A0A087WT53_HUMAN Loading...

Membrane associated guanylate kinase, WW and PDZ domain containing 1

AlphaFold DB , UniProt , Accession A0A087WT53, Species HUMAN (Homo sapiens, Human), Gene MAGI1, Length 1,155 aa.

						>A0A087WT53_HUMAN|A0A087WT53|MAGI1
MAYTENGEVYFIDHNTKTTSWLDPRCLNKQQKPLEECEDDEGVHTEELDSELELPAGWEKIEDPVYGIYYVDHINRKTQYENPVLEAKRKKQLEQQQQQQQQQQQQQQQQQQQQTEEWTEDHSALVPPVIPNHPPSNPEPAREVPLQGKPFFTRNPSELKGKFIHTKLRKSSRGFGFTVVGGDEPDEFLQIKSLVLDGPAALDGKMETGDVIVSVNDTCVLGHTHAQVVKIFQSIPIGASVDLELCRGYPLPFDPDDPNTSLVTSVAILDKEPIIVNGQETYDSPASHSSKTGKVNGMKDARPSSPADVASNSSHGYPNDTVSLASSIATQPELITVHIVKGPMGFGFTIADSPGGGGQRVKQIVDSPRCRGLKEGDLIVEVNKKNVQALTHNQVVDMLVECPKGSEVTLLVQRGGLPVPKKSPKSQPLERKDSQNSSQHSVSSHRSLHTASPSHSTQVLPEFPPAEAQAPDQTDSSGQKKPDPFKIWAQSRSMYENRLPDYQEQDIFLWRKETGFGFRILGGNEPGEPIYIGHIVPLGAADTDGRLRSGDELICVDGTPVIGKSHQLVVQLMQQAAKQGHVNLTVRRKVVFAVPKTENEVPSPASSHHSSNQPASLTEEKRTPQGSQNSLNTVSSGSGSTSGIGSGGGGGSGVVSTVVQPYDVEIRRGENEGFGFVIVSSVSRPEAGTTFGNACVAMPHKIGRIIEGSPADRCGKLKVGDRILAVNGCSITNKSHSDIVNLIKEAGNTVTLRIIPGDESSNATLLTNAEKIATITTTHTPSQQGTQETRNTTKPKQESQFEFKAPQATQEQDFYTVELERGAKGFGFSLRGGREYNMDLYVLRLAEDGPAERCGKMRIGDEILEINGETTKNMKHSRAIELIKNGGRRVRLFLKRGDGSVPEYDPSSDRHGPATGPQGVPEVRAGPDRRQHPSLESSYPPDLHKSSPHGEKRAHARDPKGSREYSRQPNEHHTWNGTSRKPDSGACRPKDRAPEGRRDAQAERAAAANGPKRRSPEKRREGTRSADNTLERREKHEKRRDVSPERRRERSPTRRRDGSPSRRRRSLERLLEQRRSPERRRGGSPERRAKSTDRRRARSPERRRERSLDKRNREDRASHREREEANLKQDAGRSSRHPPEQRRRPYKECSTDLSI
					

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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	75.4	Confident	75.5	Confident	121 Å²	121	86.3 Å²	86.3	60%	0.596	44%	0.441	S	S	*	.				0	133	0	-171.9	-177.2	176.7	0	0	107	Y3 V9 Y10 F11	M1-Y3 WeakPolarHBondContact CE-OH 3.25Å; M1-V9 HydrophobicContact CE-CB 4.48Å; M1-V9 HydrophobicContact CE-CG1 3.55Å; M1-V9 HydrophobicContact CE-CG2 4Å; M1-V9 HydrophobicContact CG-CG1 3.78Å; M1-V9 HydrophobicContact SD-CG1 4.44Å; M1-Y10 CarbonylContact C-O 3.47Å; M1-Y10 VanDerWaalsContact CA-O 3.27Å; M1-Y10 WeakPolarHBondContact CA-O 3.39Å; M1-F11 HydrophobicContact CB-CD1 4.05Å; M1-F11 HydrophobicContact CB-CE1 4.02Å; M1-F11 HydrophobicContact CG-CD1 4.25Å; M1-F11 HydrophobicContact CG-CE1 3.84Å; M1-F11 HydrophobicContact CG-CZ 4.29Å; M1-F11 HydrophobicContact SD-CE1 4.23Å
2	A	82.2	Confident	76	Confident	19 Å²	19	83.9 Å²	83.9	16%	0.157	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	172.7	-175.7	0	0	0	0	0	108	Y10 I12	A2-Y10 HydrophobicContact CB-CD1 4.25Å; A2-Y10 HydrophobicContact CB-CD2 4.3Å; A2-Y10 HydrophobicContact CB-CE1 3.79Å; A2-Y10 HydrophobicContact CB-CE2 3.87Å; A2-Y10 HydrophobicContact CB-CG 4.48Å; A2-Y10 PolarHBondContact N-O 2.82Å; A2-Y10 PolarHBondContact O-N 3.44Å; A2-I12 HydrophobicContact CB-CD1 3.94Å; A2-I12 HydrophobicContact CB-CG1 4.22Å
3	Y	83.9	Confident	75.7	Confident	140 Å²	140	81.1 Å²	81.1	55%	0.549	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.5	-175.5	-61.3	-98.2	0	0	0	109.8	M1 E8 V9	M1-Y3 WeakPolarHBondContact CE-OH 3.25Å; Y3-E8 CarbonylContact C-O 3.48Å; Y3-E8 VanDerWaalsContact CA-O 3.25Å; Y3-E8 WeakPolarHBondContact CA-O 3.23Å; Y3-V9 HydrophobicContact CD1-CG2 3.97Å; Y3-V9 HydrophobicContact CE1-CG2 3.61Å
4	T	79.3	Confident	75.4	Confident	36 Å²	36	84.5 Å²	84.5	22%	0.221	43%	0.429	C	S	.	.			trans	-71.5	171.3	170.6	63.7	0	0	0	0	111.4	N6 G7 E8 Y10 W21	T4-N6 PolarHBondContact O-N 2.98Å; T4-N6 PolarHBondContact OG1-N 3.36Å; T4-G7 PolarHBondContact O-N 2.74Å; T4-G7 PolarHBondContact OG1-N 2.67Å; T4-E8 HydrophobicContact CG2-CB 4.12Å; T4-E8 PolarHBondContact N-O 2.3Å; T4-E8 WeakPolarHBondContact OG1-CB 3.34Å; T4-E8 PolarHBondContact OG1-N 3.43Å; T4-E8 PolarHBondContact OG1-OE2 3.3Å; T4-Y10 HydrophobicContact CG2-CD1 4.11Å; T4-Y10 HydrophobicContact CG2-CE1 4.27Å; T4-W21 HydrophobicContact CG2-CH2 3.57Å; T4-W21 HydrophobicContact CG2-CZ3 3.97Å
5	E	62.6	Low	74.8	Confident	209 Å²	209	88.7 Å²	88.7	98%	0.977	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	170.5	-59.4	-175.3	167.9	0	0	112.6
6	N	66.3	Low	74.9	Confident	135 Å²	135	88.6 Å²	88.6	72%	0.722	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.5	171.7	-50.5	-35.5	0	0	0	113.3	T4 E8	T4-N6 PolarHBondContact O-N 2.98Å; T4-N6 PolarHBondContact OG1-N 3.36Å; N6-E8 HydrophobicContact CB-CG 4.19Å; N6-E8 WeakPolarHBondContact CB-OE2 3.31Å; N6-E8 PolarHBondContact ND2-OE2 2.91Å
7	G	66.1	Low	75	Confident	47 Å²	47	93.2 Å²	93.2	49%	0.485	47%	0.473	S	S	.	.			trans	89.7	8.7	-176.5	0	0	0	0	0	115.7	T4	T4-G7 PolarHBondContact O-N 2.74Å; T4-G7 PolarHBondContact OG1-N 2.67Å
8	E	68	Low	74.3	Confident	95 Å²	95	92.4 Å²	92.4	44%	0.444	47%	0.474	S	S	.	.			trans	-78.9	135	-177	-55.4	151.1	118.1	0	0	111.1	Y3 T4 N6 W21	Y3-E8 CarbonylContact C-O 3.48Å; Y3-E8 VanDerWaalsContact CA-O 3.25Å; Y3-E8 WeakPolarHBondContact CA-O 3.23Å; T4-E8 HydrophobicContact CG2-CB 4.12Å; T4-E8 PolarHBondContact N-O 2.3Å; T4-E8 WeakPolarHBondContact OG1-CB 3.34Å; T4-E8 PolarHBondContact OG1-N 3.43Å; T4-E8 PolarHBondContact OG1-OE2 3.3Å; N6-E8 HydrophobicContact CB-CG 4.19Å; N6-E8 WeakPolarHBondContact CB-OE2 3.31Å; N6-E8 PolarHBondContact ND2-OE2 2.91Å; E8-W21 HydrophobicContact CB-CZ3 3.97Å
9	V	78.4	Confident	74.7	Confident	54 Å²	54	92.4 Å²	92.4	33%	0.327	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.1	-176.7	-178.3	0	0	0	0	111.4	M1 Y3 F11	M1-V9 HydrophobicContact CE-CB 4.48Å; M1-V9 HydrophobicContact CE-CG1 3.55Å; M1-V9 HydrophobicContact CE-CG2 4Å; M1-V9 HydrophobicContact CG-CG1 3.78Å; M1-V9 HydrophobicContact SD-CG1 4.44Å; Y3-V9 HydrophobicContact CD1-CG2 3.97Å; Y3-V9 HydrophobicContact CE1-CG2 3.61Å; V9-F11 HydrophobicContact CG1-CD2 4.42Å; V9-F11 HydrophobicContact CG1-CE2 3.69Å; V9-F11 HydrophobicContact CG1-CZ 3.77Å
10	Y	83.2	Confident	74.8	Confident	65 Å²	65	89.8 Å²	89.8	26%	0.255	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.7	163.8	69.7	-82.1	0	0	0	112.4	M1 A2 T4 I12 T19	M1-Y10 CarbonylContact C-O 3.47Å; M1-Y10 VanDerWaalsContact CA-O 3.27Å; M1-Y10 WeakPolarHBondContact CA-O 3.39Å; A2-Y10 HydrophobicContact CB-CD1 4.25Å; A2-Y10 HydrophobicContact CB-CD2 4.3Å; A2-Y10 HydrophobicContact CB-CE1 3.79Å; A2-Y10 HydrophobicContact CB-CE2 3.87Å; A2-Y10 HydrophobicContact CB-CG 4.48Å; A2-Y10 PolarHBondContact N-O 2.82Å; A2-Y10 PolarHBondContact O-N 3.44Å; T4-Y10 HydrophobicContact CG2-CD1 4.11Å; T4-Y10 HydrophobicContact CG2-CE1 4.27Å; Y10-I12 HydrophobicContact CD2-CG1 4Å; Y10-I12 HydrophobicContact CE2-CD1 3.85Å; Y10-I12 HydrophobicContact CE2-CG1 3.66Å; Y10-T19 HydrophobicContact CD2-CG2 4.18Å; Y10-T19 HydrophobicContact CE2-CG2 4.04Å
11	F	85	Confident	74.9	Confident	28 Å²	28	93.2 Å²	93.2	12%	0.123	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.6	-175.4	-61.5	-93.3	0	0	0	109.5	M1 V9 T19 S20 D23 P24	M1-F11 HydrophobicContact CB-CD1 4.05Å; M1-F11 HydrophobicContact CB-CE1 4.02Å; M1-F11 HydrophobicContact CG-CD1 4.25Å; M1-F11 HydrophobicContact CG-CE1 3.84Å; M1-F11 HydrophobicContact CG-CZ 4.29Å; M1-F11 HydrophobicContact SD-CE1 4.23Å; V9-F11 HydrophobicContact CG1-CD2 4.42Å; V9-F11 HydrophobicContact CG1-CE2 3.69Å; V9-F11 HydrophobicContact CG1-CZ 3.77Å; F11-T19 CarbonylContact O-C 3.54Å; F11-T19 WeakPolarHBondContact O-CA 3.4Å; F11-S20 WeakPolarHBondContact CA-O 3.28Å; F11-S20 PolarHBondContact N-O 3Å; F11-S20 PolarHBondContact O-N 2.87Å; F11-D23 HydrophobicContact CD1-CB 4.18Å; F11-D23 HydrophobicContact CD2-CB 4.26Å; F11-D23 HydrophobicContact CE1-CB 3.84Å; F11-D23 VanDerWaalsContact CE1-OD2 3.28Å; F11-D23 WeakPolarHBondContact CE1-OD2 3.39Å; F11-D23 HydrophobicContact CE2-CB 3.93Å; F11-D23 HydrophobicContact CG-CB 4.39Å; F11-D23 HydrophobicContact CZ-CB 3.71Å; F11-P24 HydrophobicContact CB-CG 4.32Å
12	I	81.1	Confident	74.5	Confident	58 Å²	58	93.3 Å²	93.3	30%	0.297	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121	177.1	-48.6	-176.2	0	0	0	107.5	A2 Y10 H14 T19	A2-I12 HydrophobicContact CB-CD1 3.94Å; A2-I12 HydrophobicContact CB-CG1 4.22Å; Y10-I12 HydrophobicContact CD2-CG1 4Å; Y10-I12 HydrophobicContact CE2-CD1 3.85Å; Y10-I12 HydrophobicContact CE2-CG1 3.66Å; I12-H14 PolarHBondContact O-CD2 3.09Å; I12-H14 VanDerWaalsContact O-CD2 3.3Å; I12-H14 PolarHBondContact O-N 2.84Å; I12-T19 HydrophobicContact CG1-CG2 4.19Å; I12-T19 HydrophobicContact CG2-CG2 4.4Å
13	D	72.7	Confident	74	Confident	47 Å²	47	93.7 Å²	93.7	25%	0.251	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	107.2	165.3	176.5	13.8	0	0	0	108.9	N15 T16 K17 T18	D13-N15 PolarHBondContact O-N 3.15Å; D13-N15 WeakPolarHBondContact OD1-CB 3.38Å; D13-N15 PolarHBondContact OD1-N 3.25Å; D13-T16 WeakPolarHBondContact CB-OG1 3.4Å; D13-T16 VanDerWaalsContact CG-OG1 3.28Å; D13-T16 VanDerWaalsContact OD2-CB 3.26Å; D13-T16 WeakPolarHBondContact OD2-CB 3.49Å; D13-T16 WeakPolarHBondContact OD2-CG2 3.46Å; D13-T16 PolarHBondContact OD2-N 3.01Å; D13-T16 VanDerWaalsContact OD2-N 3.15Å; D13-T16 PolarHBondContact OD2-OG1 2.81Å; D13-K17 VanDerWaalsContact O-CA 3.25Å; D13-K17 WeakPolarHBondContact O-CA 3.33Å; D13-K17 PolarHBondContact O-N 2.81Å; D13-T18 PolarHBondContact N-O 2.88Å; D13-T18 PolarHBondContact O-N 3.1Å
14	H	72.1	Confident	72.9	Confident	129 Å²	129	90 Å²	90	60%	0.597	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.9	-179.7	-66.2	-94.2	0	0	0	113.4	I12 K17	I12-H14 PolarHBondContact O-CD2 3.09Å; I12-H14 VanDerWaalsContact O-CD2 3.3Å; I12-H14 PolarHBondContact O-N 2.84Å; H14-K17 WeakPolarHBondContact O-CE 3.02Å; H14-K17 PolarHBondContact O-NZ 2.77Å
15	N	66.4	Low	71.9	Confident	147 Å²	147	97.3 Å²	97.3	79%	0.786	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-58.6	175.4	-60.4	-39.9	0	0	0	111.2	D13 K17	D13-N15 PolarHBondContact O-N 3.15Å; D13-N15 WeakPolarHBondContact OD1-CB 3.38Å; D13-N15 PolarHBondContact OD1-N 3.25Å; N15-K17 VanDerWaalsContact C-N 3.29Å; N15-K17 PolarHBondContact O-N 2.82Å
16	T	75.2	Confident	71.7	Confident	88 Å²	88	91.9 Å²	91.9	54%	0.54	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11	178.5	61.7	0	0	0	0	114.3	D13 T18	D13-T16 WeakPolarHBondContact CB-OG1 3.4Å; D13-T16 VanDerWaalsContact CG-OG1 3.28Å; D13-T16 VanDerWaalsContact OD2-CB 3.26Å; D13-T16 WeakPolarHBondContact OD2-CB 3.49Å; D13-T16 WeakPolarHBondContact OD2-CG2 3.46Å; D13-T16 PolarHBondContact OD2-N 3.01Å; D13-T16 VanDerWaalsContact OD2-N 3.15Å; D13-T16 PolarHBondContact OD2-OG1 2.81Å; T16-T18 PolarHBondContact O-N 2.8Å; T16-T18 PolarHBondContact OG1-N 2.82Å; T16-T18 PolarHBondContact OG1-OG1 2.89Å
17	K	76.8	Confident	71	Confident	166 Å²	166	91.8 Å²	91.8	72%	0.722	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	23.9	-171.9	-47.3	-55.9	-178.1	-168.7	0	113.7	D13 H14 N15	D13-K17 VanDerWaalsContact O-CA 3.25Å; D13-K17 WeakPolarHBondContact O-CA 3.33Å; D13-K17 PolarHBondContact O-N 2.81Å; H14-K17 WeakPolarHBondContact O-CE 3.02Å; H14-K17 PolarHBondContact O-NZ 2.77Å; N15-K17 VanDerWaalsContact C-N 3.29Å; N15-K17 PolarHBondContact O-N 2.82Å
18	T	63.4	Low	70.1	Confident	79 Å²	79	96.6 Å²	96.6	49%	0.485	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	160.6	176.9	64.3	0	0	0	0	112	D13 T16	D13-T18 PolarHBondContact N-O 2.88Å; D13-T18 PolarHBondContact O-N 3.1Å; T16-T18 PolarHBondContact O-N 2.8Å; T16-T18 PolarHBondContact OG1-N 2.82Å; T16-T18 PolarHBondContact OG1-OG1 2.89Å
19	T	81.3	Confident	69	Low	93 Å²	93	100.8 Å²	100.8	57%	0.571	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.1	175.7	54.2	0	0	0	0	109.7	Y10 F11 I12	Y10-T19 HydrophobicContact CD2-CG2 4.18Å; Y10-T19 HydrophobicContact CE2-CG2 4.04Å; F11-T19 CarbonylContact O-C 3.54Å; F11-T19 WeakPolarHBondContact O-CA 3.4Å; I12-T19 HydrophobicContact CG1-CG2 4.19Å; I12-T19 HydrophobicContact CG2-CG2 4.4Å
20	S	76.3	Confident	67.1	Low	40 Å²	40	107.6 Å²	107.6	28%	0.28	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.2	-179.8	173.8	0	0	0	0	110.2	F11 L22	F11-S20 WeakPolarHBondContact CA-O 3.28Å; F11-S20 PolarHBondContact N-O 3Å; F11-S20 PolarHBondContact O-N 2.87Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 WeakPolarHBondContact CB-O 3.41Å; S20-L22 PolarHBondContact OG-N 2.83Å; S20-L22 VanDerWaalsContact OG-N 3.08Å; S20-L22 PolarHBondContact OG-O 2.91Å
21	W	77.3	Confident	65.1	Low	161 Å²	161	110.7 Å²	110.7	61%	0.61	55%	0.554	S	S	*	*	S	Bend	trans	-79.3	-22.6	170.7	-61.5	98.7	0	0	0	112.4	T4 E8	T4-W21 HydrophobicContact CG2-CH2 3.57Å; T4-W21 HydrophobicContact CG2-CZ3 3.97Å; E8-W21 HydrophobicContact CB-CZ3 3.97Å
22	L	67.1	Low	63.3	Low	124 Å²	124	115.8 Å²	115.8	65%	0.649	58%	0.576	S	S	*	*	S	Bend	trans	-90.7	139.3	175	-59.1	173.2	0	0	0	110.4	S20 P24	S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 WeakPolarHBondContact CB-O 3.41Å; S20-L22 PolarHBondContact OG-N 2.83Å; S20-L22 VanDerWaalsContact OG-N 3.08Å; S20-L22 PolarHBondContact OG-O 2.91Å; L22-P24 WeakPolarHBondContact O-CD 3.36Å
23	D	71.3	Confident	61.8	Low	27 Å²	27	116.6 Å²	116.6	14%	0.144	59%	0.585	C	S	.	*			trans	-65.7	119.7	176.6	-169.7	-35.2	0	0	0	110.6	F11 R25 C26	F11-D23 HydrophobicContact CD1-CB 4.18Å; F11-D23 HydrophobicContact CD2-CB 4.26Å; F11-D23 HydrophobicContact CE1-CB 3.84Å; F11-D23 VanDerWaalsContact CE1-OD2 3.28Å; F11-D23 WeakPolarHBondContact CE1-OD2 3.39Å; F11-D23 HydrophobicContact CE2-CB 3.93Å; F11-D23 HydrophobicContact CG-CB 4.39Å; F11-D23 HydrophobicContact CZ-CB 3.71Å; D23-R25 PolarHBondContact O-N 2.81Å; D23-R25 VanDerWaalsContact OD1-CB 3.25Å; D23-R25 WeakPolarHBondContact OD1-CB 3.44Å; D23-R25 VanDerWaalsContact OD1-CG 3.29Å; D23-R25 WeakPolarHBondContact OD1-CG 3.43Å; D23-R25 IonicContact OD1-CZ 2.8Å; D23-R25 PolarHBondContact OD1-N 3.28Å; D23-R25 IonicContact OD1-NE 3.18Å; D23-R25 PolarHBondContact OD1-NE 2.92Å; D23-R25 IonicContact OD1-NH2 2.81Å; D23-R25 IonicContact OD2-CZ 3.87Å; D23-R25 VanDerWaalsContact OD2-CZ 3.26Å; D23-R25 IonicContact OD2-NE 3.28Å; D23-R25 PolarHBondContact OD2-NE 3.26Å; D23-R25 VanDerWaalsContact OD2-NE 3.08Å; D23-R25 IonicContact OD2-NH2 3.71Å; D23-R25 PolarHBondContact OD2-NH2 3.11Å; D23-C26 PolarHBondContact O-N 3.18Å
24	P	60.8	Low	60.7	Low	63 Å²	63	118.5 Å²	118.5	41%	0.409	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.8	-21.7	-179.7	-26.6	35.7	0	0	0	114.3	F11 L22 C26	F11-P24 HydrophobicContact CB-CG 4.32Å; L22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-C26 VanDerWaalsContact C-N 3.32Å
25	R	59.5	Low	59.7	Low	189 Å²	189	117.9 Å²	117.9	71%	0.713	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-21.9	179.2	-58.6	174.3	-68.8	174.6	2.7	113	D23	D23-R25 PolarHBondContact O-N 2.81Å; D23-R25 VanDerWaalsContact OD1-CB 3.25Å; D23-R25 WeakPolarHBondContact OD1-CB 3.44Å; D23-R25 VanDerWaalsContact OD1-CG 3.29Å; D23-R25 WeakPolarHBondContact OD1-CG 3.43Å; D23-R25 IonicContact OD1-CZ 2.8Å; D23-R25 PolarHBondContact OD1-N 3.28Å; D23-R25 IonicContact OD1-NE 3.18Å; D23-R25 PolarHBondContact OD1-NE 2.92Å; D23-R25 IonicContact OD1-NH2 2.81Å; D23-R25 IonicContact OD2-CZ 3.87Å; D23-R25 VanDerWaalsContact OD2-CZ 3.26Å; D23-R25 IonicContact OD2-NE 3.28Å; D23-R25 PolarHBondContact OD2-NE 3.26Å; D23-R25 VanDerWaalsContact OD2-NE 3.08Å; D23-R25 IonicContact OD2-NH2 3.71Å; D23-R25 PolarHBondContact OD2-NH2 3.11Å
26	C	57.7	Low	58.6	Low	94 Å²	94	115.4 Å²	115.4	64%	0.635	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-80.3	-25.8	179.6	-67.2	0	0	0	0	113.1	D23 P24 N28	D23-C26 PolarHBondContact O-N 3.18Å; P24-C26 VanDerWaalsContact C-N 3.32Å; C26-N28 PolarHBondContact O-N 2.87Å; C26-N28 VanDerWaalsContact O-N 3.11Å
27	L	52.4	Low	57	Low	134 Å²	134	113.2 Å²	113.2	70%	0.702	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-67.3	-8.6	-178.4	-76.1	165.5	0	0	0	114.7
28	N	45.7	Very low	55.5	Low	148 Å²	148	113.5 Å²	113.5	79%	0.791	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-117.5	17	-166.2	-143.9	86.5	0	0	0	114.6	C26	C26-N28 PolarHBondContact O-N 2.87Å; C26-N28 VanDerWaalsContact O-N 3.11Å
29	K	44.8	Very low	54.5	Low	183 Å²	183	114.1 Å²	114.1	80%	0.796	57%	0.568	S	S	*	*	S	Bend	trans	-92.6	131.2	166.4	-72.7	-173.7	176.8	-177.3	0	109.8	Q31	K29-Q31 PolarHBondContact O-N 3.06Å
30	Q	39.2	Very low	52.2	Low	197 Å²	197	117.3 Å²	117.3	92%	0.921	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-66.5	131	171.6	-71.3	176.9	-31.3	0	0	109.9
31	Q	40.4	Very low	50.8	Low	130 Å²	130	124.5 Å²	124.5	61%	0.607	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-75.3	133	172.2	-71.2	172.1	-43.6	0	0	110	K29 A56 I74	K29-Q31 PolarHBondContact O-N 3.06Å; Q31-A56 PolarHBondContact NE2-O 3.48Å; Q31-I74 VanDerWaalsContact NE2-CD1 3.26Å
32	K	47	Very low	48.6	Very low	135 Å²	135	118 Å²	118	59%	0.587	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-68.1	158	160.6	-90	-178.8	161.7	-120.4	0	110	E36	K32-E36 HydrophobicContact CD-CB 4.32Å; K32-E36 WeakPolarHBondContact CE-OE2 3.23Å; K32-E36 IonicContact NZ-OE2 3.27Å; K32-E36 PolarHBondContact NZ-OE2 2.69Å
33	P	50	Low	47	Very low	75 Å²	75	117.2 Å²	117.2	49%	0.487	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-58.1	147.3	168.5	-20.9	33.3	0	0	0	111.8	E35 E36	P33-E35 PolarHBondContact O-N 3.41Å; P33-E36 PolarHBondContact O-N 3.02Å; P33-E36 VanDerWaalsContact O-N 3.14Å
34	L	50.6	Low	45	Very low	87 Å²	87	122.4 Å²	122.4	46%	0.455	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.2	-10.5	178.3	-62.2	169.7	0	0	0	114.2	P55	L34-P55 HydrophobicContact CD2-CB 3.64Å; L34-P55 HydrophobicContact CD2-CG 3.52Å
35	E	49.7	Very low	43.8	Very low	115 Å²	115	124.1 Å²	124.1	54%	0.537	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	-4.6	-174.2	-59.2	169.2	-141.1	0	0	113.6	P33 K91	P33-E35 PolarHBondContact O-N 3.41Å; E35-K91 HydrophobicContact CB-CD 4.43Å; E35-K91 HydrophobicContact CG-CD 4.24Å; E35-K91 WeakPolarHBondContact OE2-CD 3.46Å; E35-K91 WeakPolarHBondContact OE2-CE 3.24Å; E35-K91 IonicContact OE2-NZ 3.63Å; E35-K91 PolarHBondContact OE2-NZ 3.08Å
36	E	44	Very low	42.9	Very low	95 Å²	95	123.9 Å²	123.9	44%	0.444	63%	0.633	S	S	.	*			trans	-107.3	19.6	176.8	-64.7	-171.5	-177.3	0	0	112.8	K32 P33 E38	K32-E36 HydrophobicContact CD-CB 4.32Å; K32-E36 WeakPolarHBondContact CE-OE2 3.23Å; K32-E36 IonicContact NZ-OE2 3.27Å; K32-E36 PolarHBondContact NZ-OE2 2.69Å; P33-E36 PolarHBondContact O-N 3.02Å; P33-E36 VanDerWaalsContact O-N 3.14Å; E36-E38 VanDerWaalsContact C-N 3.27Å; E36-E38 PolarHBondContact O-N 2.98Å; E36-E38 VanDerWaalsContact O-N 3.13Å
37	C	41.3	Very low	41.9	Very low	43 Å²	43	129.1 Å²	129.1	29%	0.291	65%	0.649	S	S	.	*			trans	-80.7	81.3	165.2	-60.4	0	0	0	0	107.8	V84 K88	C37-V84 HydrophobicContact CB-CG1 4.46Å; C37-K88 PolarHBondContact O-NZ 2.94Å
38	E	46	Very low	41.1	Very low	171 Å²	171	130 Å²	130	80%	0.799	65%	0.653	S	S	*	*			trans	-71.5	142.3	-177.3	-67.4	-177.4	110.3	0	0	111.7	E36	E36-E38 VanDerWaalsContact C-N 3.27Å; E36-E38 PolarHBondContact O-N 2.98Å; E36-E38 VanDerWaalsContact O-N 3.13Å
39	D	41.8	Very low	40.7	Very low	93 Å²	93	130.6 Å²	130.6	50%	0.497	66%	0.656	S	S	.	*			trans	-87.8	113.9	177.6	-43.9	-81.3	0	0	0	108.9	E41 L52 K88	D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.9Å; D39-E41 VanDerWaalsContact O-N 3.08Å; D39-L52 WeakPolarHBondContact OD1-CD2 3.42Å; D39-K88 IonicContact OD1-NZ 3.18Å; D39-K88 PolarHBondContact OD1-NZ 2.94Å; D39-K88 IonicContact OD2-NZ 2.75Å; D39-K88 PolarHBondContact OD2-NZ 3.15Å
40	D	34	Very low	40.5	Very low	160 Å²	160	125.9 Å²	125.9	86%	0.856	65%	0.647	S	S	*	*			trans	-82.3	79.5	174.3	-160	38.8	0	0	0	109.5	G42	D40-G42 PolarHBondContact O-N 2.8Å
41	E	46.2	Very low	40.8	Very low	190 Å²	190	123.3 Å²	123.3	89%	0.888	64%	0.635	S	S	*	*			trans	-65.5	97.2	-179.3	-74.3	-155.6	139.2	0	0	111.8	D39	D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.9Å; D39-E41 VanDerWaalsContact O-N 3.08Å
42	G	30.5	Very low	41.5	Very low	26 Å²	26	119.4 Å²	119.4	27%	0.268	62%	0.618	S	S	.	*			trans	-114.8	-1	-167.1	0	0	0	0	0	118.6	D40 Y939	D40-G42 PolarHBondContact O-N 2.8Å; G42-Y939 WeakPolarHBondContact O-CE1 2.92Å; G42-Y939 VanDerWaalsContact O-CZ 3.3Å; G42-Y939 PolarHBondContact O-OH 2.98Å
43	V	33.8	Very low	42	Very low	107 Å²	107	121.6 Å²	121.6	65%	0.648	63%	0.63	S	S	*	*			trans	59.4	104.2	171	-167.6	0	0	0	0	117
44	H	28.7	Very low	43	Very low	135 Å²	135	119.7 Å²	119.7	63%	0.625	62%	0.615	S	S	*	*				-172.4	122.2	114.5	-116.5	-76.3	0	0	0	115.9
45	T	36.4	Very low	43.8	Very low	100 Å²	100	116.3 Å²	116.3	61%	0.613	60%	0.599	S	S	*	*			trans	39.5	114.1	146.5	46.9	0	0	0	0	122.2
46	E	41.5	Very low	44.2	Very low	183 Å²	183	114.3 Å²	114.3	86%	0.855	60%	0.602	S	S	*	*	S	Bend	trans	80.3	140.3	147.5	-60.2	178.5	-136.4	0	0	117.5
47	E	35.1	Very low	45.3	Very low	204 Å²	204	111.1 Å²	111.1	95%	0.953	60%	0.595	S	S	*	*			trans	57.6	90.1	-160.7	-58.3	-163.4	167.7	0	0	114.4
48	L	37.5	Very low	47.2	Very low	152 Å²	152	111 Å²	111	80%	0.796	59%	0.588	S	S	*	*			trans	-124.9	101.9	-176.6	-166.2	86.9	0	0	0	111.9	S50	L48-S50 VanDerWaalsContact CD1-OG 3.25Å; L48-S50 WeakPolarHBondContact CD1-OG 3.44Å
49	D	37.1	Very low	48.9	Very low	161 Å²	161	107.3 Å²	107.3	86%	0.861	57%	0.571	S	S	*	*			trans	-141.6	76.5	158.1	-145.8	-3.5	0	0	0	108.1
50	S	38.9	Very low	50.9	Low	84 Å²	84	105.5 Å²	105.5	59%	0.587	56%	0.558	S	S	*	*			trans	-74.8	136.7	-153.9	-53.6	0	0	0	0	115.4	L48 L52	L48-S50 VanDerWaalsContact CD1-OG 3.25Å; L48-S50 WeakPolarHBondContact CD1-OG 3.44Å; S50-L52 PolarHBondContact O-N 2.9Å; S50-L52 VanDerWaalsContact O-N 3.14Å
51	E	46.5	Very low	53.2	Low	144 Å²	144	100.2 Å²	100.2	67%	0.673	53%	0.53	S	S	*	.			trans	-74	100.5	167.5	-56.8	-154.2	113.3	0	0	111.3	E53 K60	E51-E53 PolarHBondContact O-N 2.75Å; E51-K60 WeakPolarHBondContact OE1-CD 3.27Å; E51-K60 IonicContact OE1-NZ 2.7Å; E51-K60 PolarHBondContact OE1-NZ 3.25Å
52	L	55.1	Low	54.5	Low	48 Å²	48	96.8 Å²	96.8	25%	0.251	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-68.1	119.9	162.5	-79.4	165.4	0	0	0	109.3	D39 S50 L54 L85	D39-L52 WeakPolarHBondContact OD1-CD2 3.42Å; S50-L52 PolarHBondContact O-N 2.9Å; S50-L52 VanDerWaalsContact O-N 3.14Å; L52-L54 PolarHBondContact O-N 2.77Å; L52-L85 HydrophobicContact CD1-CD1 4.42Å; L52-L85 HydrophobicContact CD1-CD2 3.47Å; L52-L85 VanDerWaalsContact CD1-CD2 3.47Å; L52-L85 HydrophobicContact CD1-CG 3.78Å
53	E	56.6	Low	56.7	Low	180 Å²	180	97.7 Å²	97.7	84%	0.841	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-57.1	125.6	-178.7	-169.6	179.3	-150.3	0	0	110.7	E51	E51-E53 PolarHBondContact O-N 2.75Å
54	L	71.3	Confident	58.1	Low	35 Å²	35	99 Å²	99	18%	0.183	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-83	142.9	-170.8	-72.4	174.9	0	0	0	112.4	L52 W58 K60 Y70 P83 V84	L52-L54 PolarHBondContact O-N 2.77Å; L54-W58 HydrophobicContact CB-CB 3.96Å; L54-W58 HydrophobicContact CD1-CB 4.44Å; L54-K60 HydrophobicContact CD1-CB 3.78Å; L54-K60 VanDerWaalsContact CD1-N 3.28Å; L54-Y70 HydrophobicContact CD1-CD1 3.7Å; L54-Y70 HydrophobicContact CD1-CE1 4.06Å; L54-Y70 HydrophobicContact CD2-CD1 3.7Å; L54-Y70 HydrophobicContact CD2-CE1 3.91Å; L54-Y70 HydrophobicContact CG-CD1 4.33Å; L54-Y70 HydrophobicContact CG-CE1 4.47Å; L54-P83 HydrophobicContact CD2-CG 4Å; L54-V84 HydrophobicContact CD2-CG2 4.49Å
55	P	67.2	Low	59.5	Low	16 Å²	16	98.1 Å²	98.1	10%	0.104	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-58.8	141	179.1	-23.2	33.1	0	0	0	112.2	L34 G57 W58 V84	L34-P55 HydrophobicContact CD2-CB 3.64Å; L34-P55 HydrophobicContact CD2-CG 3.52Å; P55-G57 PolarHBondContact O-N 3.5Å; P55-W58 WeakPolarHBondContact O-CB 3.31Å; P55-W58 PolarHBondContact O-N 2.57Å; P55-V84 HydrophobicContact CG-CG2 4.04Å
56	A	58.9	Low	60.5	Low	74 Å²	74	99.5 Å²	99.5	61%	0.612	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	112.7	-175.5	0	0	0	0	0	112.8	Q31 I74	Q31-A56 PolarHBondContact NE2-O 3.48Å; A56-I74 WeakPolarHBondContact O-CD1 3.48Å
57	G	67.3	Low	61.9	Low	28 Å²	28	92.4 Å²	92.4	29%	0.289	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	115.6	-14.6	-172.3	0	0	0	0	0	114.2	P55 H73	P55-G57 PolarHBondContact O-N 3.5Å; G57-H73 WeakPolarHBondContact O-CB 3.29Å; G57-H73 PolarHBondContact O-N 2.76Å
58	W	80.1	Confident	64.2	Low	41 Å²	41	86.1 Å²	86.1	16%	0.155	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.9	174.5	-70.5	79.6	0	0	0	111.8	L54 P55 V71 D72 Q79 P83	L54-W58 HydrophobicContact CB-CB 3.96Å; L54-W58 HydrophobicContact CD1-CB 4.44Å; P55-W58 WeakPolarHBondContact O-CB 3.31Å; P55-W58 PolarHBondContact O-N 2.57Å; W58-V71 CarbonylContact C-O 3.58Å; W58-V71 VanDerWaalsContact CA-O 3.25Å; W58-V71 WeakPolarHBondContact CA-O 3.39Å; W58-D72 HydrophobicContact CD2-CB 3.7Å; W58-D72 HydrophobicContact CE3-CB 3.84Å; W58-D72 HydrophobicContact CG-CB 4.41Å; W58-D72 HydrophobicContact CH2-CB 3.83Å; W58-D72 HydrophobicContact CZ2-CB 3.64Å; W58-D72 WeakPolarHBondContact CZ2-OD2 3.09Å; W58-D72 HydrophobicContact CZ3-CB 3.91Å; W58-D72 PolarHBondContact NE1-OD2 3.17Å; W58-Q79 HydrophobicContact CH2-CG 4.15Å; W58-Q79 HydrophobicContact CZ3-CG 3.82Å; W58-P83 HydrophobicContact CD2-CB 4.24Å; W58-P83 HydrophobicContact CD2-CG 3.79Å; W58-P83 HydrophobicContact CE3-CB 4.13Å; W58-P83 HydrophobicContact CE3-CG 3.61Å; W58-P83 HydrophobicContact CG-CG 4.38Å; W58-P83 HydrophobicContact CH2-CB 3.73Å; W58-P83 HydrophobicContact CH2-CG 4.16Å; W58-P83 HydrophobicContact CZ2-CB 3.88Å; W58-P83 HydrophobicContact CZ2-CG 4.35Å; W58-P83 HydrophobicContact CZ3-CB 3.86Å; W58-P83 HydrophobicContact CZ3-CG 3.8Å
59	E	82.5	Confident	66.3	Low	93 Å²	93	81.1 Å²	81.1	44%	0.435	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.1	177.7	-179.9	173.5	-134.6	0	0	110.3	I61 Y70 V71 H73	E59-I61 HydrophobicContact CG-CG1 4.13Å; E59-Y70 CarbonylContact O-C 3.6Å; E59-Y70 WeakPolarHBondContact O-CA 3.43Å; E59-V71 PolarHBondContact N-O 2.6Å; E59-V71 PolarHBondContact O-N 3.26Å; E59-H73 IonicContact OE2-CD2 3.16Å; E59-H73 IonicContact OE2-CE1 3.08Å; E59-H73 PolarHBondContact OE2-CE1 3.19Å; E59-H73 IonicContact OE2-NE2 2.99Å; E59-H73 PolarHBondContact OE2-NE2 3.29Å
60	K	84.4	Confident	68.7	Low	54 Å²	54	74.8 Å²	74.8	24%	0.235	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125	169.4	-169.8	-167.4	-175.7	-160.3	0	107.4	E51 L54 E62 I68 Y70	E51-K60 WeakPolarHBondContact OE1-CD 3.27Å; E51-K60 IonicContact OE1-NZ 2.7Å; E51-K60 PolarHBondContact OE1-NZ 3.25Å; L54-K60 HydrophobicContact CD1-CB 3.78Å; L54-K60 VanDerWaalsContact CD1-N 3.28Å; K60-E62 HydrophobicContact CD-CG 4.44Å; K60-E62 WeakPolarHBondContact CE-OE1 3.5Å; K60-E62 IonicContact NZ-OE1 2.72Å; K60-E62 PolarHBondContact NZ-OE1 2.85Å; K60-I68 HydrophobicContact CD-CG2 4.39Å; K60-I68 HydrophobicContact CG-CG2 3.89Å; K60-Y70 HydrophobicContact CB-CE1 4.32Å; K60-Y70 HydrophobicContact CG-CE1 3.98Å
61	I	82.6	Confident	70.7	Confident	50 Å²	50	71.6 Å²	71.6	26%	0.256	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.4	172.4	-56.5	-171.5	0	0	0	107.8	E59 I68 Y69 V71	E59-I61 HydrophobicContact CG-CG1 4.13Å; I61-I68 WeakPolarHBondContact O-CA 3.33Å; I61-Y69 HydrophobicContact CB-CD2 4.25Å; I61-Y69 HydrophobicContact CB-CE1 4.21Å; I61-Y69 HydrophobicContact CB-CE2 3.85Å; I61-Y69 HydrophobicContact CD1-CE2 3.97Å; I61-Y69 HydrophobicContact CG1-CE2 4.28Å; I61-Y69 HydrophobicContact CG2-CE1 4Å; I61-Y69 HydrophobicContact CG2-CE2 4.23Å; I61-Y69 PolarHBondContact N-O 2.7Å; I61-Y69 PolarHBondContact O-N 2.83Å; I61-V71 HydrophobicContact CD1-CB 4.48Å; I61-V71 HydrophobicContact CD1-CG2 3.57Å; I61-V71 HydrophobicContact CG1-CG2 3.99Å
62	E	72.7	Confident	72.4	Confident	118 Å²	118	65 Å²	65	55%	0.551	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	99.1	172.7	-53.4	-161.4	149.6	0	0	108.6	K60 I68	K60-E62 HydrophobicContact CD-CG 4.44Å; K60-E62 WeakPolarHBondContact CE-OE1 3.5Å; K60-E62 IonicContact NZ-OE1 2.72Å; K60-E62 PolarHBondContact NZ-OE1 2.85Å; E62-I68 HydrophobicContact CB-CG1 4.49Å; E62-I68 HydrophobicContact CG-CD1 4.47Å; E62-I68 HydrophobicContact CG-CG1 4.03Å; E62-I68 HydrophobicContact CG-CG2 4.47Å; E62-I68 WeakPolarHBondContact OE1-CD1 3.16Å
63	D	77	Confident	73	Confident	44 Å²	44	67.5 Å²	67.5	24%	0.235	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.1	-177.5	-176.1	-76.7	0	0	0	111	V65 Y66 G67 Y69	D63-V65 PolarHBondContact O-N 3.06Å; D63-V65 VanDerWaalsContact O-N 3.09Å; D63-V65 WeakPolarHBondContact OD1-CA 3.18Å; D63-V65 VanDerWaalsContact OD1-CB 3.31Å; D63-V65 WeakPolarHBondContact OD1-CB 3.49Å; D63-V65 PolarHBondContact OD1-N 3.03Å; D63-Y66 HydrophobicContact CB-CD2 4.49Å; D63-Y66 PolarHBondContact O-N 2.9Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.29Å; D63-Y66 PolarHBondContact OD1-N 2.85Å; D63-G67 PolarHBondContact N-O 3.22Å; D63-G67 VanDerWaalsContact O-CA 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.26Å; D63-G67 PolarHBondContact O-N 2.93Å; D63-Y69 HydrophobicContact CB-CD1 4.46Å; D63-Y69 HydrophobicContact CB-CE1 3.73Å
64	P	61.8	Low	73.7	Confident	135 Å²	135	63.6 Å²	63.6	88%	0.877	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	-179.1	-24.9	35	0	0	0	116.1
65	V	58.4	Low	73.6	Confident	116 Å²	116	67.1 Å²	67.1	70%	0.703	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-41.1	-179.4	-175.8	0	0	0	0	111.1	D63	D63-V65 PolarHBondContact O-N 3.06Å; D63-V65 VanDerWaalsContact O-N 3.09Å; D63-V65 WeakPolarHBondContact OD1-CA 3.18Å; D63-V65 VanDerWaalsContact OD1-CB 3.31Å; D63-V65 WeakPolarHBondContact OD1-CB 3.49Å; D63-V65 PolarHBondContact OD1-N 3.03Å
66	Y	57.4	Low	73.9	Confident	129 Å²	129	77.2 Å²	77.2	51%	0.506	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.9	-174.4	-58.7	-71.4	0	0	0	114.6	D63 Y80	D63-Y66 HydrophobicContact CB-CD2 4.49Å; D63-Y66 PolarHBondContact O-N 2.9Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.29Å; D63-Y66 PolarHBondContact OD1-N 2.85Å; Y66-Y80 WeakPolarHBondContact O-CE1 3.46Å
67	G	72.3	Confident	74.6	Confident	35 Å²	35	79.8 Å²	79.8	36%	0.361	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.9	-159.9	-176.4	0	0	0	0	0	112.9	D63	D63-G67 PolarHBondContact N-O 3.22Å; D63-G67 VanDerWaalsContact O-CA 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.26Å; D63-G67 PolarHBondContact O-N 2.93Å
68	I	82.2	Confident	75.4	Confident	72 Å²	72	83.2 Å²	83.2	37%	0.369	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.7	179.6	-52.5	-178.6	0	0	0	109.7	K60 I61 E62 Y70	K60-I68 HydrophobicContact CD-CG2 4.39Å; K60-I68 HydrophobicContact CG-CG2 3.89Å; I61-I68 WeakPolarHBondContact O-CA 3.33Å; E62-I68 HydrophobicContact CB-CG1 4.49Å; E62-I68 HydrophobicContact CG-CD1 4.47Å; E62-I68 HydrophobicContact CG-CG1 4.03Å; E62-I68 HydrophobicContact CG-CG2 4.47Å; E62-I68 WeakPolarHBondContact OE1-CD1 3.16Å; I68-Y70 HydrophobicContact CG2-CE2 4.1Å
69	Y	81.6	Confident	75.4	Confident	47 Å²	47	83.7 Å²	83.7	18%	0.184	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	169.6	169.9	64.9	-92.4	0	0	0	112.4	I61 D63 V71 Y80	I61-Y69 HydrophobicContact CB-CD2 4.25Å; I61-Y69 HydrophobicContact CB-CE1 4.21Å; I61-Y69 HydrophobicContact CB-CE2 3.85Å; I61-Y69 HydrophobicContact CD1-CE2 3.97Å; I61-Y69 HydrophobicContact CG1-CE2 4.28Å; I61-Y69 HydrophobicContact CG2-CE1 4Å; I61-Y69 HydrophobicContact CG2-CE2 4.23Å; I61-Y69 PolarHBondContact N-O 2.7Å; I61-Y69 PolarHBondContact O-N 2.83Å; D63-Y69 HydrophobicContact CB-CD1 4.46Å; D63-Y69 HydrophobicContact CB-CE1 3.73Å; Y69-V71 HydrophobicContact CD2-CG2 3.76Å; Y69-V71 HydrophobicContact CE2-CG2 3.59Å; Y69-Y80 HydrophobicContact CD1-CE1 4.2Å; Y69-Y80 HydrophobicContact CG-CE1 4.36Å
70	Y	87.3	Confident	75.5	Confident	28 Å²	28	86.2 Å²	86.2	11%	0.11	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128	-168.5	-60.6	-89.2	0	0	0	110.1	L54 E59 K60 I68 T78 Q79 N82	L54-Y70 HydrophobicContact CD1-CD1 3.7Å; L54-Y70 HydrophobicContact CD1-CE1 4.06Å; L54-Y70 HydrophobicContact CD2-CD1 3.7Å; L54-Y70 HydrophobicContact CD2-CE1 3.91Å; L54-Y70 HydrophobicContact CG-CD1 4.33Å; L54-Y70 HydrophobicContact CG-CE1 4.47Å; E59-Y70 CarbonylContact O-C 3.6Å; E59-Y70 WeakPolarHBondContact O-CA 3.43Å; K60-Y70 HydrophobicContact CB-CE1 4.32Å; K60-Y70 HydrophobicContact CG-CE1 3.98Å; I68-Y70 HydrophobicContact CG2-CE2 4.1Å; Y70-T78 CarbonylContact O-C 3.54Å; Y70-T78 WeakPolarHBondContact O-CA 3.47Å; Y70-Q79 WeakPolarHBondContact CB-O 3.02Å; Y70-Q79 PolarHBondContact N-O 2.9Å; Y70-Q79 PolarHBondContact O-N 3.18Å; Y70-N82 HydrophobicContact CD2-CB 4.27Å; Y70-N82 HydrophobicContact CE1-CB 3.98Å; Y70-N82 WeakPolarHBondContact CE1-ND2 3.19Å; Y70-N82 HydrophobicContact CE2-CB 3.72Å; Y70-N82 PolarHBondContact OH-ND2 2.96Å
71	V	82.3	Confident	75.2	Confident	16 Å²	16	89 Å²	89	10%	0.097	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.8	-173.1	-177.7	0	0	0	0	110.7	W58 E59 I61 Y69 H73 K77 T78	W58-V71 CarbonylContact C-O 3.58Å; W58-V71 VanDerWaalsContact CA-O 3.25Å; W58-V71 WeakPolarHBondContact CA-O 3.39Å; E59-V71 PolarHBondContact N-O 2.6Å; E59-V71 PolarHBondContact O-N 3.26Å; I61-V71 HydrophobicContact CD1-CB 4.48Å; I61-V71 HydrophobicContact CD1-CG2 3.57Å; I61-V71 HydrophobicContact CG1-CG2 3.99Å; Y69-V71 HydrophobicContact CD2-CG2 3.76Å; Y69-V71 HydrophobicContact CE2-CG2 3.59Å; V71-H73 PolarHBondContact O-N 3.11Å; V71-K77 CarbonylContact C-O 3.59Å; V71-K77 WeakPolarHBondContact CA-O 3.2Å; V71-T78 HydrophobicContact CB-CG2 4.41Å; V71-T78 HydrophobicContact CG1-CG2 4.12Å; V71-T78 HydrophobicContact CG2-CG2 3.89Å
72	D	82.1	Confident	75.2	Confident	6 Å²	6	87.3 Å²	87.3	3%	0.032	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	102.5	168.2	-171.9	-27.5	0	0	0	109.4	W58 I74 N75 R76 K77	W58-D72 HydrophobicContact CD2-CB 3.7Å; W58-D72 HydrophobicContact CE3-CB 3.84Å; W58-D72 HydrophobicContact CG-CB 4.41Å; W58-D72 HydrophobicContact CH2-CB 3.83Å; W58-D72 HydrophobicContact CZ2-CB 3.64Å; W58-D72 WeakPolarHBondContact CZ2-OD2 3.09Å; W58-D72 HydrophobicContact CZ3-CB 3.91Å; W58-D72 PolarHBondContact NE1-OD2 3.17Å; D72-I74 VanDerWaalsContact C-N 3.28Å; D72-I74 PolarHBondContact O-N 3.07Å; D72-I74 WeakPolarHBondContact OD1-CA 3.49Å; D72-I74 WeakPolarHBondContact OD1-CB 3.45Å; D72-I74 PolarHBondContact OD1-N 3.11Å; D72-N75 PolarHBondContact OD1-N 2.9Å; D72-N75 WeakPolarHBondContact OD2-CB 3.36Å; D72-N75 PolarHBondContact OD2-ND2 3.16Å; D72-R76 CarbonylContact O-C 3.5Å; D72-R76 WeakPolarHBondContact O-CA 3.43Å; D72-R76 PolarHBondContact O-N 2.78Å; D72-K77 HydrophobicContact CB-CB 4.34Å; D72-K77 PolarHBondContact N-O 3.04Å; D72-K77 PolarHBondContact O-N 2.82Å
73	H	67.2	Low	75.4	Confident	101 Å²	101	82.2 Å²	82.2	47%	0.468	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.2	177.7	-70.1	-76.1	0	0	0	113.7	G57 E59 V71	G57-H73 WeakPolarHBondContact O-CB 3.29Å; G57-H73 PolarHBondContact O-N 2.76Å; E59-H73 IonicContact OE2-CD2 3.16Å; E59-H73 IonicContact OE2-CE1 3.08Å; E59-H73 PolarHBondContact OE2-CE1 3.19Å; E59-H73 IonicContact OE2-NE2 2.99Å; E59-H73 PolarHBondContact OE2-NE2 3.29Å; V71-H73 PolarHBondContact O-N 3.11Å
74	I	70.9	Confident	75.4	Confident	98 Å²	98	80.2 Å²	80.2	50%	0.503	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-51.3	-179.3	-63.9	176.3	0	0	0	109.8	Q31 A56 D72	Q31-I74 VanDerWaalsContact NE2-CD1 3.26Å; A56-I74 WeakPolarHBondContact O-CD1 3.48Å; D72-I74 VanDerWaalsContact C-N 3.28Å; D72-I74 PolarHBondContact O-N 3.07Å; D72-I74 WeakPolarHBondContact OD1-CA 3.49Å; D72-I74 WeakPolarHBondContact OD1-CB 3.45Å; D72-I74 PolarHBondContact OD1-N 3.11Å
75	N	69.7	Low	76	Confident	109 Å²	109	77.9 Å²	77.9	58%	0.583	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.7	176.8	-63.2	-71	0	0	0	113.4	D72 K77	D72-N75 PolarHBondContact OD1-N 2.9Å; D72-N75 WeakPolarHBondContact OD2-CB 3.36Å; D72-N75 PolarHBondContact OD2-ND2 3.16Å; N75-K77 HydrophobicContact CB-CG 4.47Å
76	R	73.3	Confident	77	Confident	227 Å²	227	76.7 Å²	76.7	86%	0.857	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	55.8	-178.3	-58.8	-174.7	-179.6	-164.4	-1.2	112.5	D72	D72-R76 CarbonylContact O-C 3.5Å; D72-R76 WeakPolarHBondContact O-CA 3.43Å; D72-R76 PolarHBondContact O-N 2.78Å
77	K	74.1	Confident	77.8	Confident	129 Å²	129	71.7 Å²	71.7	56%	0.561	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.9	178.9	-69.9	-177.7	176.4	-178.9	0	110.9	V71 D72 N75	V71-K77 CarbonylContact C-O 3.59Å; V71-K77 WeakPolarHBondContact CA-O 3.2Å; D72-K77 HydrophobicContact CB-CB 4.34Å; D72-K77 PolarHBondContact N-O 3.04Å; D72-K77 PolarHBondContact O-N 2.82Å; N75-K77 HydrophobicContact CB-CG 4.47Å
78	T	82.9	Confident	77.9	Confident	100 Å²	100	72.9 Å²	72.9	61%	0.613	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.2	173.7	59	0	0	0	0	109.2	Y70 V71	Y70-T78 CarbonylContact O-C 3.54Å; Y70-T78 WeakPolarHBondContact O-CA 3.47Å; V71-T78 HydrophobicContact CB-CG2 4.41Å; V71-T78 HydrophobicContact CG1-CG2 4.12Å; V71-T78 HydrophobicContact CG2-CG2 3.89Å
79	Q	81.7	Confident	77.7	Confident	50 Å²	50	76 Å²	76	23%	0.234	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.2	176.7	55.2	-177.7	74.4	0	0	111.1	W58 Y70 E81 E86	W58-Q79 HydrophobicContact CH2-CG 4.15Å; W58-Q79 HydrophobicContact CZ3-CG 3.82Å; Y70-Q79 WeakPolarHBondContact CB-O 3.02Å; Y70-Q79 PolarHBondContact N-O 2.9Å; Y70-Q79 PolarHBondContact O-N 3.18Å; Q79-E81 PolarHBondContact NE2-O 2.89Å; Q79-E86 PolarHBondContact NE2-OE2 3.26Å
80	Y	83.9	Confident	77.4	Confident	146 Å²	146	80.6 Å²	80.6	57%	0.573	37%	0.371	S	S	*	.	S	Bend	trans	-79.2	-21.3	-179.4	-66.2	-87.4	0	0	0	112.8	Y66 Y69	Y66-Y80 WeakPolarHBondContact O-CE1 3.46Å; Y69-Y80 HydrophobicContact CD1-CE1 4.2Å; Y69-Y80 HydrophobicContact CG-CE1 4.36Å
81	E	77.6	Confident	76.8	Confident	114 Å²	114	83.3 Å²	83.3	53%	0.533	38%	0.384	S	S	.	.	S	Bend	trans	-90.8	131.9	178.7	-67.2	175.9	100.7	0	0	110.8	Q79 R89	Q79-E81 PolarHBondContact NE2-O 2.89Å; E81-R89 IonicContact OE1-NH1 3.55Å; E81-R89 IonicContact OE1-NH2 3.84Å
82	N	82.5	Confident	76.4	Confident	13 Å²	13	89.1 Å²	89.1	7%	0.07	41%	0.41	C	S	.	.			trans	-60.5	123.9	-178.5	-177.4	-49.4	0	0	0	110.4	Y70 V84 L85 E86	Y70-N82 HydrophobicContact CD2-CB 4.27Å; Y70-N82 HydrophobicContact CE1-CB 3.98Å; Y70-N82 WeakPolarHBondContact CE1-ND2 3.19Å; Y70-N82 HydrophobicContact CE2-CB 3.72Å; Y70-N82 PolarHBondContact OH-ND2 2.96Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.05Å; N82-V84 WeakPolarHBondContact OD1-CB 3.31Å; N82-V84 PolarHBondContact OD1-N 2.67Å; N82-L85 HydrophobicContact CB-CB 4.17Å; N82-L85 HydrophobicContact CB-CD1 4.05Å; N82-L85 HydrophobicContact CB-CG 4.1Å; N82-L85 PolarHBondContact O-N 2.89Å; N82-L85 VanDerWaalsContact O-N 3.13Å; N82-L85 PolarHBondContact OD1-N 2.68Å; N82-E86 PolarHBondContact O-N 2.82Å
83	P	76.9	Confident	75.9	Confident	11 Å²	11	93.6 Å²	93.6	7%	0.071	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-29.4	-173.9	28.3	-38.7	0	0	0	113.3	L54 W58 A87	L54-P83 HydrophobicContact CD2-CG 4Å; W58-P83 HydrophobicContact CD2-CB 4.24Å; W58-P83 HydrophobicContact CD2-CG 3.79Å; W58-P83 HydrophobicContact CE3-CB 4.13Å; W58-P83 HydrophobicContact CE3-CG 3.61Å; W58-P83 HydrophobicContact CG-CG 4.38Å; W58-P83 HydrophobicContact CH2-CB 3.73Å; W58-P83 HydrophobicContact CH2-CG 4.16Å; W58-P83 HydrophobicContact CZ2-CB 3.88Å; W58-P83 HydrophobicContact CZ2-CG 4.35Å; W58-P83 HydrophobicContact CZ3-CB 3.86Å; W58-P83 HydrophobicContact CZ3-CG 3.8Å; P83-A87 VanDerWaalsContact O-CB 3.31Å; P83-A87 WeakPolarHBondContact O-CB 3.42Å; P83-A87 PolarHBondContact O-N 3.1Å
84	V	76.4	Confident	76.2	Confident	2 Å²	2	94.2 Å²	94.2	1%	0.012	44%	0.436	C	S	.	.	H	α-helix	trans	-71.5	-41.9	177.2	-174.5	0	0	0	0	110.1	C37 L54 P55 N82 A87 K88	C37-V84 HydrophobicContact CB-CG1 4.46Å; L54-V84 HydrophobicContact CD2-CG2 4.49Å; P55-V84 HydrophobicContact CG-CG2 4.04Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.05Å; N82-V84 WeakPolarHBondContact OD1-CB 3.31Å; N82-V84 PolarHBondContact OD1-N 2.67Å; V84-A87 PolarHBondContact O-N 2.96Å; V84-K88 HydrophobicContact CG1-CD 4.2Å; V84-K88 WeakPolarHBondContact O-CB 3.42Å; V84-K88 WeakPolarHBondContact O-CG 3.48Å; V84-K88 PolarHBondContact O-N 3.21Å
85	L	75.6	Confident	76.3	Confident	86 Å²	86	95.3 Å²	95.3	45%	0.45	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-36.5	175.4	-66.6	-179.1	0	0	0	112.2	L52 N82 R89	L52-L85 HydrophobicContact CD1-CD1 4.42Å; L52-L85 HydrophobicContact CD1-CD2 3.47Å; L52-L85 VanDerWaalsContact CD1-CD2 3.47Å; L52-L85 HydrophobicContact CD1-CG 3.78Å; N82-L85 HydrophobicContact CB-CB 4.17Å; N82-L85 HydrophobicContact CB-CD1 4.05Å; N82-L85 HydrophobicContact CB-CG 4.1Å; N82-L85 PolarHBondContact O-N 2.89Å; N82-L85 VanDerWaalsContact O-N 3.13Å; N82-L85 PolarHBondContact OD1-N 2.68Å; L85-R89 WeakPolarHBondContact O-CB 3.41Å; L85-R89 PolarHBondContact O-N 2.7Å
86	E	78.4	Confident	76.3	Confident	91 Å²	91	95.8 Å²	95.8	43%	0.425	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-48.3	173.1	-165.7	-167	158.4	0	0	110.8	Q79 N82 R89 K90	Q79-E86 PolarHBondContact NE2-OE2 3.26Å; N82-E86 PolarHBondContact O-N 2.82Å; E86-R89 PolarHBondContact O-N 3.4Å; E86-K90 WeakPolarHBondContact O-CB 3.39Å; E86-K90 PolarHBondContact O-N 3.37Å
87	A	74.6	Confident	76	Confident	24 Å²	24	90.6 Å²	90.6	20%	0.198	42%	0.423	C	S	.	.	H	α-helix	trans	-62	-47.5	177.2	0	0	0	0	0	112.5	P83 V84 R89 K90 K91	P83-A87 VanDerWaalsContact O-CB 3.31Å; P83-A87 WeakPolarHBondContact O-CB 3.42Å; P83-A87 PolarHBondContact O-N 3.1Å; V84-A87 PolarHBondContact O-N 2.96Å; A87-R89 PolarHBondContact O-N 2.99Å; A87-K90 PolarHBondContact O-N 3.38Å; A87-K91 WeakPolarHBondContact O-CB 3.35Å; A87-K91 PolarHBondContact O-N 3.28Å
88	K	74.8	Confident	75.6	Confident	61 Å²	61	89.9 Å²	89.9	27%	0.265	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.5	-73	-178.6	-176.6	-174.4	0	111.3	C37 D39 V84 K90 K91 Q92	C37-K88 PolarHBondContact O-NZ 2.94Å; D39-K88 IonicContact OD1-NZ 3.18Å; D39-K88 PolarHBondContact OD1-NZ 2.94Å; D39-K88 IonicContact OD2-NZ 2.75Å; D39-K88 PolarHBondContact OD2-NZ 3.15Å; V84-K88 HydrophobicContact CG1-CD 4.2Å; V84-K88 WeakPolarHBondContact O-CB 3.42Å; V84-K88 WeakPolarHBondContact O-CG 3.48Å; V84-K88 PolarHBondContact O-N 3.21Å; K88-K90 PolarHBondContact O-N 2.9Å; K88-K91 PolarHBondContact O-N 2.91Å; K88-Q92 WeakPolarHBondContact O-CB 3.25Å; K88-Q92 PolarHBondContact O-N 2.81Å
89	R	78.3	Confident	74.6	Confident	136 Å²	136	91.1 Å²	91.1	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-44.4	175.9	-168.5	-167.8	-54	176	8.7	112	E81 L85 E86 A87 Q92 L93	E81-R89 IonicContact OE1-NH1 3.55Å; E81-R89 IonicContact OE1-NH2 3.84Å; L85-R89 WeakPolarHBondContact O-CB 3.41Å; L85-R89 PolarHBondContact O-N 2.7Å; E86-R89 PolarHBondContact O-N 3.4Å; A87-R89 PolarHBondContact O-N 2.99Å; R89-Q92 PolarHBondContact O-N 3.49Å; R89-L93 PolarHBondContact O-N 2.74Å
90	K	75.1	Confident	73.6	Confident	144 Å²	144	94.2 Å²	94.2	63%	0.626	44%	0.435	S	S	*	.	H	α-helix	trans	-63.1	-46.1	178.8	-173.6	176.7	179	-179.2	0	111.9	E86 A87 K88 Q92 L93 E94	E86-K90 WeakPolarHBondContact O-CB 3.39Å; E86-K90 PolarHBondContact O-N 3.37Å; A87-K90 PolarHBondContact O-N 3.38Å; K88-K90 PolarHBondContact O-N 2.9Å; K90-Q92 VanDerWaalsContact C-N 3.32Å; K90-Q92 PolarHBondContact O-N 2.89Å; K90-L93 WeakPolarHBondContact O-CB 3.32Å; K90-L93 PolarHBondContact O-N 3.18Å; K90-E94 WeakPolarHBondContact O-CB 3.44Å; K90-E94 PolarHBondContact O-N 2.76Å
91	K	74.5	Confident	72.4	Confident	86 Å²	86	92.8 Å²	92.8	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-62.3	-36.3	176.7	-171.2	166.8	-178.3	165.9	0	112.5	E35 A87 K88 E94 Q95	E35-K91 HydrophobicContact CB-CD 4.43Å; E35-K91 HydrophobicContact CG-CD 4.24Å; E35-K91 WeakPolarHBondContact OE2-CD 3.46Å; E35-K91 WeakPolarHBondContact OE2-CE 3.24Å; E35-K91 IonicContact OE2-NZ 3.63Å; E35-K91 PolarHBondContact OE2-NZ 3.08Å; A87-K91 WeakPolarHBondContact O-CB 3.35Å; A87-K91 PolarHBondContact O-N 3.28Å; K88-K91 PolarHBondContact O-N 2.91Å; K91-E94 PolarHBondContact O-N 2.66Å; K91-Q95 PolarHBondContact O-N 2.91Å
92	Q	74.1	Confident	71.5	Confident	137 Å²	137	93.7 Å²	93.7	64%	0.64	44%	0.438	S	S	*	.	H	α-helix	trans	-68.7	-41.1	174.7	-169.4	178	65.4	0	0	112.4	K88 R89 K90 E94 Q95 Q96	K88-Q92 WeakPolarHBondContact O-CB 3.25Å; K88-Q92 PolarHBondContact O-N 2.81Å; R89-Q92 PolarHBondContact O-N 3.49Å; K90-Q92 VanDerWaalsContact C-N 3.32Å; K90-Q92 PolarHBondContact O-N 2.89Å; Q92-E94 VanDerWaalsContact C-N 3.34Å; Q92-Q95 PolarHBondContact O-N 2.83Å; Q92-Q96 PolarHBondContact O-N 2.91Å
93	L	72.1	Confident	70.3	Confident	101 Å²	101	99.3 Å²	99.3	53%	0.529	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-40.8	171.4	-105.5	147.1	0	0	0	112.1	R89 K90 Q96 Q97	R89-L93 PolarHBondContact O-N 2.74Å; K90-L93 WeakPolarHBondContact O-CB 3.32Å; K90-L93 PolarHBondContact O-N 3.18Å; L93-Q96 PolarHBondContact O-N 2.82Å; L93-Q97 WeakPolarHBondContact O-CB 3.49Å; L93-Q97 PolarHBondContact O-N 3.09Å
94	E	73.4	Confident	69.3	Low	114 Å²	114	104.7 Å²	104.7	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-68.1	-39.2	179.7	-162.9	159.9	-146.7	0	0	112	K90 K91 Q92 Q97 Q98	K90-E94 WeakPolarHBondContact O-CB 3.44Å; K90-E94 PolarHBondContact O-N 2.76Å; K91-E94 PolarHBondContact O-N 2.66Å; Q92-E94 VanDerWaalsContact C-N 3.34Å; E94-Q97 PolarHBondContact O-N 2.99Å; E94-Q98 WeakPolarHBondContact O-CG 3.4Å; E94-Q98 PolarHBondContact O-N 3.08Å
95	Q	72.2	Confident	68.4	Low	120 Å²	120	110.8 Å²	110.8	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-61.7	-43.2	168.5	-77.3	-172.2	-8.6	0	0	112.6	K91 Q92 Q97 Q98 Q99	K91-Q95 PolarHBondContact O-N 2.91Å; Q92-Q95 PolarHBondContact O-N 2.83Å; Q95-Q97 VanDerWaalsContact C-N 3.3Å; Q95-Q97 PolarHBondContact O-N 3.1Å; Q95-Q98 PolarHBondContact O-N 2.86Å; Q95-Q99 PolarHBondContact O-N 2.95Å
96	Q	69	Low	67.4	Low	119 Å²	119	113.2 Å²	113.2	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-35.5	178.8	-165.8	173.9	102	0	0	111.8	Q92 L93 Q99 Q100	Q92-Q96 PolarHBondContact O-N 2.91Å; L93-Q96 PolarHBondContact O-N 2.82Å; Q96-Q99 PolarHBondContact O-N 3.4Å; Q96-Q100 PolarHBondContact O-N 2.83Å; Q96-Q100 VanDerWaalsContact O-N 3.12Å
97	Q	67.9	Low	66.4	Low	118 Å²	118	115.2 Å²	115.2	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-70.4	-36.6	175.1	-161.7	171.2	107.4	0	0	112.3	L93 E94 Q95 Q100 Q101	L93-Q97 WeakPolarHBondContact O-CB 3.49Å; L93-Q97 PolarHBondContact O-N 3.09Å; E94-Q97 PolarHBondContact O-N 2.99Å; Q95-Q97 VanDerWaalsContact C-N 3.3Å; Q95-Q97 PolarHBondContact O-N 3.1Å; Q97-Q100 PolarHBondContact O-N 3.09Å; Q97-Q101 PolarHBondContact O-N 2.82Å
98	Q	65.9	Low	65.3	Low	115 Å²	115	120.3 Å²	120.3	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-37	170.7	-73.1	-176.9	13.5	0	0	112.4	E94 Q95 Q101 Q102	E94-Q98 WeakPolarHBondContact O-CG 3.4Å; E94-Q98 PolarHBondContact O-N 3.08Å; Q95-Q98 PolarHBondContact O-N 2.86Å; Q98-Q101 PolarHBondContact O-N 2.82Å; Q98-Q102 PolarHBondContact O-N 2.7Å
99	Q	61.4	Low	64.3	Low	125 Å²	125	123.9 Å²	123.9	58%	0.584	57%	0.572	S	S	*	*	H	α-helix	trans	-63.9	-39.5	173.1	-71.9	-175.4	3.9	0	0	112.3	Q95 Q96 Q102 Q103	Q95-Q99 PolarHBondContact O-N 2.95Å; Q96-Q99 PolarHBondContact O-N 3.4Å; Q99-Q102 PolarHBondContact O-N 3.31Å; Q99-Q103 PolarHBondContact O-N 3.18Å
100	Q	60.4	Low	63	Low	115 Å²	115	124 Å²	124	54%	0.537	58%	0.579	S	S	.	*	H	α-helix	trans	-64	-39.3	173.6	-74.4	-172	-2.7	0	0	112.7	Q96 Q97 Q102 Q103 Q104	Q96-Q100 PolarHBondContact O-N 2.83Å; Q96-Q100 VanDerWaalsContact O-N 3.12Å; Q97-Q100 PolarHBondContact O-N 3.09Å; Q100-Q102 VanDerWaalsContact C-N 3.35Å; Q100-Q102 PolarHBondContact O-N 2.7Å; Q100-Q103 PolarHBondContact O-N 3.43Å; Q100-Q104 PolarHBondContact O-N 2.91Å
101	Q	59.4	Low	61.7	Low	116 Å²	116	124 Å²	124	54%	0.542	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-36.9	175.2	-71.2	-174.2	10.2	0	0	112.5	Q97 Q98 Q104 Q105	Q97-Q101 PolarHBondContact O-N 2.82Å; Q98-Q101 PolarHBondContact O-N 2.82Å; Q101-Q104 PolarHBondContact O-N 2.96Å; Q101-Q105 PolarHBondContact O-N 3.28Å
102	Q	58.2	Low	60.3	Low	133 Å²	133	127.8 Å²	127.8	62%	0.621	60%	0.6	S	S	*	*	H	α-helix	trans	-66.8	-37.5	173.6	-70.8	-175.1	10.1	0	0	112.5	Q98 Q99 Q100 Q105 Q106	Q98-Q102 PolarHBondContact O-N 2.7Å; Q99-Q102 PolarHBondContact O-N 3.31Å; Q100-Q102 VanDerWaalsContact C-N 3.35Å; Q100-Q102 PolarHBondContact O-N 2.7Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q102-Q106 PolarHBondContact O-N 3.48Å; Q102-Q106 VanDerWaalsContact O-N 3.15Å
103	Q	57.2	Low	58.8	Low	132 Å²	132	129.3 Å²	129.3	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-65.3	-39.4	173.2	-72.5	-174.8	1	0	0	112.5	Q99 Q100 Q106 Q107	Q99-Q103 PolarHBondContact O-N 3.18Å; Q100-Q103 PolarHBondContact O-N 3.43Å; Q103-Q106 PolarHBondContact O-N 3.04Å; Q103-Q107 PolarHBondContact O-N 3.09Å; Q103-Q107 VanDerWaalsContact O-N 3.07Å
104	Q	57	Low	57.3	Low	123 Å²	123	132.8 Å²	132.8	58%	0.575	62%	0.62	S	S	*	*	H	α-helix	trans	-65.6	-36.4	175.2	-74.3	-172.8	-0.8	0	0	112.8	Q100 Q101 Q107 Q108	Q100-Q104 PolarHBondContact O-N 2.91Å; Q101-Q104 PolarHBondContact O-N 2.96Å; Q104-Q107 PolarHBondContact O-N 3.49Å; Q104-Q108 PolarHBondContact O-N 3.47Å
105	Q	56.5	Low	55.5	Low	130 Å²	130	133.1 Å²	133.1	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-66.2	-35.5	173.7	-73.5	-171.7	4.4	0	0	112.7	Q101 Q102 Q108 Q109	Q101-Q105 PolarHBondContact O-N 3.28Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q105-Q108 PolarHBondContact O-N 3.46Å; Q105-Q109 PolarHBondContact O-N 2.94Å; Q105-Q109 VanDerWaalsContact O-N 3.16Å
106	Q	55.5	Low	53.9	Low	137 Å²	137	136.6 Å²	136.6	64%	0.64	65%	0.647	S	S	*	*	H	α-helix	trans	-66.4	-38.3	172.4	-74.4	-171.2	-4.2	0	0	112.5	Q102 Q103 Q109 Q110	Q102-Q106 PolarHBondContact O-N 3.48Å; Q102-Q106 VanDerWaalsContact O-N 3.15Å; Q103-Q106 PolarHBondContact O-N 3.04Å; Q106-Q109 PolarHBondContact O-N 3.05Å; Q106-Q110 PolarHBondContact O-N 3.37Å
107	Q	56.3	Low	52.1	Low	133 Å²	133	139.3 Å²	139.3	62%	0.621	66%	0.659	S	S	*	*	H	α-helix	trans	-66	-38.2	174.7	-74.4	-173.5	-10.4	0	0	112.8	Q103 Q104 Q109 Q110 Q111	Q103-Q107 PolarHBondContact O-N 3.09Å; Q103-Q107 VanDerWaalsContact O-N 3.07Å; Q104-Q107 PolarHBondContact O-N 3.49Å; Q107-Q109 VanDerWaalsContact C-N 3.35Å; Q107-Q109 PolarHBondContact O-N 3.15Å; Q107-Q110 PolarHBondContact O-N 3.17Å; Q107-Q111 PolarHBondContact O-N 3.47Å; Q107-Q111 VanDerWaalsContact O-N 3.15Å
108	Q	52.9	Low	50.3	Low	131 Å²	131	143.8 Å²	143.8	61%	0.612	67%	0.671	S	S	*	*	H	α-helix	trans	-66.1	-33.7	175.3	-76	-172.1	-4.5	0	0	113.1	Q104 Q105 Q110 Q111 Q112	Q104-Q108 PolarHBondContact O-N 3.47Å; Q105-Q108 PolarHBondContact O-N 3.46Å; Q108-Q110 VanDerWaalsContact C-N 3.33Å; Q108-Q110 PolarHBondContact O-N 2.77Å; Q108-Q111 PolarHBondContact O-N 2.75Å; Q108-Q112 PolarHBondContact O-N 3.29Å
109	Q	52.4	Low	48.8	Very low	136 Å²	136	143.9 Å²	143.9	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-69.3	-28.2	173.9	-73	-172.7	3.3	0	0	113.2	Q105 Q106 Q107	Q105-Q109 PolarHBondContact O-N 2.94Å; Q105-Q109 VanDerWaalsContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 3.05Å; Q107-Q109 VanDerWaalsContact C-N 3.35Å; Q107-Q109 PolarHBondContact O-N 3.15Å
110	Q	51.7	Low	47.3	Very low	140 Å²	140	145.3 Å²	145.3	65%	0.654	69%	0.687	S	S	*	*	H	α-helix	trans	-74	-37.8	173.4	-70.9	-176.4	-3.2	0	0	112.4	Q106 Q107 Q108 Q112 Q113	Q106-Q110 PolarHBondContact O-N 3.37Å; Q107-Q110 PolarHBondContact O-N 3.17Å; Q108-Q110 VanDerWaalsContact C-N 3.33Å; Q108-Q110 PolarHBondContact O-N 2.77Å; Q110-Q112 VanDerWaalsContact C-N 3.32Å; Q110-Q112 PolarHBondContact O-N 2.67Å; Q110-Q113 PolarHBondContact O-N 2.91Å
111	Q	47.6	Very low	45.9	Very low	144 Å²	144	146.5 Å²	146.5	67%	0.673	70%	0.697	S	S	*	*	H	α-helix	trans	-67.9	-27.1	179	-76.9	-175.7	-13.5	0	0	113.9	Q107 Q108 Q113	Q107-Q111 PolarHBondContact O-N 3.47Å; Q107-Q111 VanDerWaalsContact O-N 3.15Å; Q108-Q111 PolarHBondContact O-N 2.75Å; Q111-Q113 PolarHBondContact O-N 3.43Å
112	Q	44.8	Very low	44.6	Very low	165 Å²	165	148.1 Å²	148.1	77%	0.771	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9.6	174.7	-71.5	-172	-4.1	0	0	114.4	Q108 Q110	Q108-Q112 PolarHBondContact O-N 3.29Å; Q110-Q112 VanDerWaalsContact C-N 3.32Å; Q110-Q112 PolarHBondContact O-N 2.67Å
113	Q	43.4	Very low	43.1	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-0.9	178.2	-64.5	-174.1	16.1	0	0	114.3	Q110 Q111	Q110-Q113 PolarHBondContact O-N 2.91Å; Q111-Q113 PolarHBondContact O-N 3.43Å
114	Q	39.4	Very low	41.8	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	72%	0.721	S	S	*	*	S	Bend	trans	-118.7	17.6	-177.1	-66.5	-171.3	-7.3	0	0	114.3
115	T	35.3	Very low	40.5	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	73%	0.729	S	S	*	*	S	Bend	trans	-99.3	9.8	-178.8	-47.3	0	0	0	0	113.5
116	E	40.6	Very low	39.1	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	72%	0.72	S	S	*	*	S	Bend	trans	-124.1	40.4	178.5	-67.1	-158.3	137.7	0	0	114
117	E	29.8	Very low	39.5	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	71%	0.714	S	S	*	*	S	Bend	trans	-136.6	94.2	170.7	-140	165.6	149	0	0	114.9
118	W	29.5	Very low	38.7	Very low	212 Å²	212	139.8 Å²	139.8	80%	0.803	72%	0.719	S	S	*	*			trans	63.5	137.1	152.9	-66	75.2	0	0	0	124.7
119	T	35.4	Very low	37.5	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	73%	0.728	S	S	*	*			trans	-58.5	179.8	159.5	-22.3	0	0	0	0	114.5
120	E	30.4	Very low	36.7	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.724	74%	0.738	S	S	*	*			trans	90.4	79.6	155.1	-68.9	166.7	118.1	0	0	120.8
121	D	30.1	Very low	36.4	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	74%	0.739	S	S	*	*				62.5	156.1	118.1	-131.8	-19.8	0	0	0	125.2
122	H	32.4	Very low	35.3	Very low	149 Å²	149	140.5 Å²	140.5	69%	0.69	75%	0.749	S	S	*	*			trans	77.8	103.6	155.7	-69	0.9	0	0	0	123.9
123	S	26.7	Very low	34.5	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	75%	0.752	S	S	*	*				67.9	129.7	117.6	-57.9	0	0	0	0	125.1
124	A	30.5	Very low	35	Very low	91 Å²	91	138.5 Å²	138.5	75%	0.752	75%	0.749	S	S	*	*			trans	-80.3	172.3	-171	0	0	0	0	0	120.2
125	L	28.1	Very low	35.4	Very low	141 Å²	141	135.4 Å²	135.4	74%	0.738	74%	0.744	S	S	*	*			trans	151.1	102.3	134.4	-78.9	163.5	0	0	0	117.4	T281	L125-T281 HydrophobicContact CD2-CG2 4.37Å
126	V	28	Very low	34.8	Very low	69 Å²	69	135.9 Å²	135.9	42%	0.418	75%	0.752	S	S	.	*				37.9	141.7	111.2	174.8	0	0	0	0	121.5	E280 T281	V126-E280 HydrophobicContact CG1-CB 3.62Å; V126-E280 HydrophobicContact CG1-CG 3.62Å; V126-E280 WeakPolarHBondContact CG1-OE1 3.46Å; V126-E280 HydrophobicContact CG2-CG 4.29Å; V126-T281 VanDerWaalsContact CG1-OG1 3.28Å; V126-T281 WeakPolarHBondContact CG1-OG1 3.37Å
127	P	63.9	Low	34.5	Very low	81 Å²	81	133.3 Å²	133.3	53%	0.526	74%	0.744	S	S	.	*			cis	-140.6	-161	-38.3	42.7	-21	0	0	0	115.3	E280	P127-E280 VanDerWaalsContact CB-OE1 3.3Å; P127-E280 WeakPolarHBondContact CB-OE1 3.43Å; P127-E280 WeakPolarHBondContact CB-OE2 3.45Å; P127-E280 VanDerWaalsContact CG-OE2 3.31Å; P127-E280 WeakPolarHBondContact CG-OE2 3.45Å
128	P	40.4	Very low	34.7	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	74%	0.744	S	S	*	*				-164.4	154.3	93.5	41.7	-19.6	0	0	0	122.2
129	V	26.3	Very low	34.6	Very low	130 Å²	130	125.9 Å²	125.9	79%	0.788	73%	0.729	S	S	*	*			trans	50.8	130.2	137.4	-176.3	0	0	0	0	122.8
130	I	36.3	Very low	34.9	Very low	168 Å²	168	125.8 Å²	125.8	86%	0.862	73%	0.731	S	S	*	*			trans	-139.3	125.1	-176	-53.2	173	0	0	0	113.3
131	P	45	Very low	34.6	Very low	104 Å²	104	123 Å²	123	68%	0.675	73%	0.734	S	S	*	*			trans	-148.4	121.2	178.3	37.3	-16.8	0	0	0	119.7
132	N	24.3	Very low	34.7	Very low	164 Å²	164	125.7 Å²	125.7	88%	0.877	73%	0.734	S	S	*	*			trans	176.4	160	135.6	-101.3	-19.5	0	0	0	115.2
133	H	28.1	Very low	34.4	Very low	180 Å²	180	127.9 Å²	127.9	83%	0.833	75%	0.745	S	S	*	*			trans	-153.5	-178.7	-170	-85.4	-64.9	0	0	0	111
134	P	54.9	Low	34.7	Very low	112 Å²	112	127.7 Å²	127.7	73%	0.727	74%	0.738	S	S	*	*			cis	-116.8	-94	-15.9	21.2	1.1	0	0	0	113.9
135	P	46.3	Very low	34.7	Very low	108 Å²	108	129.3 Å²	129.3	70%	0.701	74%	0.741	S	S	*	*				-124.9	127	-69.8	30.1	-11.1	0	0	0	116.6
136	S	24.1	Very low	34.8	Very low	132 Å²	132	130.8 Å²	130.8	92%	0.923	75%	0.748	S	S	*	*			trans	-179.6	159.4	137.4	37.3	0	0	0	0	111.4
137	N	33	Very low	35.6	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	77%	0.774	S	S	*	*			trans	-151.3	144	-169.7	-170.9	32.1	0	0	0	109.1	E139	N137-E139 PolarHBondContact OD1-N 2.8Å
138	P	34.7	Very low	34.2	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	78%	0.782	S	S	*	*				-145.5	128.2	90.7	34.2	-15.3	0	0	0	116.7
139	E	27	Very low	34.3	Very low	108 Å²	108	139 Å²	139	51%	0.505	78%	0.781	S	S	.	*			trans	-66.5	169.7	147	-107.5	-153.3	89.8	0	0	110.8	N137 R142	N137-E139 PolarHBondContact OD1-N 2.8Å; E139-R142 IonicContact OE1-NH1 2.72Å; E139-R142 IonicContact OE2-CZ 3.91Å; E139-R142 IonicContact OE2-NH1 3.02Å; E139-R142 PolarHBondContact OE2-NH1 2.79Å
140	P	41.6	Very low	35.6	Very low	116 Å²	116	137 Å²	137	75%	0.753	77%	0.77	S	S	*	*			cis	-135.6	152.4	22.2	39.9	-22.4	0	0	0	117.7
141	A	24.4	Very low	37.2	Very low	96 Å²	96	137 Å²	137	79%	0.793	77%	0.765	S	S	*	*			trans	-162.5	81.6	156.4	0	0	0	0	0	110.9
142	R	33.7	Very low	38.9	Very low	197 Å²	197	133.7 Å²	133.7	74%	0.743	74%	0.74	S	S	*	*			trans	-105.4	104.3	168.6	-81.4	-171	170.7	104.9	-5.3	110.2	E139	E139-R142 IonicContact OE1-NH1 2.72Å; E139-R142 IonicContact OE2-CZ 3.91Å; E139-R142 IonicContact OE2-NH1 3.02Å; E139-R142 PolarHBondContact OE2-NH1 2.79Å
143	E	25.2	Very low	41.7	Very low	196 Å²	196	126.3 Å²	126.3	92%	0.916	70%	0.701	S	S	*	*			trans	-78.1	135.5	162.5	-66.7	-165	146	0	0	110
144	V	32.7	Very low	44.4	Very low	117 Å²	117	124.4 Å²	124.4	71%	0.709	69%	0.686	S	S	*	*			trans	-109.9	121.1	175.1	178.7	0	0	0	0	107.2	L146	V144-L146 PolarHBondContact O-N 2.94Å; V144-L146 VanDerWaalsContact O-N 3.1Å
145	P	30.7	Very low	45.8	Very low	125 Å²	125	121.9 Å²	121.9	81%	0.812	67%	0.666	S	S	*	*			trans	-58	117	172.4	-25.5	35.5	0	0	0	110.6
146	L	31	Very low	47.7	Very low	171 Å²	171	118.5 Å²	118.5	90%	0.895	64%	0.644	S	S	*	*			trans	-64.8	142.9	-178.2	-69.7	161.4	0	0	0	110.9	V144 G148	V144-L146 PolarHBondContact O-N 2.94Å; V144-L146 VanDerWaalsContact O-N 3.1Å; L146-G148 PolarHBondContact O-N 3.08Å
147	Q	44	Very low	50.5	Low	206 Å²	206	117.3 Å²	117.3	96%	0.963	64%	0.636	S	S	*	*			trans	-66.5	112.8	171.9	-68.7	-178.5	-7.2	0	0	109.9
148	G	34.3	Very low	53	Low	66 Å²	66	115.3 Å²	115.3	68%	0.68	62%	0.623	S	S	*	*			trans	-154.8	125.6	179.8	0	0	0	0	0	113.3	L146	L146-G148 PolarHBondContact O-N 3.08Å
149	K	42.1	Very low	55.5	Low	161 Å²	161	110 Å²	110	70%	0.7	59%	0.587	S	S	*	*	S	Bend	trans	53.5	144.2	-176.5	-72.3	-170	170.6	-169.1	0	115.5	F151 E184	K149-F151 PolarHBondContact O-N 3.01Å; K149-E184 IonicContact NZ-OE2 3.33Å; K149-E184 PolarHBondContact NZ-OE2 2.92Å
150	P	54.4	Low	57.9	Low	88 Å²	88	113.9 Å²	113.9	57%	0.571	60%	0.602	S	S	*	*			trans	-62.9	135.4	164.5	28.2	-32.8	0	0	0	108.8	F152	P150-F152 PolarHBondContact O-N 3Å
151	F	68.7	Low	60	Low	169 Å²	169	109.9 Å²	109.9	74%	0.741	58%	0.582	S	S	*	*			trans	-63.2	107.6	-178.9	-175.2	-89.7	0	0	0	110	K149	K149-F151 PolarHBondContact O-N 3.01Å
152	F	81.6	Confident	63.1	Low	34 Å²	34	112.1 Å²	112.1	15%	0.149	57%	0.574	C	S	.	*			trans	-75.9	144	177	179.1	-99.5	0	0	0	110.9	P150 R154 P185 D186 E187 F188	P150-F152 PolarHBondContact O-N 3Å; F152-R154 HydrophobicContact CD1-CG 4.43Å; F152-R154 HydrophobicContact CE1-CG 3.48Å; F152-R154 VanDerWaalsContact CE1-CG 3.48Å; F152-R154 HydrophobicContact CZ-CG 4.07Å; F152-P185 WeakPolarHBondContact CZ-O 3.23Å; F152-D186 WeakPolarHBondContact CB-O 3.33Å; F152-D186 VanDerWaalsContact CD1-CA 3.48Å; F152-D186 HydrophobicContact CD1-CB 3.78Å; F152-D186 WeakPolarHBondContact CD1-OD1 3.28Å; F152-D186 VanDerWaalsContact CE1-CA 3.45Å; F152-D186 HydrophobicContact CE1-CB 4.08Å; F152-D186 VanDerWaalsContact CE1-OD1 3.29Å; F152-D186 WeakPolarHBondContact CE1-OD1 3.47Å; F152-D186 VanDerWaalsContact CG-C 3.48Å; F152-D186 HydrophobicContact CG-CB 4.37Å; F152-D186 VanDerWaalsContact CG-O 3.29Å; F152-D186 WeakPolarHBondContact CG-O 3.44Å; F152-E187 VanDerWaalsContact CE2-O 3.3Å; F152-E187 WeakPolarHBondContact CE2-O 3.23Å; F152-F188 HydrophobicContact CB-CE2 4.48Å; F152-F188 HydrophobicContact CB-CZ 4.47Å; F152-F188 AromaticContact CD2-CD1 3.59Å; F152-F188 HydrophobicContact CD2-CD1 3.59Å; F152-F188 HydrophobicContact CD2-CD2 4.03Å; F152-F188 AromaticContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE2 4Å; F152-F188 AromaticContact CD2-CG 3.83Å; F152-F188 HydrophobicContact CD2-CG 3.83Å; F152-F188 AromaticContact CD2-CZ 3.78Å; F152-F188 HydrophobicContact CD2-CZ 3.78Å; F152-F188 AromaticContact CE2-CD1 3.56Å; F152-F188 HydrophobicContact CE2-CD1 3.56Å; F152-F188 AromaticContact CE2-CE1 3.76Å; F152-F188 HydrophobicContact CE2-CE1 3.76Å; F152-F188 HydrophobicContact CE2-CG 4.09Å; F152-F188 HydrophobicContact CE2-CZ 4.45Å; F152-F188 HydrophobicContact CG-CE1 4.46Å; F152-F188 HydrophobicContact CG-CZ 4.41Å
153	T	82.4	Confident	65.9	Low	10 Å²	10	106.4 Å²	106.4	6%	0.061	56%	0.555	C	S	.	*			trans	-143.2	145.2	172.3	179.7	0	0	0	0	110.7	N155 E158 L159 F188	T153-N155 PolarHBondContact OG1-N 2.84Å; T153-N155 VanDerWaalsContact OG1-N 3.1Å; T153-E158 WeakPolarHBondContact CB-OE2 3.34Å; T153-E158 HydrophobicContact CG2-CB 3.76Å; T153-E158 PolarHBondContact OG1-OE2 2.81Å; T153-L159 HydrophobicContact CG2-CD2 3.7Å; T153-L159 HydrophobicContact CG2-CG 4.38Å; T153-F188 HydrophobicContact CG2-CZ 4.31Å
154	R	86.6	Confident	69.2	Low	139 Å²	139	97.8 Å²	97.8	53%	0.525	52%	0.515	S	S	.	.	S	Bend	trans	-91.3	-5.9	174.4	-56.3	-176.8	-171.9	179.1	2.4	112.2	F152 D186	F152-R154 HydrophobicContact CD1-CG 4.43Å; F152-R154 HydrophobicContact CE1-CG 3.48Å; F152-R154 VanDerWaalsContact CE1-CG 3.48Å; F152-R154 HydrophobicContact CZ-CG 4.07Å; R154-D186 IonicContact CZ-OD1 3.69Å; R154-D186 VanDerWaalsContact CZ-OD1 3.27Å; R154-D186 IonicContact NE-OD1 2.88Å; R154-D186 PolarHBondContact NE-OD1 3.34Å; R154-D186 IonicContact NH2-OD1 3.88Å; R154-D186 PolarHBondContact NH2-OD1 3.08Å; R154-D186 IonicContact NH2-OD2 2.74Å; R154-D186 PolarHBondContact NH2-OD2 3.28Å
155	N	83.3	Confident	72	Confident	59 Å²	59	98.1 Å²	98.1	32%	0.316	51%	0.509	S	S	.	.			trans	-99.5	117.5	-179.7	-179.7	4.3	0	0	0	110.6	T153 S157 E158	T153-N155 PolarHBondContact OG1-N 2.84Å; T153-N155 VanDerWaalsContact OG1-N 3.1Å; N155-S157 PolarHBondContact O-N 2.84Å; N155-S157 VanDerWaalsContact O-N 3.16Å; N155-S157 VanDerWaalsContact OD1-CB 3.24Å; N155-S157 WeakPolarHBondContact OD1-CB 3.29Å; N155-S157 PolarHBondContact OD1-N 2.76Å; N155-S157 PolarHBondContact OD1-OG 2.88Å; N155-E158 HydrophobicContact CB-CB 4.41Å; N155-E158 HydrophobicContact CB-CG 4.2Å; N155-E158 WeakPolarHBondContact CB-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE1 3.39Å; N155-E158 PolarHBondContact O-N 2.84Å; N155-E158 VanDerWaalsContact O-N 3.12Å
156	P	85.6	Confident	75	Confident	37 Å²	37	92.5 Å²	92.5	24%	0.24	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-53.3	-36.3	174.7	-28.2	36.5	0	0	0	113.3	E158 L159 F163 V213 L221	P156-E158 PolarHBondContact O-N 2.94Å; P156-E158 VanDerWaalsContact O-N 3.13Å; P156-L159 WeakPolarHBondContact O-CB 3.31Å; P156-L159 PolarHBondContact O-N 3.07Å; P156-F163 WeakPolarHBondContact O-CZ 3.41Å; P156-V213 HydrophobicContact CB-CG1 3.8Å; P156-V213 HydrophobicContact CG-CG1 3.85Å; P156-L221 HydrophobicContact CB-CD1 4.47Å; P156-L221 HydrophobicContact CG-CD1 3.97Å
157	S	84.2	Confident	78	Confident	108 Å²	108	89.9 Å²	89.9	76%	0.755	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.7	-177.6	-34	0	0	0	0	114.1	N155	N155-S157 PolarHBondContact O-N 2.84Å; N155-S157 VanDerWaalsContact O-N 3.16Å; N155-S157 VanDerWaalsContact OD1-CB 3.24Å; N155-S157 WeakPolarHBondContact OD1-CB 3.29Å; N155-S157 PolarHBondContact OD1-N 2.76Å; N155-S157 PolarHBondContact OD1-OG 2.88Å
158	E	85	Confident	80.4	Confident	95 Å²	95	80.2 Å²	80.2	44%	0.444	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-93.5	-5.8	179.2	-72.9	161.7	-140.2	0	0	112.7	T153 N155 P156 K160	T153-E158 WeakPolarHBondContact CB-OE2 3.34Å; T153-E158 HydrophobicContact CG2-CB 3.76Å; T153-E158 PolarHBondContact OG1-OE2 2.81Å; N155-E158 HydrophobicContact CB-CB 4.41Å; N155-E158 HydrophobicContact CB-CG 4.2Å; N155-E158 WeakPolarHBondContact CB-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE1 3.39Å; N155-E158 PolarHBondContact O-N 2.84Å; N155-E158 VanDerWaalsContact O-N 3.12Å; P156-E158 PolarHBondContact O-N 2.94Å; P156-E158 VanDerWaalsContact O-N 3.13Å; E158-K160 PolarHBondContact O-N 3.2Å
159	L	86.1	Confident	83.1	Confident	12 Å²	12	85 Å²	85	6%	0.063	41%	0.405	C	S	.	.			trans	-71.6	120.5	-179.6	-63.9	178.6	0	0	0	111.6	T153 P156 G161 F163 F188 V213 L221 C246 Y249	T153-L159 HydrophobicContact CG2-CD2 3.7Å; T153-L159 HydrophobicContact CG2-CG 4.38Å; P156-L159 WeakPolarHBondContact O-CB 3.31Å; P156-L159 PolarHBondContact O-N 3.07Å; L159-G161 PolarHBondContact O-N 3.28Å; L159-G161 VanDerWaalsContact O-N 3.16Å; L159-F163 HydrophobicContact CB-CE2 4.35Å; L159-F163 HydrophobicContact CB-CZ 3.96Å; L159-F163 HydrophobicContact CD1-CE1 4.41Å; L159-F163 HydrophobicContact CD1-CZ 4.11Å; L159-F188 HydrophobicContact CD2-CE1 3.64Å; L159-F188 HydrophobicContact CD2-CZ 3.86Å; L159-V213 HydrophobicContact CD1-CB 4.42Å; L159-V213 HydrophobicContact CD1-CG1 4.05Å; L159-V213 HydrophobicContact CD1-CG2 3.51Å; L159-L221 HydrophobicContact CD1-CD1 3.96Å; L159-L221 HydrophobicContact CD1-CD2 4.32Å; L159-L221 HydrophobicContact CD2-CD1 4.44Å; L159-L221 HydrophobicContact CG-CD1 4.29Å; L159-C246 HydrophobicContact CD1-CB 3.86Å; L159-Y249 VanDerWaalsContact CA-OH 3.3Å; L159-Y249 WeakPolarHBondContact CA-OH 3.37Å; L159-Y249 HydrophobicContact CB-CE2 4.33Å; L159-Y249 HydrophobicContact CD2-CE2 4.11Å; L159-Y249 WeakPolarHBondContact CD2-OH 3.42Å
160	K	79.1	Confident	85.5	Confident	189 Å²	189	78.6 Å²	78.6	82%	0.822	38%	0.378	S	S	*	.			trans	-91.7	71	-178.2	-66.7	175.6	-175.8	172.5	0	110.2	E158 Y249	E158-K160 PolarHBondContact O-N 3.2Å; K160-Y249 PolarHBondContact N-OH 2.6Å
161	G	84.6	Confident	87.2	Confident	32 Å²	32	76.1 Å²	76.1	33%	0.33	36%	0.363	S	S	.	.	S	Bend	trans	-160.9	178.7	-179.1	0	0	0	0	0	114.2	L159 C246 R247	L159-G161 PolarHBondContact O-N 3.28Å; L159-G161 VanDerWaalsContact O-N 3.16Å; G161-C246 VanDerWaalsContact C-SG 3.58Å; G161-C246 VanDerWaalsContact CA-SG 3.5Å; G161-R247 CarbonylContact C-O 3.49Å; G161-R247 WeakPolarHBondContact CA-O 3.34Å
162	K	90.7	Very high	87.9	Confident	143 Å²	143	73.2 Å²	73.2	62%	0.622	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.6	176.4	-179.4	-175	176.5	-173.3	0	109.8	R247	K162-R247 HydrophobicContact CB-CB 4.48Å; K162-R247 PolarHBondContact N-O 3.09Å; K162-R247 PolarHBondContact O-N 3.11Å
163	F	91.9	Very high	88	Confident	78 Å²	78	80.7 Å²	80.7	34%	0.342	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.5	173.9	-75.2	-99	0	0	0	112	P156 L159 V213 E244 L245	P156-F163 WeakPolarHBondContact O-CZ 3.41Å; L159-F163 HydrophobicContact CB-CE2 4.35Å; L159-F163 HydrophobicContact CB-CZ 3.96Å; L159-F163 HydrophobicContact CD1-CE1 4.41Å; L159-F163 HydrophobicContact CD1-CZ 4.11Å; F163-V213 HydrophobicContact CE1-CG1 4.25Å; F163-V213 HydrophobicContact CE1-CG2 4.25Å; F163-E244 HydrophobicContact CD1-CG 3.91Å; F163-E244 VanDerWaalsContact CD1-OE1 3.28Å; F163-E244 WeakPolarHBondContact CD1-OE1 3.33Å; F163-E244 HydrophobicContact CE1-CG 4.47Å; F163-L245 CarbonylContact C-O 3.52Å; F163-L245 WeakPolarHBondContact CA-O 3.41Å
164	I	93.8	Very high	88.4	Confident	15 Å²	15	81.2 Å²	81.2	8%	0.077	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.1	-175.6	-59.1	177.9	0	0	0	108	K205 L245 R247	I164-K205 HydrophobicContact CG2-CB 4.04Å; I164-L245 HydrophobicContact CB-CB 4.35Å; I164-L245 PolarHBondContact N-O 2.93Å; I164-L245 PolarHBondContact O-N 3.37Å; I164-R247 HydrophobicContact CD1-CB 3.98Å
165	H	92.9	Very high	88.6	Confident	124 Å²	124	75.3 Å²	75.3	57%	0.574	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.7	176.9	-73.8	59.2	0	0	0	110.2	K205 L243 E244	H165-K205 WeakPolarHBondContact O-CD 3.42Å; H165-L243 WeakPolarHBondContact CA-O 3.46Å; H165-E244 IonicContact CE1-OE1 3.97Å; H165-E244 PolarHBondContact CE1-OE1 3.06Å; H165-E244 IonicContact NE2-OE1 3.88Å
166	T	93.3	Very high	88.9	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.037	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.5	176.7	-179.4	0	0	0	0	111.9	L168 D203 M206 L243 L245	T166-L168 HydrophobicContact CG2-CD2 4.45Å; T166-L168 HydrophobicContact CG2-CG 4.34Å; T166-L168 WeakPolarHBondContact OG1-CD2 3.41Å; T166-D203 WeakPolarHBondContact CB-OD2 3.35Å; T166-D203 PolarHBondContact OG1-OD2 3.06Å; T166-M206 HydrophobicContact CG2-CG 3.97Å; T166-M206 HydrophobicContact CG2-SD 4.02Å; T166-L243 HydrophobicContact CG2-CB 3.83Å; T166-L243 HydrophobicContact CG2-CD1 4.31Å; T166-L243 PolarHBondContact N-O 2.79Å; T166-L243 PolarHBondContact O-N 3.41Å; T166-L245 HydrophobicContact CG2-CD1 4.11Å
167	K	94.1	Very high	89.2	Confident	117 Å²	117	72.6 Å²	72.6	51%	0.509	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	94.8	179.3	-170.8	-179.2	-151	88.7	0	109.7	V241 D242	K167-V241 CarbonylContact C-O 3.58Å; K167-V241 VanDerWaalsContact CA-O 3.28Å; K167-V241 WeakPolarHBondContact CA-O 3.34Å; K167-D242 VanDerWaalsContact CG-OD1 3.25Å; K167-D242 WeakPolarHBondContact CG-OD1 3.47Å; K167-D242 IonicContact NZ-OD1 3.58Å; K167-D242 PolarHBondContact NZ-OD1 2.81Å; K167-D242 IonicContact NZ-OD2 3Å; K167-D242 PolarHBondContact NZ-OD2 2.85Å
168	L	93.9	Very high	89.4	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.9	-175.4	-57.3	-173	0	0	0	112	T166 F175 F177 A200 D203 M206 S240 V241 L243	T166-L168 HydrophobicContact CG2-CD2 4.45Å; T166-L168 HydrophobicContact CG2-CG 4.34Å; T166-L168 WeakPolarHBondContact OG1-CD2 3.41Å; L168-F175 HydrophobicContact CB-CD1 3.92Å; L168-F175 HydrophobicContact CD1-CB 4.17Å; L168-F177 HydrophobicContact CD1-CD1 4.06Å; L168-F177 HydrophobicContact CD1-CE1 3.78Å; L168-A200 HydrophobicContact CD1-CB 3.8Å; L168-A200 HydrophobicContact CD2-CB 4.43Å; L168-D203 HydrophobicContact CD2-CB 3.67Å; L168-M206 HydrophobicContact CD1-SD 3.7Å; L168-M206 HydrophobicContact CD2-SD 4.48Å; L168-M206 HydrophobicContact CG-SD 4.43Å; L168-S240 CarbonylContact O-C 3.57Å; L168-S240 VanDerWaalsContact O-CA 3.24Å; L168-S240 WeakPolarHBondContact O-CA 3.45Å; L168-V241 HydrophobicContact CB-CG1 3.95Å; L168-V241 PolarHBondContact N-O 2.98Å; L168-V241 PolarHBondContact O-N 3.08Å; L168-L243 HydrophobicContact CD1-CD1 3.86Å; L168-L243 HydrophobicContact CG-CD1 4.21Å
169	R	91.8	Very high	89.7	Confident	166 Å²	166	67.2 Å²	67.2	63%	0.626	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.1	174.7	-170.3	172	169.7	-125.8	-3.2	111.1	S171 P199 G238 A239	R169-S171 PolarHBondContact O-N 3.37Å; R169-S171 VanDerWaalsContact O-N 3.14Å; R169-P199 WeakPolarHBondContact O-CB 3.43Å; R169-P199 VanDerWaalsContact O-CG 3.24Å; R169-P199 WeakPolarHBondContact O-CG 3.4Å; R169-G238 WeakPolarHBondContact CG-O 3.32Å; R169-G238 PolarHBondContact NE-O 3.25Å; R169-A239 CarbonylContact C-O 3.52Å; R169-A239 WeakPolarHBondContact CA-O 3.39Å
170	K	92.5	Very high	89.6	Confident	28 Å²	28	67.8 Å²	67.8	12%	0.122	33%	0.333	C	S	.	.			trans	-65	113	-177.4	-164.2	171.7	-180	169.6	0	110.5	F175 F232 Q233 I235 G238 A239	K170-F175 HydrophobicContact CB-CD1 4.09Å; K170-F175 HydrophobicContact CB-CE1 3.44Å; K170-F175 VanDerWaalsContact CB-CE1 3.44Å; K170-F175 HydrophobicContact CB-CE2 4.28Å; K170-F175 HydrophobicContact CB-CZ 3.57Å; K170-F175 HydrophobicContact CD-CE1 4.42Å; K170-F175 HydrophobicContact CD-CE2 3.79Å; K170-F175 HydrophobicContact CD-CZ 3.67Å; K170-F175 HydrophobicContact CG-CD1 4.41Å; K170-F175 HydrophobicContact CG-CD2 4.35Å; K170-F175 HydrophobicContact CG-CE1 3.94Å; K170-F175 HydrophobicContact CG-CE2 3.85Å; K170-F175 HydrophobicContact CG-CZ 3.65Å; K170-F232 PolarHBondContact NZ-O 3.11Å; K170-Q233 PolarHBondContact NZ-O 2.72Å; K170-I235 HydrophobicContact CD-CB 4.46Å; K170-I235 HydrophobicContact CD-CG2 4.4Å; K170-I235 WeakPolarHBondContact CD-O 3.17Å; K170-I235 WeakPolarHBondContact CE-O 3.35Å; K170-I235 PolarHBondContact NZ-O 2.89Å; K170-G238 WeakPolarHBondContact O-CA 3.12Å; K170-G238 PolarHBondContact O-N 3.47Å; K170-A239 PolarHBondContact N-O 3Å
171	S	88.6	Confident	89.7	Confident	36 Å²	36	58.9 Å²	58.9	25%	0.252	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-80.8	173.3	172.9	79.1	0	0	0	0	111.3	R169 R173 G174	R169-S171 PolarHBondContact O-N 3.37Å; R169-S171 VanDerWaalsContact O-N 3.14Å; S171-R173 PolarHBondContact O-N 3.44Å; S171-R173 WeakPolarHBondContact OG-CA 3.37Å; S171-R173 PolarHBondContact OG-N 2.88Å; S171-G174 WeakPolarHBondContact CB-O 3.5Å; S171-G174 PolarHBondContact N-O 2.91Å; S171-G174 PolarHBondContact O-N 2.9Å; S171-G174 PolarHBondContact OG-N 3.47Å; S171-G174 PolarHBondContact OG-O 3.43Å
172	S	83.9	Confident	89.3	Confident	108 Å²	108	57.4 Å²	57.4	76%	0.755	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14	167.8	51.8	0	0	0	0	113.7
173	R	84.2	Confident	88.8	Confident	190 Å²	190	57.3 Å²	57.3	72%	0.717	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	16.8	172.3	-60.5	178.2	66.5	-158.5	-1.4	112.5	S171	S171-R173 PolarHBondContact O-N 3.44Å; S171-R173 WeakPolarHBondContact OG-CA 3.37Å; S171-R173 PolarHBondContact OG-N 2.88Å
174	G	89.6	Confident	88	Confident	22 Å²	22	58.5 Å²	58.5	23%	0.227	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	80.6	-154.1	-174.7	0	0	0	0	0	113.1	S171	S171-G174 WeakPolarHBondContact CB-O 3.5Å; S171-G174 PolarHBondContact N-O 2.91Å; S171-G174 PolarHBondContact O-N 2.9Å; S171-G174 PolarHBondContact OG-N 3.47Å; S171-G174 PolarHBondContact OG-O 3.43Å
175	F	92.4	Very high	86.9	Confident	15 Å²	15	60.5 Å²	60.5	7%	0.066	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.7	-176	-62.1	-78.9	0	0	0	114.4	L168 K170 F177 P199 A200 F232 I235 V241	L168-F175 HydrophobicContact CB-CD1 3.92Å; L168-F175 HydrophobicContact CD1-CB 4.17Å; K170-F175 HydrophobicContact CB-CD1 4.09Å; K170-F175 HydrophobicContact CB-CE1 3.44Å; K170-F175 VanDerWaalsContact CB-CE1 3.44Å; K170-F175 HydrophobicContact CB-CE2 4.28Å; K170-F175 HydrophobicContact CB-CZ 3.57Å; K170-F175 HydrophobicContact CD-CE1 4.42Å; K170-F175 HydrophobicContact CD-CE2 3.79Å; K170-F175 HydrophobicContact CD-CZ 3.67Å; K170-F175 HydrophobicContact CG-CD1 4.41Å; K170-F175 HydrophobicContact CG-CD2 4.35Å; K170-F175 HydrophobicContact CG-CE1 3.94Å; K170-F175 HydrophobicContact CG-CE2 3.85Å; K170-F175 HydrophobicContact CG-CZ 3.65Å; F175-F177 HydrophobicContact CB-CD1 3.76Å; F175-F177 HydrophobicContact CB-CE1 3.43Å; F175-F177 VanDerWaalsContact CB-CE1 3.43Å; F175-F177 HydrophobicContact CB-CZ 4.38Å; F175-F177 HydrophobicContact CG-CE1 4.26Å; F175-P199 WeakPolarHBondContact O-CB 3.2Å; F175-P199 WeakPolarHBondContact O-CD 3.27Å; F175-A200 PolarHBondContact O-N 3.34Å; F175-F232 AromaticContact CD2-CD1 3.75Å; F175-F232 HydrophobicContact CD2-CD1 3.75Å; F175-F232 HydrophobicContact CD2-CE1 4.36Å; F175-F232 HydrophobicContact CD2-CG 4.48Å; F175-F232 HydrophobicContact CE2-CB 4.23Å; F175-F232 AromaticContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CE1 4.36Å; F175-F232 HydrophobicContact CE2-CG 4.32Å; F175-F232 HydrophobicContact CZ-CD1 4.25Å; F175-I235 HydrophobicContact CZ-CB 4.28Å; F175-I235 HydrophobicContact CZ-CD1 4.23Å; F175-I235 HydrophobicContact CZ-CG2 4.05Å; F175-V241 HydrophobicContact CD1-CG1 3.7Å; F175-V241 HydrophobicContact CE1-CB 3.9Å; F175-V241 HydrophobicContact CE1-CG1 3.27Å; F175-V241 HydrophobicContact CZ-CB 4.09Å; F175-V241 HydrophobicContact CZ-CG1 3.82Å
176	G	88.8	Confident	86.3	Confident	8 Å²	8	58.3 Å²	58.3	8%	0.082	30%	0.3	C	S	.	.	S	Bend	trans	80.6	32.1	175	0	0	0	0	0	114.7	V195	G176-V195 WeakPolarHBondContact O-CB 3.42Å; G176-V195 PolarHBondContact O-N 3.49Å
177	F	92.1	Very high	86	Confident	30 Å²	30	60.6 Å²	60.6	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166	168.7	64	-93.3	0	0	0	110.4	L168 F175 V179 I191 S193 L194 A200 M206 I212 F232 L243	L168-F177 HydrophobicContact CD1-CD1 4.06Å; L168-F177 HydrophobicContact CD1-CE1 3.78Å; F175-F177 HydrophobicContact CB-CD1 3.76Å; F175-F177 HydrophobicContact CB-CE1 3.43Å; F175-F177 VanDerWaalsContact CB-CE1 3.43Å; F175-F177 HydrophobicContact CB-CZ 4.38Å; F175-F177 HydrophobicContact CG-CE1 4.26Å; F177-V179 HydrophobicContact CD2-CG2 3.82Å; F177-V179 HydrophobicContact CE2-CG2 3.57Å; F177-I191 HydrophobicContact CB-CG2 4.34Å; F177-I191 HydrophobicContact CD2-CD1 3.45Å; F177-I191 VanDerWaalsContact CD2-CD1 3.45Å; F177-I191 HydrophobicContact CE2-CD1 3.68Å; F177-I191 HydrophobicContact CG-CD1 4.1Å; F177-I191 HydrophobicContact CZ-CD1 4.48Å; F177-S193 CarbonylContact C-O 3.6Å; F177-S193 VanDerWaalsContact CA-O 3.28Å; F177-S193 WeakPolarHBondContact CA-O 3.3Å; F177-L194 HydrophobicContact CB-CD2 3.75Å; F177-A200 HydrophobicContact CB-CB 4.24Å; F177-A200 HydrophobicContact CD1-CB 3.92Å; F177-M206 HydrophobicContact CD1-CE 4.06Å; F177-M206 HydrophobicContact CD1-SD 4.47Å; F177-M206 HydrophobicContact CE1-CE 4.27Å; F177-M206 HydrophobicContact CG-CE 4.19Å; F177-I212 HydrophobicContact CE2-CD1 4.27Å; F177-F232 HydrophobicContact CE2-CE2 4.43Å; F177-F232 HydrophobicContact CE2-CZ 4.36Å; F177-F232 AromaticContact CZ-CE1 3.9Å; F177-F232 HydrophobicContact CZ-CE1 3.9Å; F177-F232 HydrophobicContact CZ-CE2 4.12Å; F177-F232 AromaticContact CZ-CZ 3.66Å; F177-F232 HydrophobicContact CZ-CZ 3.66Å; F177-L243 HydrophobicContact CE1-CD1 4.27Å; F177-L243 HydrophobicContact CZ-CD1 4.36Å
178	T	88.5	Confident	85.7	Confident	59 Å²	59	55.5 Å²	55.5	36%	0.362	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.9	169.8	60.4	0	0	0	0	110.4	I191 K192 S193	T178-I191 CarbonylContact O-C 3.53Å; T178-I191 WeakPolarHBondContact O-CA 3.48Å; T178-K192 PolarHBondContact O-N 2.93Å; T178-S193 PolarHBondContact N-O 3.32Å; T178-S193 PolarHBondContact OG1-N 2.89Å; T178-S193 VanDerWaalsContact OG1-N 3.16Å; T178-S193 PolarHBondContact OG1-OG 3.11Å
179	V	90.2	Very high	85.6	Confident	31 Å²	31	55.8 Å²	55.8	19%	0.188	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.6	-176.5	-173	0	0	0	0	109.5	F177 L189 Q190 I212	F177-V179 HydrophobicContact CD2-CG2 3.82Å; F177-V179 HydrophobicContact CE2-CG2 3.57Å; V179-L189 HydrophobicContact CG1-CB 3.87Å; V179-L189 HydrophobicContact CG1-CD2 4.04Å; V179-L189 HydrophobicContact CG1-CG 4.29Å; V179-Q190 CarbonylContact C-O 3.58Å; V179-Q190 VanDerWaalsContact CA-O 3.26Å; V179-Q190 WeakPolarHBondContact CA-O 3.48Å; V179-Q190 WeakPolarHBondContact CG1-O 3.42Å; V179-I212 HydrophobicContact CG1-CD1 4.11Å; V179-I212 HydrophobicContact CG2-CD1 3.83Å
180	V	84.1	Confident	85.5	Confident	24 Å²	24	48.1 Å²	48.1	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158	169.3	65.5	0	0	0	0	109.7	L189 Q190 K192 L251 P252	V180-L189 WeakPolarHBondContact O-CA 3.43Å; V180-Q190 HydrophobicContact CG1-CB 4.26Å; V180-Q190 PolarHBondContact N-O 2.84Å; V180-Q190 PolarHBondContact O-N 2.88Å; V180-K192 HydrophobicContact CB-CB 3.93Å; V180-K192 HydrophobicContact CB-CD 3.99Å; V180-K192 HydrophobicContact CB-CG 4.22Å; V180-K192 HydrophobicContact CG1-CB 3.97Å; V180-K192 HydrophobicContact CG1-CG 4.37Å; V180-K192 HydrophobicContact CG2-CD 4.37Å; V180-L251 HydrophobicContact CG1-CD2 3.63Å; V180-P252 HydrophobicContact CG1-CG 4.37Å; V180-P252 HydrophobicContact CG2-CG 4.4Å
181	G	81.2	Confident	85.5	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	26%	0.255	C	S	.	.			trans	75.1	176.4	-176.5	0	0	0	0	0	113.4	E187 H225	G181-E187 VanDerWaalsContact CA-CD 3.43Å; G181-E187 WeakPolarHBondContact CA-OE2 3.48Å; G181-H225 PolarHBondContact O-ND1 2.85Å
182	G	78.1	Confident	85.4	Confident	1 Å²	1	48 Å²	48	1%	0.01	26%	0.255	C	S	.	.			trans	84.5	18.8	-169.5	0	0	0	0	0	113	E184 E187 T224 H225	G182-E184 CarbonylContact C-O 3.45Å; G182-E187 PolarHBondContact N-OE2 3.18Å; G182-T224 CarbonylContact O-C 3.59Å; G182-T224 VanDerWaalsContact O-CA 3.26Å; G182-T224 WeakPolarHBondContact O-CA 3.48Å; G182-H225 PolarHBondContact O-N 3.01Å
183	D	78.3	Confident	85.4	Confident	140 Å²	140	45 Å²	45	75%	0.749	24%	0.235	S	C	*	.	S	Bend	trans	-76.5	-34.7	173.6	-72.6	-33.3	0	0	0	110.4	E187	D183-E187 PolarHBondContact N-OE2 2.6Å; D183-E187 VanDerWaalsContact N-OE2 3.08Å
184	E	75.8	Confident	85.7	Confident	103 Å²	103	38.5 Å²	38.5	48%	0.481	21%	0.214	S	C	.	.	S	Bend	trans	-95	146.6	158.7	-60.1	-171.4	129	0	0	109.7	K149 G182 D186 E187	K149-E184 IonicContact NZ-OE2 3.33Å; K149-E184 PolarHBondContact NZ-OE2 2.92Å; G182-E184 CarbonylContact C-O 3.45Å; E184-D186 PolarHBondContact O-N 3.32Å; E184-E187 HydrophobicContact CB-CB 4.41Å; E184-E187 WeakPolarHBondContact O-CB 3.25Å; E184-E187 PolarHBondContact O-N 3.17Å
185	P	71.6	Confident	85.6	Confident	58 Å²	58	39.6 Å²	39.6	38%	0.377	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.2	173.8	31.2	-36.6	0	0	0	113.2	F152 G222 T224	F152-P185 WeakPolarHBondContact CZ-O 3.23Å; P185-G222 WeakPolarHBondContact O-CA 3.5Å; P185-T224 HydrophobicContact CB-CG2 4.44Å
186	D	80.3	Confident	85	Confident	77 Å²	77	46 Å²	46	41%	0.412	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	35.2	174.5	-65.1	-57.6	0	0	0	112.5	F152 R154 E184	F152-D186 WeakPolarHBondContact CB-O 3.33Å; F152-D186 VanDerWaalsContact CD1-CA 3.48Å; F152-D186 HydrophobicContact CD1-CB 3.78Å; F152-D186 WeakPolarHBondContact CD1-OD1 3.28Å; F152-D186 VanDerWaalsContact CE1-CA 3.45Å; F152-D186 HydrophobicContact CE1-CB 4.08Å; F152-D186 VanDerWaalsContact CE1-OD1 3.29Å; F152-D186 WeakPolarHBondContact CE1-OD1 3.47Å; F152-D186 VanDerWaalsContact CG-C 3.48Å; F152-D186 HydrophobicContact CG-CB 4.37Å; F152-D186 VanDerWaalsContact CG-O 3.29Å; F152-D186 WeakPolarHBondContact CG-O 3.44Å; R154-D186 IonicContact CZ-OD1 3.69Å; R154-D186 VanDerWaalsContact CZ-OD1 3.27Å; R154-D186 IonicContact NE-OD1 2.88Å; R154-D186 PolarHBondContact NE-OD1 3.34Å; R154-D186 IonicContact NH2-OD1 3.88Å; R154-D186 PolarHBondContact NH2-OD1 3.08Å; R154-D186 IonicContact NH2-OD2 2.74Å; R154-D186 PolarHBondContact NH2-OD2 3.28Å; E184-D186 PolarHBondContact O-N 3.32Å
187	E	85.6	Confident	84.6	Confident	54 Å²	54	52.2 Å²	52.2	25%	0.252	28%	0.282	S	S	.	.	S	Bend	trans	-126.7	143.5	174.1	-170.1	-174.3	-155	0	0	111	F152 G181 G182 D183 E184	F152-E187 VanDerWaalsContact CE2-O 3.3Å; F152-E187 WeakPolarHBondContact CE2-O 3.23Å; G181-E187 VanDerWaalsContact CA-CD 3.43Å; G181-E187 WeakPolarHBondContact CA-OE2 3.48Å; G182-E187 PolarHBondContact N-OE2 3.18Å; D183-E187 PolarHBondContact N-OE2 2.6Å; D183-E187 VanDerWaalsContact N-OE2 3.08Å; E184-E187 HydrophobicContact CB-CB 4.41Å; E184-E187 WeakPolarHBondContact O-CB 3.25Å; E184-E187 PolarHBondContact O-N 3.17Å
188	F	89.1	Confident	84.4	Confident	11 Å²	11	51.1 Å²	51.1	5%	0.048	28%	0.278	C	S	.	.			trans	-77.2	131.1	176	-66	-61.1	0	0	0	111.8	F152 T153 L159 Q190 V211 L221 Y249	F152-F188 HydrophobicContact CB-CE2 4.48Å; F152-F188 HydrophobicContact CB-CZ 4.47Å; F152-F188 AromaticContact CD2-CD1 3.59Å; F152-F188 HydrophobicContact CD2-CD1 3.59Å; F152-F188 HydrophobicContact CD2-CD2 4.03Å; F152-F188 AromaticContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE1 3.55Å; F152-F188 HydrophobicContact CD2-CE2 4Å; F152-F188 AromaticContact CD2-CG 3.83Å; F152-F188 HydrophobicContact CD2-CG 3.83Å; F152-F188 AromaticContact CD2-CZ 3.78Å; F152-F188 HydrophobicContact CD2-CZ 3.78Å; F152-F188 AromaticContact CE2-CD1 3.56Å; F152-F188 HydrophobicContact CE2-CD1 3.56Å; F152-F188 AromaticContact CE2-CE1 3.76Å; F152-F188 HydrophobicContact CE2-CE1 3.76Å; F152-F188 HydrophobicContact CE2-CG 4.09Å; F152-F188 HydrophobicContact CE2-CZ 4.45Å; F152-F188 HydrophobicContact CG-CE1 4.46Å; F152-F188 HydrophobicContact CG-CZ 4.41Å; T153-F188 HydrophobicContact CG2-CZ 4.31Å; L159-F188 HydrophobicContact CD2-CE1 3.64Å; L159-F188 HydrophobicContact CD2-CZ 3.86Å; F188-Q190 HydrophobicContact CB-CG 4.43Å; F188-V211 HydrophobicContact CB-CG1 4.07Å; F188-V211 HydrophobicContact CB-CG2 4.16Å; F188-V211 HydrophobicContact CD1-CG1 3.88Å; F188-V211 HydrophobicContact CG-CG1 4.21Å; F188-V211 HydrophobicContact CG-CG2 4.33Å; F188-L221 HydrophobicContact CD1-CD2 4.12Å; F188-L221 HydrophobicContact CE1-CD2 4.26Å; F188-Y249 HydrophobicContact CD2-CD1 4Å; F188-Y249 HydrophobicContact CD2-CE1 4.24Å; F188-Y249 AromaticContact CE2-CD1 3.73Å; F188-Y249 HydrophobicContact CE2-CD1 3.73Å; F188-Y249 AromaticContact CE2-CE1 3.52Å; F188-Y249 HydrophobicContact CE2-CE1 3.52Å; F188-Y249 HydrophobicContact CZ-CD1 4.43Å; F188-Y249 AromaticContact CZ-CE1 3.87Å; F188-Y249 HydrophobicContact CZ-CE1 3.87Å
189	L	90.3	Very high	84.4	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	27%	0.268	C	S	.	.			trans	-76.5	123.6	165.9	-73.2	85.7	0	0	0	109.7	V179 V180 V211 I212 H223 V228	V179-L189 HydrophobicContact CG1-CB 3.87Å; V179-L189 HydrophobicContact CG1-CD2 4.04Å; V179-L189 HydrophobicContact CG1-CG 4.29Å; V180-L189 WeakPolarHBondContact O-CA 3.43Å; L189-V211 CarbonylContact O-C 3.53Å; L189-V211 WeakPolarHBondContact O-CA 3.21Å; L189-I212 PolarHBondContact O-N 2.77Å; L189-H223 WeakPolarHBondContact CD1-O 3.37Å; L189-V228 HydrophobicContact CD1-CG2 4.35Å; L189-V228 HydrophobicContact CD2-CB 3.54Å; L189-V228 HydrophobicContact CD2-CG1 3.9Å; L189-V228 HydrophobicContact CD2-CG2 3.54Å
190	Q	91.1	Very high	84.5	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.028	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.1	-177.3	-75.4	172.7	-65.9	0	0	113	V179 V180 F188 K192 G209 D210 V211 Y249 P250 L251	V179-Q190 CarbonylContact C-O 3.58Å; V179-Q190 VanDerWaalsContact CA-O 3.26Å; V179-Q190 WeakPolarHBondContact CA-O 3.48Å; V179-Q190 WeakPolarHBondContact CG1-O 3.42Å; V180-Q190 HydrophobicContact CG1-CB 4.26Å; V180-Q190 PolarHBondContact N-O 2.84Å; V180-Q190 PolarHBondContact O-N 2.88Å; F188-Q190 HydrophobicContact CB-CG 4.43Å; Q190-K192 PolarHBondContact O-N 3.22Å; Q190-K192 VanDerWaalsContact O-N 3.17Å; Q190-G209 PolarHBondContact NE2-O 3.15Å; Q190-D210 CarbonylContact C-O 3.59Å; Q190-D210 VanDerWaalsContact CA-O 3.31Å; Q190-D210 WeakPolarHBondContact CA-O 3.47Å; Q190-V211 HydrophobicContact CG-CB 4.29Å; Q190-V211 HydrophobicContact CG-CG2 3.62Å; Q190-Y249 PolarHBondContact NE2-O 3.39Å; Q190-P250 PolarHBondContact NE2-O 2.89Å; Q190-P250 PolarHBondContact OE1-O 2.96Å; Q190-L251 HydrophobicContact CB-CD2 3.64Å
191	I	91.3	Very high	84.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	108.2	175.7	-56.1	-57.6	0	0	0	110	F177 T178 L194 M206 T208 G209 D210 I212	F177-I191 HydrophobicContact CB-CG2 4.34Å; F177-I191 HydrophobicContact CD2-CD1 3.45Å; F177-I191 VanDerWaalsContact CD2-CD1 3.45Å; F177-I191 HydrophobicContact CE2-CD1 3.68Å; F177-I191 HydrophobicContact CG-CD1 4.1Å; F177-I191 HydrophobicContact CZ-CD1 4.48Å; T178-I191 CarbonylContact O-C 3.53Å; T178-I191 WeakPolarHBondContact O-CA 3.48Å; I191-L194 HydrophobicContact CG2-CD2 3.71Å; I191-L194 HydrophobicContact CG2-CG 4.36Å; I191-M206 HydrophobicContact CD1-CE 3.34Å; I191-M206 HydrophobicContact CG1-CE 3.61Å; I191-T208 CarbonylContact O-C 3.48Å; I191-T208 WeakPolarHBondContact O-CA 2.96Å; I191-G209 PolarHBondContact O-N 3.08Å; I191-D210 HydrophobicContact CG1-CB 4.15Å; I191-D210 WeakPolarHBondContact CG1-O 3.28Å; I191-D210 PolarHBondContact N-O 3.29Å; I191-I212 HydrophobicContact CD1-CD1 3.99Å; I191-I212 HydrophobicContact CD1-CG1 4.02Å
192	K	86.6	Confident	85	Confident	60 Å²	60	54.7 Å²	54.7	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-37.5	-179.8	-172.5	176.1	180	165.5	0	112.9	T178 V180 Q190 T208 D254 D257	T178-K192 PolarHBondContact O-N 2.93Å; V180-K192 HydrophobicContact CB-CB 3.93Å; V180-K192 HydrophobicContact CB-CD 3.99Å; V180-K192 HydrophobicContact CB-CG 4.22Å; V180-K192 HydrophobicContact CG1-CB 3.97Å; V180-K192 HydrophobicContact CG1-CG 4.37Å; V180-K192 HydrophobicContact CG2-CD 4.37Å; Q190-K192 PolarHBondContact O-N 3.22Å; Q190-K192 VanDerWaalsContact O-N 3.17Å; K192-T208 VanDerWaalsContact O-CG2 3.27Å; K192-T208 WeakPolarHBondContact O-CG2 3.34Å; K192-D254 IonicContact NZ-OD2 3.09Å; K192-D254 PolarHBondContact NZ-OD2 3.23Å; K192-D257 WeakPolarHBondContact CE-OD2 3.45Å; K192-D257 IonicContact NZ-OD2 2.88Å; K192-D257 PolarHBondContact NZ-OD2 2.94Å
193	S	84.9	Confident	85.5	Confident	47 Å²	47	57 Å²	57	33%	0.329	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	159.2	175.3	75.1	0	0	0	0	112	F177 T178	F177-S193 CarbonylContact C-O 3.6Å; F177-S193 VanDerWaalsContact CA-O 3.28Å; F177-S193 WeakPolarHBondContact CA-O 3.3Å; T178-S193 PolarHBondContact N-O 3.32Å; T178-S193 PolarHBondContact OG1-N 2.89Å; T178-S193 VanDerWaalsContact OG1-N 3.16Å; T178-S193 PolarHBondContact OG1-OG 3.11Å
194	L	89.3	Confident	86	Confident	52 Å²	52	53 Å²	53	27%	0.272	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.8	172.8	-59.3	176.4	0	0	0	109.9	F177 I191 A200 M206	F177-L194 HydrophobicContact CB-CD2 3.75Å; I191-L194 HydrophobicContact CG2-CD2 3.71Å; I191-L194 HydrophobicContact CG2-CG 4.36Å; L194-A200 HydrophobicContact CD2-CB 3.98Å; L194-M206 HydrophobicContact CD1-CB 4.43Å; L194-M206 VanDerWaalsContact CD1-O 3.25Å; L194-M206 WeakPolarHBondContact CD1-O 3.25Å; L194-M206 HydrophobicContact CD2-CB 4.15Å
195	V	88.3	Confident	86.6	Confident	46 Å²	46	52.5 Å²	52.5	28%	0.279	30%	0.299	S	S	.	.			trans	-85.4	120.5	178.2	-177.7	0	0	0	0	108.7	G176 D197 G198 A201	G176-V195 WeakPolarHBondContact O-CB 3.42Å; G176-V195 PolarHBondContact O-N 3.49Å; V195-D197 PolarHBondContact O-N 2.91Å; V195-G198 WeakPolarHBondContact O-CA 3.34Å; V195-G198 PolarHBondContact O-N 2.8Å; V195-A201 VanDerWaalsContact O-CB 3.32Å; V195-A201 WeakPolarHBondContact O-CB 3.43Å
196	L	79.1	Confident	87.6	Confident	149 Å²	149	50 Å²	50	78%	0.78	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	136.3	171.9	-66.6	167.2	0	0	0	110.7	G198	L196-G198 PolarHBondContact O-N 3.26Å; L196-G198 VanDerWaalsContact O-N 3.14Å
197	D	81.1	Confident	87.9	Confident	139 Å²	139	51.1 Å²	51.1	74%	0.743	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	13.2	-170.3	-50.9	-41.5	0	0	0	115.4	V195	V195-D197 PolarHBondContact O-N 2.91Å
198	G	86.7	Confident	88	Confident	6 Å²	6	52.4 Å²	52.4	6%	0.062	30%	0.297	C	S	.	.	S	Bend	trans	-84.4	155.3	173.2	0	0	0	0	0	112.9	V195 L196 A200 A201 L202	V195-G198 WeakPolarHBondContact O-CA 3.34Å; V195-G198 PolarHBondContact O-N 2.8Å; L196-G198 PolarHBondContact O-N 3.26Å; L196-G198 VanDerWaalsContact O-N 3.14Å; G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 2.89Å; G198-A200 VanDerWaalsContact O-N 3.16Å; G198-A201 PolarHBondContact O-N 3.17Å; G198-L202 WeakPolarHBondContact O-CG 3.39Å; G198-L202 PolarHBondContact O-N 2.9Å
199	P	90.3	Very high	87.8	Confident	23 Å²	23	52.2 Å²	52.2	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-51.4	-40.2	-177	-28.8	33.5	0	0	0	115.6	R169 F175 L202 D203	R169-P199 WeakPolarHBondContact O-CB 3.43Å; R169-P199 VanDerWaalsContact O-CG 3.24Å; R169-P199 WeakPolarHBondContact O-CG 3.4Å; F175-P199 WeakPolarHBondContact O-CB 3.2Å; F175-P199 WeakPolarHBondContact O-CD 3.27Å; P199-L202 PolarHBondContact O-N 3.49Å; P199-D203 PolarHBondContact O-N 2.78Å
200	A	90.9	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-44.1	175.5	0	0	0	0	0	113.6	L168 F175 F177 L194 G198 L202 D203 G204 M206	L168-A200 HydrophobicContact CD1-CB 3.8Å; L168-A200 HydrophobicContact CD2-CB 4.43Å; F175-A200 PolarHBondContact O-N 3.34Å; F177-A200 HydrophobicContact CB-CB 4.24Å; F177-A200 HydrophobicContact CD1-CB 3.92Å; L194-A200 HydrophobicContact CD2-CB 3.98Å; G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 2.89Å; G198-A200 VanDerWaalsContact O-N 3.16Å; A200-L202 VanDerWaalsContact C-N 3.29Å; A200-L202 PolarHBondContact O-N 2.85Å; A200-D203 PolarHBondContact O-N 2.87Å; A200-G204 PolarHBondContact O-N 2.92Å; A200-G204 VanDerWaalsContact O-N 3.1Å; A200-M206 HydrophobicContact CB-SD 3.64Å
201	A	87.5	Confident	87.9	Confident	40 Å²	40	51.7 Å²	51.7	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-30.4	176.1	0	0	0	0	0	112.4	V195 G198	V195-A201 VanDerWaalsContact O-CB 3.32Å; V195-A201 WeakPolarHBondContact O-CB 3.43Å; G198-A201 PolarHBondContact O-N 3.17Å
202	L	87.9	Confident	88.1	Confident	129 Å²	129	51.8 Å²	51.8	68%	0.675	30%	0.296	S	S	*	.	H	α-helix	trans	-76.7	-26.9	176.2	-67.6	172.2	0	0	0	113.5	G198 P199 A200	G198-L202 WeakPolarHBondContact O-CG 3.39Å; G198-L202 PolarHBondContact O-N 2.9Å; P199-L202 PolarHBondContact O-N 3.49Å; A200-L202 VanDerWaalsContact C-N 3.29Å; A200-L202 PolarHBondContact O-N 2.85Å
203	D	89.3	Confident	88.4	Confident	49 Å²	49	48.9 Å²	48.9	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-78	-30.1	170.8	-174.5	73.9	0	0	0	112.3	T166 L168 P199 A200 K205	T166-D203 WeakPolarHBondContact CB-OD2 3.35Å; T166-D203 PolarHBondContact OG1-OD2 3.06Å; L168-D203 HydrophobicContact CD2-CB 3.67Å; P199-D203 PolarHBondContact O-N 2.78Å; A200-D203 PolarHBondContact O-N 2.87Å; D203-K205 PolarHBondContact O-N 3.09Å; D203-K205 VanDerWaalsContact O-N 3.11Å; D203-K205 IonicContact OD1-NZ 3.54Å; D203-K205 PolarHBondContact OD1-NZ 3.48Å; D203-K205 WeakPolarHBondContact OD2-CB 3.42Å; D203-K205 VanDerWaalsContact OD2-CG 3.27Å; D203-K205 WeakPolarHBondContact OD2-CG 3.35Å; D203-K205 IonicContact OD2-NZ 3.63Å; D203-K205 PolarHBondContact OD2-NZ 3.39Å
204	G	88.4	Confident	88.8	Confident	56 Å²	56	47.3 Å²	47.3	58%	0.577	27%	0.272	S	S	*	.			trans	70.7	3.9	167.8	0	0	0	0	0	116.3	A200	A200-G204 PolarHBondContact O-N 2.92Å; A200-G204 VanDerWaalsContact O-N 3.1Å
205	K	89.1	Confident	89	Confident	94 Å²	94	44.9 Å²	44.9	41%	0.409	26%	0.26	S	S	.	.			trans	-87.4	-26.4	177.5	-58.4	-172.2	-158.1	83.1	0	113.8	I164 H165 D203 R247	I164-K205 HydrophobicContact CG2-CB 4.04Å; H165-K205 WeakPolarHBondContact O-CD 3.42Å; D203-K205 PolarHBondContact O-N 3.09Å; D203-K205 VanDerWaalsContact O-N 3.11Å; D203-K205 IonicContact OD1-NZ 3.54Å; D203-K205 PolarHBondContact OD1-NZ 3.48Å; D203-K205 WeakPolarHBondContact OD2-CB 3.42Å; D203-K205 VanDerWaalsContact OD2-CG 3.27Å; D203-K205 WeakPolarHBondContact OD2-CG 3.35Å; D203-K205 IonicContact OD2-NZ 3.63Å; D203-K205 PolarHBondContact OD2-NZ 3.39Å; K205-R247 PolarHBondContact O-NH2 2.83Å
206	M	91.9	Very high	89	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.025	26%	0.261	C	S	.	.			trans	-82	144.9	-178.3	-57.6	-176.8	61.7	0	0	111.1	T166 L168 F177 I191 L194 A200 L245	T166-M206 HydrophobicContact CG2-CG 3.97Å; T166-M206 HydrophobicContact CG2-SD 4.02Å; L168-M206 HydrophobicContact CD1-SD 3.7Å; L168-M206 HydrophobicContact CD2-SD 4.48Å; L168-M206 HydrophobicContact CG-SD 4.43Å; F177-M206 HydrophobicContact CD1-CE 4.06Å; F177-M206 HydrophobicContact CD1-SD 4.47Å; F177-M206 HydrophobicContact CE1-CE 4.27Å; F177-M206 HydrophobicContact CG-CE 4.19Å; I191-M206 HydrophobicContact CD1-CE 3.34Å; I191-M206 HydrophobicContact CG1-CE 3.61Å; L194-M206 HydrophobicContact CD1-CB 4.43Å; L194-M206 VanDerWaalsContact CD1-O 3.25Å; L194-M206 WeakPolarHBondContact CD1-O 3.25Å; L194-M206 HydrophobicContact CD2-CB 4.15Å; A200-M206 HydrophobicContact CB-SD 3.64Å; M206-L245 HydrophobicContact CB-CD1 4.37Å; M206-L245 HydrophobicContact CE-CD1 3.8Å; M206-L245 HydrophobicContact CG-CD1 3.59Å; M206-L245 HydrophobicContact SD-CD1 4.13Å
207	E	87.1	Confident	89.3	Confident	101 Å²	101	45.7 Å²	45.7	47%	0.472	26%	0.263	S	S	.	.			trans	-130	166.3	170.6	-78.7	159.5	-140	0	0	110.9	D210 R247	E207-D210 PolarHBondContact N-OD2 3.01Å; E207-D210 PolarHBondContact O-N 2.83Å; E207-R247 IonicContact OE1-CZ 3.28Å; E207-R247 IonicContact OE1-NH1 3.72Å; E207-R247 PolarHBondContact OE1-NH1 3.47Å; E207-R247 IonicContact OE1-NH2 2.8Å; E207-R247 IonicContact OE2-CZ 2.74Å; E207-R247 IonicContact OE2-NE 3.92Å; E207-R247 IonicContact OE2-NH1 3.79Å; E207-R247 PolarHBondContact OE2-NH1 2.93Å; E207-R247 IonicContact OE2-NH2 2.65Å
208	T	87.3	Confident	89.7	Confident	80 Å²	80	42.6 Å²	42.6	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	124.8	176.2	-65.1	0	0	0	0	109.5	I191 K192 L251	I191-T208 CarbonylContact O-C 3.48Å; I191-T208 WeakPolarHBondContact O-CA 2.96Å; K192-T208 VanDerWaalsContact O-CG2 3.27Å; K192-T208 WeakPolarHBondContact O-CG2 3.34Å; T208-L251 HydrophobicContact CG2-CD1 3.61Å
209	G	84.6	Confident	89.9	Confident	8 Å²	8	44.5 Å²	44.5	8%	0.082	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	-10.6	-172.3	0	0	0	0	0	115.8	Q190 I191 V211	Q190-G209 PolarHBondContact NE2-O 3.15Å; I191-G209 PolarHBondContact O-N 3.08Å; G209-V211 PolarHBondContact O-N 3.28Å
210	D	92.5	Very high	89.9	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60.6	127.4	173.1	-72.8	-15.7	0	0	0	110.6	Q190 I191 E207 L245 R247	Q190-D210 CarbonylContact C-O 3.59Å; Q190-D210 VanDerWaalsContact CA-O 3.31Å; Q190-D210 WeakPolarHBondContact CA-O 3.47Å; I191-D210 HydrophobicContact CG1-CB 4.15Å; I191-D210 WeakPolarHBondContact CG1-O 3.28Å; I191-D210 PolarHBondContact N-O 3.29Å; E207-D210 PolarHBondContact N-OD2 3.01Å; E207-D210 PolarHBondContact O-N 2.83Å; D210-L245 HydrophobicContact CB-CB 4.29Å; D210-L245 HydrophobicContact CB-CD1 4.45Å; D210-R247 VanDerWaalsContact OD1-CB 3.23Å; D210-R247 WeakPolarHBondContact OD1-CB 3.38Å; D210-R247 VanDerWaalsContact OD1-CG 3.28Å; D210-R247 WeakPolarHBondContact OD1-CG 3.5Å; D210-R247 IonicContact OD1-CZ 2.68Å; D210-R247 IonicContact OD1-NE 3.71Å; D210-R247 PolarHBondContact OD1-NE 3.48Å; D210-R247 IonicContact OD1-NH2 2.69Å; D210-R247 PolarHBondContact OD1-NH2 2.99Å; D210-R247 IonicContact OD2-CZ 2.71Å; D210-R247 IonicContact OD2-NE 3.35Å; D210-R247 IonicContact OD2-NH2 2.68Å; D210-R247 PolarHBondContact OD2-NH2 3.32Å
211	V	92.4	Very high	89.8	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.5	174.2	175.6	0	0	0	0	109.2	F188 L189 Q190 G209 L221 L245 C246 Y249	F188-V211 HydrophobicContact CB-CG1 4.07Å; F188-V211 HydrophobicContact CB-CG2 4.16Å; F188-V211 HydrophobicContact CD1-CG1 3.88Å; F188-V211 HydrophobicContact CG-CG1 4.21Å; F188-V211 HydrophobicContact CG-CG2 4.33Å; L189-V211 CarbonylContact O-C 3.53Å; L189-V211 WeakPolarHBondContact O-CA 3.21Å; Q190-V211 HydrophobicContact CG-CB 4.29Å; Q190-V211 HydrophobicContact CG-CG2 3.62Å; G209-V211 PolarHBondContact O-N 3.28Å; V211-L221 HydrophobicContact CG1-CD2 4.11Å; V211-L245 CarbonylContact O-C 3.56Å; V211-L245 WeakPolarHBondContact O-CA 3.23Å; V211-C246 HydrophobicContact CB-CB 4.4Å; V211-C246 PolarHBondContact N-O 2.75Å; V211-C246 PolarHBondContact O-N 2.79Å; V211-Y249 HydrophobicContact CG2-CD2 3.72Å; V211-Y249 HydrophobicContact CG2-CG 3.71Å
212	I	94.1	Very high	89.6	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.7	171.9	-46.8	-179.9	0	0	0	108.7	F177 V179 L189 I191 V215 V220 F232 L245	F177-I212 HydrophobicContact CE2-CD1 4.27Å; V179-I212 HydrophobicContact CG1-CD1 4.11Å; V179-I212 HydrophobicContact CG2-CD1 3.83Å; L189-I212 PolarHBondContact O-N 2.77Å; I191-I212 HydrophobicContact CD1-CD1 3.99Å; I191-I212 HydrophobicContact CD1-CG1 4.02Å; I212-V215 HydrophobicContact CG2-CG2 3.93Å; I212-V220 HydrophobicContact CB-CG2 4.23Å; I212-V220 HydrophobicContact CG2-CG2 3.66Å; I212-F232 HydrophobicContact CD1-CE2 4.22Å; I212-L245 HydrophobicContact CB-CD2 4.24Å; I212-L245 HydrophobicContact CG1-CD2 4.09Å; I212-L245 HydrophobicContact CG2-CD2 4.17Å
213	V	93.1	Very high	89.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-51.2	-176.6	-175.5	0	0	0	0	111.2	P156 L159 F163 C219 V220 L221 E244 C246	P156-V213 HydrophobicContact CB-CG1 3.8Å; P156-V213 HydrophobicContact CG-CG1 3.85Å; L159-V213 HydrophobicContact CD1-CB 4.42Å; L159-V213 HydrophobicContact CD1-CG1 4.05Å; L159-V213 HydrophobicContact CD1-CG2 3.51Å; F163-V213 HydrophobicContact CE1-CG1 4.25Å; F163-V213 HydrophobicContact CE1-CG2 4.25Å; V213-C219 CarbonylContact O-C 3.51Å; V213-C219 WeakPolarHBondContact O-CA 3.01Å; V213-V220 PolarHBondContact O-N 2.96Å; V213-L221 HydrophobicContact CG1-CD1 4.24Å; V213-L221 HydrophobicContact CG1-CG 4.31Å; V213-E244 HydrophobicContact CB-CB 4.35Å; V213-E244 HydrophobicContact CB-CG 4.15Å; V213-E244 WeakPolarHBondContact CB-O 3.35Å; V213-E244 PolarHBondContact N-O 3.07Å; V213-C246 HydrophobicContact CG2-CB 3.64Å
214	S	92.9	Very high	89.5	Confident	13 Å²	13	38.7 Å²	38.7	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.7	178.7	74.8	0	0	0	0	112.7	T218 E244	S214-T218 CarbonylContact C-O 3.58Å; S214-T218 WeakPolarHBondContact CA-O 3.37Å; S214-T218 WeakPolarHBondContact CB-O 3.38Å; S214-E244 PolarHBondContact N-O 3.42Å; S214-E244 PolarHBondContact O-N 2.83Å; S214-E244 WeakPolarHBondContact OG-CB 3.32Å; S214-E244 PolarHBondContact OG-OE2 3.37Å
215	V	93.8	Very high	89.4	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	112.5	-177.7	-175.4	0	0	0	0	108.4	I212 T218 V220 I231 F232 V241 L243	I212-V215 HydrophobicContact CG2-CG2 3.93Å; V215-T218 PolarHBondContact N-O 3.29Å; V215-T218 WeakPolarHBondContact O-CB 3.48Å; V215-T218 PolarHBondContact O-N 3.46Å; V215-T218 VanDerWaalsContact O-N 3.17Å; V215-V220 HydrophobicContact CB-CG1 4.13Å; V215-V220 HydrophobicContact CG2-CB 4.49Å; V215-V220 HydrophobicContact CG2-CG1 3.74Å; V215-V220 HydrophobicContact CG2-CG2 3.93Å; V215-I231 HydrophobicContact CB-CG2 4.18Å; V215-I231 HydrophobicContact CG1-CG2 3.62Å; V215-F232 HydrophobicContact CG1-CE1 4.15Å; V215-F232 HydrophobicContact CG1-CZ 4.29Å; V215-F232 HydrophobicContact CG2-CE2 4.33Å; V215-F232 HydrophobicContact CG2-CZ 3.97Å; V215-V241 HydrophobicContact CG1-CG2 3.57Å; V215-L243 HydrophobicContact CB-CD2 4.09Å; V215-L243 HydrophobicContact CG1-CD2 3.84Å; V215-L243 HydrophobicContact CG2-CD2 3.72Å
216	N	89.8	Confident	89.2	Confident	58 Å²	58	37 Å²	37	31%	0.31	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	61.2	-170	-60.8	-27.6	0	0	0	111.4	T218 V241 D242	N216-T218 PolarHBondContact O-N 3.05Å; N216-T218 PolarHBondContact O-OG1 3.45Å; N216-V241 WeakPolarHBondContact OD1-CA 3.35Å; N216-V241 WeakPolarHBondContact OD1-CG2 3.19Å; N216-D242 PolarHBondContact N-O 3.38Å; N216-D242 PolarHBondContact OD1-N 3.06Å
217	D	85.4	Confident	89	Confident	154 Å²	154	40.9 Å²	40.9	82%	0.824	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-0.8	-180	-45	-49	0	0	0	115.8
218	T	88.8	Confident	89.1	Confident	74 Å²	74	36.1 Å²	36.1	45%	0.454	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.2	175.3	-53.2	0	0	0	0	109.4	S214 V215 N216 V220	S214-T218 CarbonylContact C-O 3.58Å; S214-T218 WeakPolarHBondContact CA-O 3.37Å; S214-T218 WeakPolarHBondContact CB-O 3.38Å; V215-T218 PolarHBondContact N-O 3.29Å; V215-T218 WeakPolarHBondContact O-CB 3.48Å; V215-T218 PolarHBondContact O-N 3.46Å; V215-T218 VanDerWaalsContact O-N 3.17Å; N216-T218 PolarHBondContact O-N 3.05Å; N216-T218 PolarHBondContact O-OG1 3.45Å; T218-V220 PolarHBondContact O-N 3.47Å
219	C	89.7	Confident	89.2	Confident	46 Å²	46	34.7 Å²	34.7	31%	0.311	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	126	172.5	-175	0	0	0	0	110.2	V213 H223	V213-C219 CarbonylContact O-C 3.51Å; V213-C219 WeakPolarHBondContact O-CA 3.01Å; C219-H223 PolarHBondContact O-CE1 3.35Å
220	V	91.1	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	-109.6	4.3	179.2	-63.6	0	0	0	0	113.5	I212 V213 V215 T218 H223 V228 I231	I212-V220 HydrophobicContact CB-CG2 4.23Å; I212-V220 HydrophobicContact CG2-CG2 3.66Å; V213-V220 PolarHBondContact O-N 2.96Å; V215-V220 HydrophobicContact CB-CG1 4.13Å; V215-V220 HydrophobicContact CG2-CB 4.49Å; V215-V220 HydrophobicContact CG2-CG1 3.74Å; V215-V220 HydrophobicContact CG2-CG2 3.93Å; T218-V220 PolarHBondContact O-N 3.47Å; V220-H223 WeakPolarHBondContact O-CB 3.33Å; V220-H223 PolarHBondContact O-N 2.76Å; V220-V228 HydrophobicContact CB-CG2 3.83Å; V220-V228 HydrophobicContact CG1-CG2 4.14Å; V220-V228 HydrophobicContact CG2-CG2 4.47Å; V220-I231 HydrophobicContact CG1-CD1 3.86Å
221	L	88.8	Confident	89.3	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.063	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	144.2	162.3	-53	177.6	0	0	0	109	P156 L159 F188 V211 V213 H223	P156-L221 HydrophobicContact CB-CD1 4.47Å; P156-L221 HydrophobicContact CG-CD1 3.97Å; L159-L221 HydrophobicContact CD1-CD1 3.96Å; L159-L221 HydrophobicContact CD1-CD2 4.32Å; L159-L221 HydrophobicContact CD2-CD1 4.44Å; L159-L221 HydrophobicContact CG-CD1 4.29Å; F188-L221 HydrophobicContact CD1-CD2 4.12Å; F188-L221 HydrophobicContact CE1-CD2 4.26Å; V211-L221 HydrophobicContact CG1-CD2 4.11Å; V213-L221 HydrophobicContact CG1-CD1 4.24Å; V213-L221 HydrophobicContact CG1-CG 4.31Å; L221-H223 PolarHBondContact O-N 3.01Å; L221-H223 PolarHBondContact O-ND1 3.12Å; L221-H223 VanDerWaalsContact O-ND1 3.15Å
222	G	82.9	Confident	89.2	Confident	16 Å²	16	43.9 Å²	43.9	17%	0.165	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-2.1	-176.9	0	0	0	0	0	115.3	P185	P185-G222 WeakPolarHBondContact O-CA 3.5Å
223	H	87.9	Confident	88.9	Confident	51 Å²	51	50.2 Å²	50.2	24%	0.236	27%	0.272	C	S	.	.			trans	-89.5	149.4	176.3	-68.5	56.4	0	0	0	110.8	L189 C219 V220 L221 Q227 V228	L189-H223 WeakPolarHBondContact CD1-O 3.37Å; C219-H223 PolarHBondContact O-CE1 3.35Å; V220-H223 WeakPolarHBondContact O-CB 3.33Å; V220-H223 PolarHBondContact O-N 2.76Å; L221-H223 PolarHBondContact O-N 3.01Å; L221-H223 PolarHBondContact O-ND1 3.12Å; L221-H223 VanDerWaalsContact O-ND1 3.15Å; H223-Q227 HydrophobicContact CB-CB 4.22Å; H223-V228 HydrophobicContact CB-CG2 3.7Å
224	T	88.5	Confident	88.7	Confident	40 Å²	40	54.8 Å²	54.8	25%	0.245	30%	0.303	C	S	.	.			trans	-75.4	157.1	169.5	59.8	0	0	0	0	111.9	G182 P185 A226 Q227 V228	G182-T224 CarbonylContact O-C 3.59Å; G182-T224 VanDerWaalsContact O-CA 3.26Å; G182-T224 WeakPolarHBondContact O-CA 3.48Å; P185-T224 HydrophobicContact CB-CG2 4.44Å; T224-A226 PolarHBondContact O-N 3.08Å; T224-Q227 WeakPolarHBondContact O-CB 3.43Å; T224-Q227 PolarHBondContact O-N 2.94Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 3.45Å; T224-Q227 PolarHBondContact OG1-OE1 3.32Å; T224-V228 PolarHBondContact O-N 2.77Å; T224-V228 VanDerWaalsContact O-N 3.09Å
225	H	85.8	Confident	88.6	Confident	56 Å²	56	54.8 Å²	54.8	26%	0.259	30%	0.302	S	S	.	.	H	α-helix	trans	-49.6	-43	172.8	-164.6	104.2	0	0	0	111.6	G181 G182 Q227 V228 V229	G181-H225 PolarHBondContact O-ND1 2.85Å; G182-H225 PolarHBondContact O-N 3.01Å; H225-Q227 PolarHBondContact O-N 3.26Å; H225-V228 PolarHBondContact O-N 3.18Å; H225-V229 VanDerWaalsContact O-CB 3.29Å; H225-V229 WeakPolarHBondContact O-CB 3.16Å; H225-V229 VanDerWaalsContact O-CG2 3.25Å; H225-V229 WeakPolarHBondContact O-CG2 3.47Å; H225-V229 PolarHBondContact O-N 3.5Å
226	A	85.5	Confident	88.4	Confident	58 Å²	58	58.9 Å²	58.9	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-32	178.3	0	0	0	0	0	113.8	T224 K230	T224-A226 PolarHBondContact O-N 3.08Å; A226-K230 WeakPolarHBondContact O-CD 3.27Å; A226-K230 VanDerWaalsContact O-CG 3.25Å; A226-K230 WeakPolarHBondContact O-CG 3.45Å; A226-K230 PolarHBondContact O-N 3.34Å
227	Q	87.8	Confident	88.4	Confident	87 Å²	87	61.9 Å²	61.9	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-73.1	-47.6	174.5	-75.2	160	-52.6	0	0	111.1	H223 T224 H225 V229 K230 I231	H223-Q227 HydrophobicContact CB-CB 4.22Å; T224-Q227 WeakPolarHBondContact O-CB 3.43Å; T224-Q227 PolarHBondContact O-N 2.94Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 3.45Å; T224-Q227 PolarHBondContact OG1-OE1 3.32Å; H225-Q227 PolarHBondContact O-N 3.26Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; Q227-V229 PolarHBondContact O-N 3.05Å; Q227-K230 WeakPolarHBondContact O-CB 3.32Å; Q227-K230 PolarHBondContact O-N 3.45Å; Q227-I231 PolarHBondContact O-N 3.18Å; Q227-I231 VanDerWaalsContact O-N 3.12Å
228	V	88.3	Confident	88.4	Confident	2 Å²	2	56 Å²	56	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-35.8	-179.7	-177.4	0	0	0	0	111.5	L189 V220 H223 T224 H225 K230 I231 F232	L189-V228 HydrophobicContact CD1-CG2 4.35Å; L189-V228 HydrophobicContact CD2-CB 3.54Å; L189-V228 HydrophobicContact CD2-CG1 3.9Å; L189-V228 HydrophobicContact CD2-CG2 3.54Å; V220-V228 HydrophobicContact CB-CG2 3.83Å; V220-V228 HydrophobicContact CG1-CG2 4.14Å; V220-V228 HydrophobicContact CG2-CG2 4.47Å; H223-V228 HydrophobicContact CB-CG2 3.7Å; T224-V228 PolarHBondContact O-N 2.77Å; T224-V228 VanDerWaalsContact O-N 3.09Å; H225-V228 PolarHBondContact O-N 3.18Å; V228-K230 VanDerWaalsContact C-N 3.35Å; V228-K230 PolarHBondContact O-N 2.98Å; V228-I231 PolarHBondContact O-N 2.75Å; V228-F232 HydrophobicContact CG1-CD2 3.76Å; V228-F232 HydrophobicContact CG1-CE2 3.56Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 2.86Å
229	V	89.1	Confident	88.5	Confident	50 Å²	50	54.1 Å²	54.1	30%	0.303	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-37.1	170.5	166.9	0	0	0	0	112.1	H225 Q227 F232 Q233	H225-V229 VanDerWaalsContact O-CB 3.29Å; H225-V229 WeakPolarHBondContact O-CB 3.16Å; H225-V229 VanDerWaalsContact O-CG2 3.25Å; H225-V229 WeakPolarHBondContact O-CG2 3.47Å; H225-V229 PolarHBondContact O-N 3.5Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; Q227-V229 PolarHBondContact O-N 3.05Å; V229-F232 PolarHBondContact O-N 2.77Å; V229-Q233 HydrophobicContact CG1-CG 4.23Å; V229-Q233 VanDerWaalsContact O-CB 3.3Å; V229-Q233 WeakPolarHBondContact O-CB 3.15Å; V229-Q233 WeakPolarHBondContact O-CG 3.34Å; V229-Q233 PolarHBondContact O-N 3.38Å
230	K	88.5	Confident	88.6	Confident	141 Å²	141	54.5 Å²	54.5	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-40.8	172.9	-73.5	164	-174.6	174.3	0	111.7	A226 Q227 V228 Q233 S234	A226-K230 WeakPolarHBondContact O-CD 3.27Å; A226-K230 VanDerWaalsContact O-CG 3.25Å; A226-K230 WeakPolarHBondContact O-CG 3.45Å; A226-K230 PolarHBondContact O-N 3.34Å; Q227-K230 WeakPolarHBondContact O-CB 3.32Å; Q227-K230 PolarHBondContact O-N 3.45Å; V228-K230 VanDerWaalsContact C-N 3.35Å; V228-K230 PolarHBondContact O-N 2.98Å; K230-Q233 PolarHBondContact O-N 3.39Å; K230-S234 PolarHBondContact O-N 2.85Å
231	I	90.5	Very high	88.7	Confident	40 Å²	40	54.5 Å²	54.5	21%	0.205	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-49.6	175.5	-59.5	169.8	0	0	0	110.2	V215 V220 Q227 V228 Q233 S234 I235	V215-I231 HydrophobicContact CB-CG2 4.18Å; V215-I231 HydrophobicContact CG1-CG2 3.62Å; V220-I231 HydrophobicContact CG1-CD1 3.86Å; Q227-I231 PolarHBondContact O-N 3.18Å; Q227-I231 VanDerWaalsContact O-N 3.12Å; V228-I231 PolarHBondContact O-N 2.75Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 3.35Å; I231-S234 PolarHBondContact O-N 3.41Å; I231-S234 PolarHBondContact O-OG 2.83Å; I231-I235 WeakPolarHBondContact O-CG1 3.08Å
232	F	91	Very high	88.9	Confident	21 Å²	21	56.7 Å²	56.7	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-25.8	176.4	-77.1	-60.7	0	0	0	113.8	K170 F175 F177 I212 V215 V228 V229 V241 L243	K170-F232 PolarHBondContact NZ-O 3.11Å; F175-F232 AromaticContact CD2-CD1 3.75Å; F175-F232 HydrophobicContact CD2-CD1 3.75Å; F175-F232 HydrophobicContact CD2-CE1 4.36Å; F175-F232 HydrophobicContact CD2-CG 4.48Å; F175-F232 HydrophobicContact CE2-CB 4.23Å; F175-F232 AromaticContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CD1 3.53Å; F175-F232 HydrophobicContact CE2-CE1 4.36Å; F175-F232 HydrophobicContact CE2-CG 4.32Å; F175-F232 HydrophobicContact CZ-CD1 4.25Å; F177-F232 HydrophobicContact CE2-CE2 4.43Å; F177-F232 HydrophobicContact CE2-CZ 4.36Å; F177-F232 AromaticContact CZ-CE1 3.9Å; F177-F232 HydrophobicContact CZ-CE1 3.9Å; F177-F232 HydrophobicContact CZ-CE2 4.12Å; F177-F232 AromaticContact CZ-CZ 3.66Å; F177-F232 HydrophobicContact CZ-CZ 3.66Å; I212-F232 HydrophobicContact CD1-CE2 4.22Å; V215-F232 HydrophobicContact CG1-CE1 4.15Å; V215-F232 HydrophobicContact CG1-CZ 4.29Å; V215-F232 HydrophobicContact CG2-CE2 4.33Å; V215-F232 HydrophobicContact CG2-CZ 3.97Å; V228-F232 HydrophobicContact CG1-CD2 3.76Å; V228-F232 HydrophobicContact CG1-CE2 3.56Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 2.86Å; V229-F232 PolarHBondContact O-N 2.77Å; F232-V241 HydrophobicContact CE1-CG1 4.46Å; F232-V241 HydrophobicContact CE1-CG2 4.29Å; F232-L243 HydrophobicContact CE1-CD1 4.29Å; F232-L243 HydrophobicContact CE1-CD2 3.72Å; F232-L243 HydrophobicContact CZ-CD1 4.37Å; F232-L243 HydrophobicContact CZ-CD2 3.63Å
233	Q	88.1	Confident	89.5	Confident	135 Å²	135	56.2 Å²	56.2	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-74.8	-42	175.1	-78.7	-179.8	19	0	0	112.7	K170 V229 K230 I231 I235	K170-Q233 PolarHBondContact NZ-O 2.72Å; V229-Q233 HydrophobicContact CG1-CG 4.23Å; V229-Q233 VanDerWaalsContact O-CB 3.3Å; V229-Q233 WeakPolarHBondContact O-CB 3.15Å; V229-Q233 WeakPolarHBondContact O-CG 3.34Å; V229-Q233 PolarHBondContact O-N 3.38Å; K230-Q233 PolarHBondContact O-N 3.39Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 3.35Å; Q233-I235 VanDerWaalsContact C-N 3.31Å; Q233-I235 PolarHBondContact O-N 2.8Å
234	S	89.2	Confident	89.8	Confident	95 Å²	95	55.7 Å²	55.7	66%	0.664	32%	0.318	S	S	*	.	H	α-helix	trans	-64	-32.6	-175.1	69.7	0	0	0	0	113.7	K230 I231	K230-S234 PolarHBondContact O-N 2.85Å; I231-S234 PolarHBondContact O-N 3.41Å; I231-S234 PolarHBondContact O-OG 2.83Å
235	I	90.3	Very high	90.1	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.067	31%	0.306	C	S	.	.	S	Bend	trans	-61.3	124.9	177.3	-59.5	172.2	0	0	0	109.6	K170 F175 I231 Q233 A239 V241	K170-I235 HydrophobicContact CD-CB 4.46Å; K170-I235 HydrophobicContact CD-CG2 4.4Å; K170-I235 WeakPolarHBondContact CD-O 3.17Å; K170-I235 WeakPolarHBondContact CE-O 3.35Å; K170-I235 PolarHBondContact NZ-O 2.89Å; F175-I235 HydrophobicContact CZ-CB 4.28Å; F175-I235 HydrophobicContact CZ-CD1 4.23Å; F175-I235 HydrophobicContact CZ-CG2 4.05Å; I231-I235 WeakPolarHBondContact O-CG1 3.08Å; Q233-I235 VanDerWaalsContact C-N 3.31Å; Q233-I235 PolarHBondContact O-N 2.8Å; I235-A239 HydrophobicContact CG2-CB 4.19Å; I235-V241 HydrophobicContact CD1-CB 3.72Å; I235-V241 HydrophobicContact CD1-CG2 3.45Å; I235-V241 VanDerWaalsContact CD1-CG2 3.45Å
236	P	89.3	Confident	90.5	Very high	88 Å²	88	51.1 Å²	51.1	57%	0.571	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-73.4	154.3	-175.6	26.4	-31.9	0	0	0	113	G238 A239	P236-G238 PolarHBondContact O-N 2.82Å; P236-A239 HydrophobicContact CG-CB 3.87Å; P236-A239 WeakPolarHBondContact O-CB 3.43Å; P236-A239 PolarHBondContact O-N 2.83Å
237	I	90.3	Very high	90.7	Very high	120 Å²	120	51.1 Å²	51.1	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	131.3	176.9	-63.3	169.1	0	0	0	109.3
238	G	85.5	Confident	90.4	Very high	30 Å²	30	49.8 Å²	49.8	31%	0.309	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-14.7	-177.6	0	0	0	0	0	115	R169 K170 P236	R169-G238 WeakPolarHBondContact CG-O 3.32Å; R169-G238 PolarHBondContact NE-O 3.25Å; K170-G238 WeakPolarHBondContact O-CA 3.12Å; K170-G238 PolarHBondContact O-N 3.47Å; P236-G238 PolarHBondContact O-N 2.82Å
239	A	91.1	Very high	90	Very high	36 Å²	36	51.4 Å²	51.4	30%	0.298	30%	0.297	S	S	.	.			trans	-79.1	164.3	169.7	0	0	0	0	0	111.8	R169 K170 I235 P236	R169-A239 CarbonylContact C-O 3.52Å; R169-A239 WeakPolarHBondContact CA-O 3.39Å; K170-A239 PolarHBondContact N-O 3Å; I235-A239 HydrophobicContact CG2-CB 4.19Å; P236-A239 HydrophobicContact CG-CB 3.87Å; P236-A239 WeakPolarHBondContact O-CB 3.43Å; P236-A239 PolarHBondContact O-N 2.83Å
240	S	90.4	Very high	89.2	Confident	53 Å²	53	53.8 Å²	53.8	37%	0.371	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	151	175.6	-59.6	0	0	0	0	111.7	L168	L168-S240 CarbonylContact O-C 3.57Å; L168-S240 VanDerWaalsContact O-CA 3.24Å; L168-S240 WeakPolarHBondContact O-CA 3.45Å
241	V	94	Very high	88.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.5	167.3	67.1	0	0	0	0	108.1	K167 L168 F175 V215 N216 F232 I235 L243	K167-V241 CarbonylContact C-O 3.58Å; K167-V241 VanDerWaalsContact CA-O 3.28Å; K167-V241 WeakPolarHBondContact CA-O 3.34Å; L168-V241 HydrophobicContact CB-CG1 3.95Å; L168-V241 PolarHBondContact N-O 2.98Å; L168-V241 PolarHBondContact O-N 3.08Å; F175-V241 HydrophobicContact CD1-CG1 3.7Å; F175-V241 HydrophobicContact CE1-CB 3.9Å; F175-V241 HydrophobicContact CE1-CG1 3.27Å; F175-V241 HydrophobicContact CZ-CB 4.09Å; F175-V241 HydrophobicContact CZ-CG1 3.82Å; V215-V241 HydrophobicContact CG1-CG2 3.57Å; N216-V241 WeakPolarHBondContact OD1-CA 3.35Å; N216-V241 WeakPolarHBondContact OD1-CG2 3.19Å; F232-V241 HydrophobicContact CE1-CG1 4.46Å; F232-V241 HydrophobicContact CE1-CG2 4.29Å; I235-V241 HydrophobicContact CD1-CB 3.72Å; I235-V241 HydrophobicContact CD1-CG2 3.45Å; I235-V241 VanDerWaalsContact CD1-CG2 3.45Å; V241-L243 HydrophobicContact CG1-CD1 4.13Å; V241-L243 HydrophobicContact CG1-CD2 4.38Å; V241-L243 HydrophobicContact CG1-CG 4.02Å; V241-L243 HydrophobicContact CG2-CD2 3.84Å; V241-L243 HydrophobicContact CG2-CG 4.22Å
242	D	93.8	Very high	87.1	Confident	59 Å²	59	50.1 Å²	50.1	32%	0.316	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.8	166.3	-66.9	-75.4	0	0	0	108.7	K167 N216	K167-D242 VanDerWaalsContact CG-OD1 3.25Å; K167-D242 WeakPolarHBondContact CG-OD1 3.47Å; K167-D242 IonicContact NZ-OD1 3.58Å; K167-D242 PolarHBondContact NZ-OD1 2.81Å; K167-D242 IonicContact NZ-OD2 3Å; K167-D242 PolarHBondContact NZ-OD2 2.85Å; N216-D242 PolarHBondContact N-O 3.38Å; N216-D242 PolarHBondContact OD1-N 3.06Å
243	L	95.4	Very high	85.1	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.6	-176.2	-62.8	175.2	0	0	0	110.3	H165 T166 L168 F177 V215 F232 V241 L245	H165-L243 WeakPolarHBondContact CA-O 3.46Å; T166-L243 HydrophobicContact CG2-CB 3.83Å; T166-L243 HydrophobicContact CG2-CD1 4.31Å; T166-L243 PolarHBondContact N-O 2.79Å; T166-L243 PolarHBondContact O-N 3.41Å; L168-L243 HydrophobicContact CD1-CD1 3.86Å; L168-L243 HydrophobicContact CG-CD1 4.21Å; F177-L243 HydrophobicContact CE1-CD1 4.27Å; F177-L243 HydrophobicContact CZ-CD1 4.36Å; V215-L243 HydrophobicContact CB-CD2 4.09Å; V215-L243 HydrophobicContact CG1-CD2 3.84Å; V215-L243 HydrophobicContact CG2-CD2 3.72Å; F232-L243 HydrophobicContact CE1-CD1 4.29Å; F232-L243 HydrophobicContact CE1-CD2 3.72Å; F232-L243 HydrophobicContact CZ-CD1 4.37Å; F232-L243 HydrophobicContact CZ-CD2 3.63Å; V241-L243 HydrophobicContact CG1-CD1 4.13Å; V241-L243 HydrophobicContact CG1-CD2 4.38Å; V241-L243 HydrophobicContact CG1-CG 4.02Å; V241-L243 HydrophobicContact CG2-CD2 3.84Å; V241-L243 HydrophobicContact CG2-CG 4.22Å; L243-L245 HydrophobicContact CB-CD2 4.42Å
244	E	94.3	Very high	83.4	Confident	40 Å²	40	49.2 Å²	49.2	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.4	166	-173	176.9	-151.6	0	0	109.1	F163 H165 V213 S214	F163-E244 HydrophobicContact CD1-CG 3.91Å; F163-E244 VanDerWaalsContact CD1-OE1 3.28Å; F163-E244 WeakPolarHBondContact CD1-OE1 3.33Å; F163-E244 HydrophobicContact CE1-CG 4.47Å; H165-E244 IonicContact CE1-OE1 3.97Å; H165-E244 PolarHBondContact CE1-OE1 3.06Å; H165-E244 IonicContact NE2-OE1 3.88Å; V213-E244 HydrophobicContact CB-CB 4.35Å; V213-E244 HydrophobicContact CB-CG 4.15Å; V213-E244 WeakPolarHBondContact CB-O 3.35Å; V213-E244 PolarHBondContact N-O 3.07Å; S214-E244 PolarHBondContact N-O 3.42Å; S214-E244 PolarHBondContact O-N 2.83Å; S214-E244 WeakPolarHBondContact OG-CB 3.32Å; S214-E244 PolarHBondContact OG-OE2 3.37Å
245	L	94.3	Very high	81.3	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.9	-175.9	-49.9	171.2	0	0	0	110	F163 I164 T166 M206 D210 V211 I212 L243	F163-L245 CarbonylContact C-O 3.52Å; F163-L245 WeakPolarHBondContact CA-O 3.41Å; I164-L245 HydrophobicContact CB-CB 4.35Å; I164-L245 PolarHBondContact N-O 2.93Å; I164-L245 PolarHBondContact O-N 3.37Å; T166-L245 HydrophobicContact CG2-CD1 4.11Å; M206-L245 HydrophobicContact CB-CD1 4.37Å; M206-L245 HydrophobicContact CE-CD1 3.8Å; M206-L245 HydrophobicContact CG-CD1 3.59Å; M206-L245 HydrophobicContact SD-CD1 4.13Å; D210-L245 HydrophobicContact CB-CB 4.29Å; D210-L245 HydrophobicContact CB-CD1 4.45Å; V211-L245 CarbonylContact O-C 3.56Å; V211-L245 WeakPolarHBondContact O-CA 3.23Å; I212-L245 HydrophobicContact CB-CD2 4.24Å; I212-L245 HydrophobicContact CG1-CD2 4.09Å; I212-L245 HydrophobicContact CG2-CD2 4.17Å; L243-L245 HydrophobicContact CB-CD2 4.42Å
246	C	92.9	Very high	79	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120	175.3	-163	0	0	0	0	111.3	L159 G161 V211 V213	L159-C246 HydrophobicContact CD1-CB 3.86Å; G161-C246 VanDerWaalsContact C-SG 3.58Å; G161-C246 VanDerWaalsContact CA-SG 3.5Å; V211-C246 HydrophobicContact CB-CB 4.4Å; V211-C246 PolarHBondContact N-O 2.75Å; V211-C246 PolarHBondContact O-N 2.79Å; V213-C246 HydrophobicContact CG2-CB 3.64Å
247	R	90.4	Very high	77.1	Confident	58 Å²	58	53.7 Å²	53.7	22%	0.219	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.3	178.7	-172.9	170.2	-60.5	163.4	6	111.5	G161 K162 I164 K205 E207 D210	G161-R247 CarbonylContact C-O 3.49Å; G161-R247 WeakPolarHBondContact CA-O 3.34Å; K162-R247 HydrophobicContact CB-CB 4.48Å; K162-R247 PolarHBondContact N-O 3.09Å; K162-R247 PolarHBondContact O-N 3.11Å; I164-R247 HydrophobicContact CD1-CB 3.98Å; K205-R247 PolarHBondContact O-NH2 2.83Å; E207-R247 IonicContact OE1-CZ 3.28Å; E207-R247 IonicContact OE1-NH1 3.72Å; E207-R247 PolarHBondContact OE1-NH1 3.47Å; E207-R247 IonicContact OE1-NH2 2.8Å; E207-R247 IonicContact OE2-CZ 2.74Å; E207-R247 IonicContact OE2-NE 3.92Å; E207-R247 IonicContact OE2-NH1 3.79Å; E207-R247 PolarHBondContact OE2-NH1 2.93Å; E207-R247 IonicContact OE2-NH2 2.65Å; D210-R247 VanDerWaalsContact OD1-CB 3.23Å; D210-R247 WeakPolarHBondContact OD1-CB 3.38Å; D210-R247 VanDerWaalsContact OD1-CG 3.28Å; D210-R247 WeakPolarHBondContact OD1-CG 3.5Å; D210-R247 IonicContact OD1-CZ 2.68Å; D210-R247 IonicContact OD1-NE 3.71Å; D210-R247 PolarHBondContact OD1-NE 3.48Å; D210-R247 IonicContact OD1-NH2 2.69Å; D210-R247 PolarHBondContact OD1-NH2 2.99Å; D210-R247 IonicContact OD2-CZ 2.71Å; D210-R247 IonicContact OD2-NE 3.35Å; D210-R247 IonicContact OD2-NH2 2.68Å; D210-R247 PolarHBondContact OD2-NH2 3.32Å
248	G	81.1	Confident	75.1	Confident	60 Å²	60	53.4 Å²	53.4	62%	0.619	32%	0.323	S	S	*	.			trans	140.9	-12.7	178.3	0	0	0	0	0	113.6
249	Y	81.5	Confident	72.8	Confident	36 Å²	36	57.8 Å²	57.8	14%	0.141	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-87.4	132.1	175.8	-68.2	-95.1	0	0	0	110.3	L159 K160 F188 Q190 V211	L159-Y249 VanDerWaalsContact CA-OH 3.3Å; L159-Y249 WeakPolarHBondContact CA-OH 3.37Å; L159-Y249 HydrophobicContact CB-CE2 4.33Å; L159-Y249 HydrophobicContact CD2-CE2 4.11Å; L159-Y249 WeakPolarHBondContact CD2-OH 3.42Å; K160-Y249 PolarHBondContact N-OH 2.6Å; F188-Y249 HydrophobicContact CD2-CD1 4Å; F188-Y249 HydrophobicContact CD2-CE1 4.24Å; F188-Y249 AromaticContact CE2-CD1 3.73Å; F188-Y249 HydrophobicContact CE2-CD1 3.73Å; F188-Y249 AromaticContact CE2-CE1 3.52Å; F188-Y249 HydrophobicContact CE2-CE1 3.52Å; F188-Y249 HydrophobicContact CZ-CD1 4.43Å; F188-Y249 AromaticContact CZ-CE1 3.87Å; F188-Y249 HydrophobicContact CZ-CE1 3.87Å; Q190-Y249 PolarHBondContact NE2-O 3.39Å; V211-Y249 HydrophobicContact CG2-CD2 3.72Å; V211-Y249 HydrophobicContact CG2-CG 3.71Å
250	P	71.7	Confident	70.8	Confident	99 Å²	99	57.1 Å²	57.1	64%	0.643	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-68.1	153.5	169.4	31.1	-34.6	0	0	0	109.9	Q190	Q190-P250 PolarHBondContact NE2-O 2.89Å; Q190-P250 PolarHBondContact OE1-O 2.96Å
251	L	73.3	Confident	68.1	Low	59 Å²	59	58.8 Å²	58.8	31%	0.309	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.1	144.2	169	-74.2	163.4	0	0	0	110.3	V180 Q190 T208	V180-L251 HydrophobicContact CG1-CD2 3.63Å; Q190-L251 HydrophobicContact CB-CD2 3.64Å; T208-L251 HydrophobicContact CG2-CD1 3.61Å
252	P	62	Low	65.5	Low	45 Å²	45	64.2 Å²	64.2	29%	0.292	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.3	146.1	167	27.7	-36.1	0	0	0	109.6	V180 D254	V180-P252 HydrophobicContact CG1-CG 4.37Å; V180-P252 HydrophobicContact CG2-CG 4.4Å; P252-D254 PolarHBondContact O-N 3.47Å
253	F	48.9	Very low	62.6	Low	100 Å²	100	66.4 Å²	66.4	44%	0.439	39%	0.387	S	S	.	.			trans	-81.3	83.4	-173.3	-145.8	-80.5	0	0	0	111	P255 T260 V263 T264	F253-P255 VanDerWaalsContact O-CD 3.27Å; F253-P255 WeakPolarHBondContact O-CD 3.41Å; F253-T260 HydrophobicContact CD1-CG2 3.95Å; F253-T260 HydrophobicContact CD2-CG2 3.95Å; F253-T260 HydrophobicContact CE1-CG2 3.86Å; F253-T260 HydrophobicContact CE2-CG2 3.86Å; F253-T260 HydrophobicContact CG-CG2 4Å; F253-T260 HydrophobicContact CZ-CG2 3.81Å; F253-T260 VanDerWaalsContact CZ-O 3.23Å; F253-T260 WeakPolarHBondContact CZ-O 3.4Å; F253-V263 HydrophobicContact CE2-CB 4.4Å; F253-T264 HydrophobicContact CD2-CG2 4.05Å; F253-T264 HydrophobicContact CE2-CG2 3.59Å; F253-T264 VanDerWaalsContact CE2-OG1 3.29Å; F253-T264 WeakPolarHBondContact CE2-OG1 3.24Å; F253-T264 HydrophobicContact CZ-CG2 4.08Å; F253-T264 WeakPolarHBondContact CZ-OG1 3.26Å
254	D	51.1	Low	59.4	Low	38 Å²	38	71.1 Å²	71.1	20%	0.203	42%	0.416	C	S	.	.			trans	-65.2	111.7	172.6	-176.8	-22.1	0	0	0	110	K192 P252 D256 D257 T260	K192-D254 IonicContact NZ-OD2 3.09Å; K192-D254 PolarHBondContact NZ-OD2 3.23Å; P252-D254 PolarHBondContact O-N 3.47Å; D254-D256 PolarHBondContact OD1-N 2.83Å; D254-D257 HydrophobicContact CB-CB 4.24Å; D254-D257 PolarHBondContact OD1-N 2.97Å; D254-T260 WeakPolarHBondContact O-CB 3.35Å; D254-T260 PolarHBondContact O-OG1 3.23Å
255	P	45.7	Very low	56.4	Low	110 Å²	110	73.5 Å²	73.5	71%	0.714	44%	0.437	S	S	*	.	S	Bend	trans	-81.1	-14.6	-176.9	35.3	-35.6	0	0	0	113.3	F253	F253-P255 VanDerWaalsContact O-CD 3.27Å; F253-P255 WeakPolarHBondContact O-CD 3.41Å
256	D	42.4	Very low	53.6	Low	151 Å²	151	79.1 Å²	79.1	81%	0.807	47%	0.471	S	S	*	.	S	Bend	trans	-96	-10.5	-178.8	-73.5	-59.2	0	0	0	112.4	D254 P258	D254-D256 PolarHBondContact OD1-N 2.83Å; D256-P258 WeakPolarHBondContact O-CD 3.13Å
257	D	48.3	Very low	50.5	Low	28 Å²	28	83.1 Å²	83.1	15%	0.15	50%	0.504	C	S	.	.			trans	-84.4	115.2	168.2	-173.7	-12.1	0	0	0	112.2	K192 D254 N259 T260	K192-D257 WeakPolarHBondContact CE-OD2 3.45Å; K192-D257 IonicContact NZ-OD2 2.88Å; K192-D257 PolarHBondContact NZ-OD2 2.94Å; D254-D257 HydrophobicContact CB-CB 4.24Å; D254-D257 PolarHBondContact OD1-N 2.97Å; D257-N259 PolarHBondContact O-N 3.4Å; D257-N259 WeakPolarHBondContact OD1-CB 3.46Å; D257-N259 PolarHBondContact OD1-N 2.89Å; D257-N259 PolarHBondContact OD1-ND2 3.03Å; D257-T260 WeakPolarHBondContact CB-OG1 3.33Å; D257-T260 PolarHBondContact O-N 3.27Å; D257-T260 PolarHBondContact O-OG1 2.8Å
258	P	48.1	Very low	47.9	Very low	115 Å²	115	87.7 Å²	87.7	75%	0.747	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.5	178.9	28.4	-36.8	0	0	0	114.9	D256	D256-P258 WeakPolarHBondContact O-CD 3.13Å
259	N	38.6	Very low	45.4	Very low	122 Å²	122	91.7 Å²	91.7	65%	0.652	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-26.5	175.7	-57.7	-73.2	0	0	0	113.2	D257 S261	D257-N259 PolarHBondContact O-N 3.4Å; D257-N259 WeakPolarHBondContact OD1-CB 3.46Å; D257-N259 PolarHBondContact OD1-N 2.89Å; D257-N259 PolarHBondContact OD1-ND2 3.03Å; N259-S261 PolarHBondContact O-N 3.37Å
260	T	47.8	Very low	42.8	Very low	22 Å²	22	96.5 Å²	96.5	14%	0.135	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-72	-30.6	-170.3	-42.2	0	0	0	0	113.1	F253 D254 D257 L262 V263	F253-T260 HydrophobicContact CD1-CG2 3.95Å; F253-T260 HydrophobicContact CD2-CG2 3.95Å; F253-T260 HydrophobicContact CE1-CG2 3.86Å; F253-T260 HydrophobicContact CE2-CG2 3.86Å; F253-T260 HydrophobicContact CG-CG2 4Å; F253-T260 HydrophobicContact CZ-CG2 3.81Å; F253-T260 VanDerWaalsContact CZ-O 3.23Å; F253-T260 WeakPolarHBondContact CZ-O 3.4Å; D254-T260 WeakPolarHBondContact O-CB 3.35Å; D254-T260 PolarHBondContact O-OG1 3.23Å; D257-T260 WeakPolarHBondContact CB-OG1 3.33Å; D257-T260 PolarHBondContact O-N 3.27Å; D257-T260 PolarHBondContact O-OG1 2.8Å; T260-L262 PolarHBondContact O-N 2.82Å; T260-V263 PolarHBondContact O-N 2.89Å; T260-V263 VanDerWaalsContact O-N 3.09Å
261	S	35	Very low	40.8	Very low	87 Å²	87	101.5 Å²	101.5	61%	0.608	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-58.1	-12.3	-172.8	-176	0	0	0	0	115.9	N259	N259-S261 PolarHBondContact O-N 3.37Å
262	L	39.3	Very low	38.6	Very low	115 Å²	115	107.6 Å²	107.6	60%	0.602	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-87.7	-13	179.4	-76.2	164.8	0	0	0	114	T260 S265	T260-L262 PolarHBondContact O-N 2.82Å; L262-S265 PolarHBondContact O-OG 2.99Å
263	V	31.9	Very low	37.3	Very low	105 Å²	105	110.4 Å²	110.4	64%	0.636	62%	0.623	S	S	*	*	S	Bend	trans	-86.3	-32.9	-169.7	-176.3	0	0	0	0	113.2	F253 T260 S265	F253-V263 HydrophobicContact CE2-CB 4.4Å; T260-V263 PolarHBondContact O-N 2.89Å; T260-V263 VanDerWaalsContact O-N 3.09Å; V263-S265 PolarHBondContact O-N 3Å
264	T	29	Very low	36.4	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	179.6	16.1	0	0	0	0	114.5	F253	F253-T264 HydrophobicContact CD2-CG2 4.05Å; F253-T264 HydrophobicContact CE2-CG2 3.59Å; F253-T264 VanDerWaalsContact CE2-OG1 3.29Å; F253-T264 WeakPolarHBondContact CE2-OG1 3.24Å; F253-T264 HydrophobicContact CZ-CG2 4.08Å; F253-T264 WeakPolarHBondContact CZ-OG1 3.26Å
265	S	32	Very low	35.5	Very low	90 Å²	90	119.1 Å²	119.1	63%	0.629	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	8.9	-171.3	44.3	0	0	0	0	115.5	L262 V263	L262-S265 PolarHBondContact O-OG 2.99Å; V263-S265 PolarHBondContact O-N 3Å
266	V	34.7	Very low	34.6	Very low	119 Å²	119	120.4 Å²	120.4	72%	0.721	68%	0.676	S	S	*	*	S	Bend	trans	-116.3	-9.8	-176	-175.4	0	0	0	0	113.2
267	A	28.6	Very low	33.8	Very low	84 Å²	84	121 Å²	121	69%	0.694	68%	0.679	S	S	*	*	S	Bend	trans	-116.6	56.7	-172.6	0	0	0	0	0	113.7
268	I	35.4	Very low	32.8	Very low	153 Å²	153	122.8 Å²	122.8	79%	0.785	70%	0.704	S	S	*	*	S	Bend	trans	-171	142.5	157.3	-97.9	147.2	0	0	0	107
269	L	29.2	Very low	31.6	Very low	145 Å²	145	124.8 Å²	124.8	76%	0.759	70%	0.704	S	S	*	*			trans	68.4	122.5	-153.3	-71.2	78.2	0	0	0	112
270	D	26.2	Very low	31	Very low	137 Å²	137	122.9 Å²	122.9	73%	0.733	69%	0.691	S	S	*	*	S	Bend	cis	-140	157.9	7	-81.8	-38.1	0	0	0	112.9
271	K	29.1	Very low	30	Very low	203 Å²	203	125.9 Å²	125.9	88%	0.883	71%	0.709	S	S	*	*			trans	92.2	93.3	165.3	-55.4	179.8	-176	176	0	118.7
272	E	27.8	Very low	29.5	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	72%	0.72	S	S	*	*			trans	-71.2	174.5	146.9	-54.8	175.8	137.8	0	0	111.1
273	P	34.3	Very low	28.8	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	72%	0.723	S	S	*	*			cis	-123.1	174.4	-46.1	35.7	-23.4	0	0	0	111.2
274	I	29.3	Very low	28.5	Very low	173 Å²	173	131.6 Å²	131.6	89%	0.887	72%	0.723	S	S	*	*			trans	-118.9	123.5	160.2	-62.7	-179.1	0	0	0	108.2
275	I	32.7	Very low	29	Very low	148 Å²	148	132.7 Å²	132.7	76%	0.759	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-88.8	139.6	-174.4	-61.7	170.9	0	0	0	109.2
276	V	26.7	Very low	28.8	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71	134.7	173	176.9	0	0	0	0	109.5
277	N	26.8	Very low	28.4	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-65.2	138.5	-167.7	-159.9	8.6	0	0	0	112.8
278	G	25.7	Very low	28.4	Very low	65 Å²	65	137.5 Å²	137.5	67%	0.67	75%	0.75	S	S	*	*			trans	-169.9	50.8	-163.8	0	0	0	0	0	116.2
279	Q	24.7	Very low	27.8	Very low	158 Å²	158	135.4 Å²	135.4	74%	0.738	75%	0.749	S	S	*	*			trans	78.9	121.5	146.7	-108.5	177.1	-74.6	0	0	119.7
280	E	25.7	Very low	27.9	Very low	82 Å²	82	133.4 Å²	133.4	38%	0.383	75%	0.747	S	S	.	*			trans	102.1	77.8	136	-28.9	-156.9	133.3	0	0	124.5	V126 P127	V126-E280 HydrophobicContact CG1-CB 3.62Å; V126-E280 HydrophobicContact CG1-CG 3.62Å; V126-E280 WeakPolarHBondContact CG1-OE1 3.46Å; V126-E280 HydrophobicContact CG2-CG 4.29Å; P127-E280 VanDerWaalsContact CB-OE1 3.3Å; P127-E280 WeakPolarHBondContact CB-OE1 3.43Å; P127-E280 WeakPolarHBondContact CB-OE2 3.45Å; P127-E280 VanDerWaalsContact CG-OE2 3.31Å; P127-E280 WeakPolarHBondContact CG-OE2 3.45Å
281	T	25.2	Very low	28	Very low	84 Å²	84	135.8 Å²	135.8	52%	0.515	75%	0.751	S	S	.	*				59.2	154.5	118	-37.1	0	0	0	0	124.2	L125 V126	L125-T281 HydrophobicContact CD2-CG2 4.37Å; V126-T281 VanDerWaalsContact CG1-OG1 3.28Å; V126-T281 WeakPolarHBondContact CG1-OG1 3.37Å
282	Y	25.5	Very low	27.9	Very low	213 Å²	213	132.9 Å²	132.9	84%	0.835	75%	0.751	S	S	*	*			trans	81.9	133.2	174.1	-86.5	-101.7	0	0	0	118.2
283	D	24.2	Very low	27.8	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	75%	0.747	S	S	*	*			cis	-166.4	145.1	-20.9	-171.6	30.3	0	0	0	113.5
284	S	25.4	Very low	27.5	Very low	91 Å²	91	132.4 Å²	132.4	64%	0.636	76%	0.757	S	S	*	*			trans	42.3	174.5	146.9	-73.2	0	0	0	0	123.9
285	P	40.9	Very low	27.4	Very low	126 Å²	126	130.8 Å²	130.8	82%	0.818	76%	0.755	S	S	*	*			cis	-124	178.4	-8.6	14.2	11.4	0	0	0	116
286	A	25.9	Very low	27.1	Very low	91 Å²	91	131.6 Å²	131.6	75%	0.752	76%	0.761	S	S	*	*			trans	-69.3	167.6	-177.6	0	0	0	0	0	117.4
287	S	27.1	Very low	27.1	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	75%	0.754	S	S	*	*				-174.4	160.5	120.8	41.7	0	0	0	0	113.6
288	H	28.2	Very low	27.2	Very low	182 Å²	182	129.8 Å²	129.8	84%	0.843	76%	0.759	S	S	*	*			trans	-95.3	148.9	-178.7	-70.1	-135	0	0	0	112.1
289	S	24.1	Very low	27.4	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	76%	0.764	S	S	*	*				158.6	119.6	106.3	57	0	0	0	0	116.7
290	S	29.6	Very low	27.6	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	76%	0.763	S	S	*	*			trans	23.2	132	140.3	65.7	0	0	0	0	124.8
291	K	28.9	Very low	27.7	Very low	188 Å²	188	135.3 Å²	135.3	82%	0.817	79%	0.787	S	S	*	*				103.8	137.1	116.6	-95.7	176.8	-179.6	173.9	0	122.9
292	T	27.5	Very low	27.8	Very low	142 Å²	142	142.9 Å²	142.9	87%	0.871	81%	0.806	S	S	*	*			trans	82.7	136.7	149.2	53.7	0	0	0	0	121.8
293	G	25.4	Very low	28.7	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	80%	0.798	S	S	*	*			trans	164.6	129.2	167.9	0	0	0	0	0	113
294	K	28.2	Very low	28.9	Very low	203 Å²	203	137.3 Å²	137.3	88%	0.883	81%	0.805	S	S	*	*			trans	-100.2	-179.5	162.5	-67.7	180	179.7	176.2	0	107.4
295	V	27.1	Very low	29.2	Very low	139 Å²	139	138.4 Å²	138.4	84%	0.842	81%	0.813	S	S	*	*			cis	-162.5	-175.3	38.5	-140.8	0	0	0	0	111.1
296	N	26.5	Very low	29.5	Very low	166 Å²	166	139 Å²	139	89%	0.888	82%	0.816	S	S	*	*			trans	-90.1	159.2	-176.5	-59.5	-19.1	0	0	0	114.8
297	G	26.9	Very low	29.7	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	81%	0.813	S	S	*	*				134	155.9	124.8	0	0	0	0	0	120.3
298	M	28.9	Very low	30	Very low	196 Å²	196	140.2 Å²	140.2	97%	0.966	81%	0.813	S	S	*	*			trans	64.9	156.7	159	85.5	-179.8	179.7	0	0	121
299	K	29.6	Very low	30.1	Very low	179 Å²	179	138.5 Å²	138.5	78%	0.778	82%	0.815	S	S	*	*			cis	-168.9	149.5	-36	-179.2	169.2	-179.7	-176.2	0	110.2
300	D	28.4	Very low	30.4	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	82%	0.815	S	S	*	*			trans	1.3	139.1	165.2	-44.8	-39.1	0	0	0	122.4
301	A	27.4	Very low	30.5	Very low	107 Å²	107	137.9 Å²	137.9	88%	0.884	82%	0.816	S	S	*	*				177.4	153.3	116.7	0	0	0	0	0	116.2
302	R	27.9	Very low	30.4	Very low	242 Å²	242	136.1 Å²	136.1	91%	0.913	82%	0.815	S	S	*	*			trans	-126.1	-178.8	163.6	-124	-174.3	179	175.2	-0.1	106
303	P	45.3	Very low	30.3	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	81%	0.809	S	S	*	*			cis	-144.8	-165.6	11.8	40.3	-17	0	0	0	117.1
304	S	27.1	Very low	30.4	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	81%	0.806	S	S	*	*			trans	87.2	158.8	145.6	-63	0	0	0	0	123
305	S	32	Very low	30.4	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	81%	0.809	S	S	*	*			trans	-150.4	160.7	-172.6	-45.1	0	0	0	0	112.5
306	P	47.8	Very low	30.4	Very low	137 Å²	137	132.4 Å²	132.4	89%	0.89	80%	0.803	S	S	*	*			trans	-142	-173.6	146.2	33.7	-14	0	0	0	115
307	A	30.2	Very low	30.5	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	80%	0.803	S	S	*	*			trans	-138.8	-172.4	-169.5	0	0	0	0	0	112.7
308	D	32.1	Very low	31.3	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	81%	0.807	S	S	*	*			cis	-128.8	-114.4	13.1	-65.6	-83.3	0	0	0	114.8
309	V	31.1	Very low	31.1	Very low	146 Å²	146	135.4 Å²	135.4	89%	0.885	80%	0.798	S	S	*	*			cis	-147.2	-120.9	12.4	-159	0	0	0	0	113.5
310	A	29.8	Very low	31.2	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	80%	0.798	S	S	*	*			trans	-145.3	176.4	-172.3	0	0	0	0	0	112.8
311	S	31.7	Very low	31.3	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	80%	0.802	S	S	*	*			cis	-169.1	157.9	24.7	56.1	0	0	0	0	116.2
312	N	27.5	Very low	31.5	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	80%	0.803	S	S	*	*			trans	53.3	121.7	149.2	-80.2	8.6	0	0	0	125.4
313	S	26.3	Very low	32.1	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	79%	0.793	S	S	*	*				164.7	131.3	102	-72.5	0	0	0	0	118.8
314	S	26.1	Very low	31.7	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	80%	0.8	S	S	*	*			trans	66.3	128	141.1	66.8	0	0	0	0	126.8
315	H	29.6	Very low	31.8	Very low	203 Å²	203	130.7 Å²	130.7	94%	0.94	80%	0.801	S	S	*	*			trans	74.9	124.5	148.3	-72.5	-63.2	0	0	0	123.8
316	G	26.8	Very low	31.7	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	80%	0.801	S	S	*	*			trans	134.5	114.7	152.8	0	0	0	0	0	116.8
317	Y	29	Very low	30.9	Very low	227 Å²	227	128.9 Å²	128.9	89%	0.89	79%	0.792	S	S	*	*			trans	-144.3	160.7	169.1	-84.8	-69.2	0	0	0	109
318	P	42.4	Very low	31.1	Very low	119 Å²	119	132.8 Å²	132.8	77%	0.773	80%	0.799	S	S	*	*			cis	-127.2	151.3	7.6	39	-24.4	0	0	0	116.1
319	N	24.1	Very low	31.4	Very low	146 Å²	146	129 Å²	129	78%	0.781	79%	0.79	S	S	*	*			trans	-160.2	170.5	137.5	-138.8	-31	0	0	0	111.2
320	D	33.7	Very low	32.1	Very low	144 Å²	144	128.8 Å²	128.8	77%	0.77	79%	0.789	S	S	*	*			trans	-64.3	128.6	-176.9	-70.8	-51.8	0	0	0	113.7
321	T	30.3	Very low	32.6	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	79%	0.787	S	S	*	*			trans	174.5	109.8	138.1	23.6	0	0	0	0	112.1
322	V	30.6	Very low	34	Very low	152 Å²	152	129.8 Å²	129.8	92%	0.921	77%	0.772	S	S	*	*			trans	-139.8	89.8	152.7	-173.3	0	0	0	0	109.6
323	S	40.4	Very low	36.6	Very low	100 Å²	100	128.3 Å²	128.3	70%	0.699	76%	0.76	S	S	*	*			trans	-77.7	-169.8	163.7	-66.3	0	0	0	0	110.9
324	L	36.4	Very low	39.5	Very low	156 Å²	156	128 Å²	128	82%	0.817	75%	0.75	S	S	*	*			trans	87.3	30.2	150.4	-137.8	76.1	0	0	0	119
325	A	29.8	Very low	42.5	Very low	100 Å²	100	124.4 Å²	124.4	83%	0.826	72%	0.722	S	S	*	*	S	Bend	trans	-106.2	-3.4	169.6	0	0	0	0	0	115.4
326	S	29.7	Very low	45.3	Very low	115 Å²	115	118.4 Å²	118.4	80%	0.804	70%	0.7	S	S	*	*	S	Bend	trans	-146.3	26.1	-173.7	-53.5	0	0	0	0	114.8
327	S	32.4	Very low	48.4	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	67%	0.667	S	S	*	*			trans	-114.9	48.7	-175.7	-54.2	0	0	0	0	112.8
328	I	34.2	Very low	51.4	Low	165 Å²	165	108.9 Å²	108.9	85%	0.846	65%	0.645	S	S	*	*			trans	-125.8	146.4	171.3	-59.8	179.9	0	0	0	108
329	A	38.2	Very low	53.7	Low	77 Å²	77	103.2 Å²	103.2	64%	0.636	61%	0.608	S	S	*	*			trans	67.7	66.2	177.6	0	0	0	0	0	116.9	Q331	A329-Q331 PolarHBondContact O-N 3.17Å
330	T	44.3	Very low	56.8	Low	141 Å²	141	99.2 Å²	99.2	87%	0.865	59%	0.589	S	S	*	*			trans	-72.8	51.5	143.8	41.8	0	0	0	0	111
331	Q	42.1	Very low	59.5	Low	151 Å²	151	93.2 Å²	93.2	71%	0.706	56%	0.556	S	S	*	*	S	Bend	trans	-133.3	145.1	173.6	-67.2	-170.3	15.9	0	0	108.8	A329 E333	A329-Q331 PolarHBondContact O-N 3.17Å; Q331-E333 PolarHBondContact O-N 2.67Å
332	P	61.1	Low	61.9	Low	67 Å²	67	87.3 Å²	87.3	44%	0.435	52%	0.52	S	S	.	.			trans	-67.1	122.5	174.7	26.8	-32.9	0	0	0	111.1	Q413 G415	P332-Q413 HydrophobicContact CB-CG 3.57Å; P332-Q413 VanDerWaalsContact CB-NE2 3.29Å; P332-G415 WeakPolarHBondContact CA-O 3.38Å
333	E	81.2	Confident	64.2	Low	121 Å²	121	84.9 Å²	84.9	57%	0.565	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.7	176.2	-167.6	-174.8	-177.4	0	0	109.7	Q331 I335 Q413 R414	Q331-E333 PolarHBondContact O-N 2.67Å; E333-I335 HydrophobicContact CB-CD1 4.49Å; E333-I335 HydrophobicContact CB-CG1 4.35Å; E333-I335 HydrophobicContact CG-CD1 4.15Å; E333-I335 HydrophobicContact CG-CG1 3.79Å; E333-Q413 CarbonylContact O-C 3.44Å; E333-Q413 WeakPolarHBondContact O-CA 3.17Å; E333-R414 PolarHBondContact N-O 2.69Å; E333-R414 PolarHBondContact O-N 2.91Å
334	L	86.6	Confident	66	Low	101 Å²	101	89.2 Å²	89.2	53%	0.529	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.8	173.4	-75.6	167.9	0	0	0	109.7	V380 L411 Q413	L334-V380 HydrophobicContact CD2-CB 4.46Å; L334-V380 HydrophobicContact CD2-CG2 3.89Å; L334-L411 HydrophobicContact CB-CD1 4.33Å; L334-L411 HydrophobicContact CD2-CD2 4.25Å; L334-L411 HydrophobicContact CD2-CG 4.22Å; L334-Q413 HydrophobicContact CD2-CB 3.96Å; L334-Q413 HydrophobicContact CD2-CG 4.33Å
335	I	89	Confident	68.4	Low	27 Å²	27	82.8 Å²	82.8	14%	0.138	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.8	-170.4	-57.5	177.7	0	0	0	108.7	E333 V337 V412 R414	E333-I335 HydrophobicContact CB-CD1 4.49Å; E333-I335 HydrophobicContact CB-CG1 4.35Å; E333-I335 HydrophobicContact CG-CD1 4.15Å; E333-I335 HydrophobicContact CG-CG1 3.79Å; I335-V337 HydrophobicContact CG2-CG2 4.07Å; I335-V412 HydrophobicContact CB-CG2 4.13Å; I335-V412 PolarHBondContact N-O 2.89Å; I335-V412 PolarHBondContact O-N 2.74Å; I335-R414 HydrophobicContact CD1-CB 3.84Å; I335-R414 HydrophobicContact CD1-CG 4.41Å
336	T	90.1	Very high	71.1	Confident	77 Å²	77	78.8 Å²	78.8	47%	0.472	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129	172.8	-51.8	0	0	0	0	110	T409 L410	T336-T409 HydrophobicContact CG2-CG2 3.45Å; T336-T409 VanDerWaalsContact CG2-CG2 3.45Å; T336-L410 CarbonylContact C-O 3.43Å; T336-L410 WeakPolarHBondContact CA-O 3.35Å
337	V	91.8	Very high	73.8	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.024	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.9	-179	-173.4	0	0	0	0	109.5	I335 I339 R371 L373 L410 V412	I335-V337 HydrophobicContact CG2-CG2 4.07Å; V337-I339 HydrophobicContact CG1-CD1 4.04Å; V337-I339 HydrophobicContact CG1-CG1 3.89Å; V337-R371 WeakPolarHBondContact CG1-O 3.24Å; V337-L373 HydrophobicContact CB-CD1 4.48Å; V337-L373 HydrophobicContact CG1-CB 4.16Å; V337-L373 HydrophobicContact CG1-CD1 4.38Å; V337-L373 HydrophobicContact CG2-CD1 4.34Å; V337-L410 PolarHBondContact N-O 3.14Å; V337-L410 PolarHBondContact O-N 3.18Å; V337-V412 HydrophobicContact CG2-CG2 4Å
338	H	90.8	Very high	76.6	Confident	92 Å²	92	70.5 Å²	70.5	43%	0.426	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.8	179.4	-61	-87.7	0	0	0	110.2	E407 V408 T409	H338-E407 HydrophobicContact CB-CG 4.05Å; H338-V408 WeakPolarHBondContact CA-O 3.37Å; H338-T409 PolarHBondContact CE1-OG1 3.38Å; H338-T409 PolarHBondContact ND1-OG1 2.94Å; H338-T409 VanDerWaalsContact ND1-OG1 3.15Å
339	I	91.7	Very high	79.3	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.5	-173.6	-49.3	-175.9	0	0	0	110.5	V337 F346 F348 R369 C370 L373 V408 L410	V337-I339 HydrophobicContact CG1-CD1 4.04Å; V337-I339 HydrophobicContact CG1-CG1 3.89Å; I339-F346 HydrophobicContact CB-CD1 4.38Å; I339-F346 HydrophobicContact CG2-CB 4.31Å; I339-F346 HydrophobicContact CG2-CD1 3.98Å; I339-F348 HydrophobicContact CD1-CD1 4.03Å; I339-F348 HydrophobicContact CD1-CE1 3.72Å; I339-R369 HydrophobicContact CG2-CG 3.99Å; I339-C370 HydrophobicContact CD1-CB 4.42Å; I339-L373 HydrophobicContact CD1-CB 4.34Å; I339-L373 HydrophobicContact CD1-CD1 4.49Å; I339-L373 HydrophobicContact CD1-CD2 3.91Å; I339-L373 HydrophobicContact CD1-CG 4.49Å; I339-V408 PolarHBondContact N-O 2.68Å; I339-V408 PolarHBondContact O-N 2.89Å; I339-L410 HydrophobicContact CD1-CD1 3.72Å; I339-L410 HydrophobicContact CG1-CD1 4.48Å
340	V	89.4	Confident	81.9	Confident	61 Å²	61	62.8 Å²	62.8	37%	0.37	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.8	179.6	-178	0	0	0	0	111.3	G342 R369 E407	V340-G342 PolarHBondContact O-N 3.36Å; V340-G342 VanDerWaalsContact O-N 3.15Å; V340-R369 WeakPolarHBondContact O-CD 3.3Å; V340-R369 PolarHBondContact O-NH1 2.83Å; V340-R369 VanDerWaalsContact O-NH1 3.16Å; V340-E407 HydrophobicContact CG2-CB 4.07Å; V340-E407 HydrophobicContact CG2-CG 4.27Å
341	K	88.8	Confident	83.9	Confident	19 Å²	19	57.5 Å²	57.5	8%	0.083	32%	0.318	C	S	.	.			trans	-63.4	113	-176.6	-163.8	174.3	-176.5	168.9	0	111.8	F346 L399 V400 C402 G405 S406	K341-F346 HydrophobicContact CB-CD1 3.96Å; K341-F346 HydrophobicContact CB-CE1 3.47Å; K341-F346 VanDerWaalsContact CB-CE1 3.47Å; K341-F346 HydrophobicContact CB-CZ 3.83Å; K341-F346 HydrophobicContact CD-CE1 4.22Å; K341-F346 HydrophobicContact CD-CE2 3.97Å; K341-F346 HydrophobicContact CD-CZ 3.69Å; K341-F346 HydrophobicContact CG-CD1 4.16Å; K341-F346 HydrophobicContact CG-CD2 4.43Å; K341-F346 HydrophobicContact CG-CE1 3.83Å; K341-F346 HydrophobicContact CG-CE2 4.11Å; K341-F346 HydrophobicContact CG-CG 4.44Å; K341-F346 HydrophobicContact CG-CZ 3.79Å; K341-L399 PolarHBondContact NZ-O 3.23Å; K341-V400 VanDerWaalsContact NZ-C 3.26Å; K341-V400 PolarHBondContact NZ-O 2.99Å; K341-C402 HydrophobicContact CD-CB 4.31Å; K341-C402 WeakPolarHBondContact CD-O 3.35Å; K341-C402 WeakPolarHBondContact CE-O 3.41Å; K341-C402 PolarHBondContact NZ-O 2.86Å; K341-G405 PolarHBondContact O-N 3.16Å; K341-S406 PolarHBondContact N-O 3.23Å; K341-S406 VanDerWaalsContact N-O 3.09Å
342	G	81.3	Confident	85.7	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-78.5	178.4	177.5	0	0	0	0	0	113.8	V340 M344 G345	V340-G342 PolarHBondContact O-N 3.36Å; V340-G342 VanDerWaalsContact O-N 3.15Å; G342-M344 PolarHBondContact O-N 3Å; G342-G345 WeakPolarHBondContact CA-O 3.44Å; G342-G345 PolarHBondContact N-O 3.36Å; G342-G345 PolarHBondContact O-N 3.02Å
343	P	78.1	Confident	86.2	Confident	102 Å²	102	52.2 Å²	52.2	66%	0.662	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.2	179.7	24.5	-33.7	0	0	0	112.8	K404	P343-K404 PolarHBondContact O-NZ 2.74Å
344	M	80.1	Confident	85	Confident	191 Å²	191	51.7 Å²	51.7	94%	0.941	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	18	177.7	-59.7	177.3	71.8	0	0	113.2	G342	G342-M344 PolarHBondContact O-N 3Å
345	G	85.4	Confident	83.6	Confident	20 Å²	20	50 Å²	50	21%	0.206	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	93.4	-156.2	-175.6	0	0	0	0	0	113.2	G342	G342-G345 WeakPolarHBondContact CA-O 3.44Å; G342-G345 PolarHBondContact N-O 3.36Å; G342-G345 PolarHBondContact O-N 3.02Å
346	F	87.9	Confident	82	Confident	16 Å²	16	52.3 Å²	52.3	7%	0.07	34%	0.337	C	S	.	.	S	Bend	trans	-84	-12.5	-173.3	-64.8	-76	0	0	0	115.4	I339 K341 F348 R369 C370 L399 C402 V408	I339-F346 HydrophobicContact CB-CD1 4.38Å; I339-F346 HydrophobicContact CG2-CB 4.31Å; I339-F346 HydrophobicContact CG2-CD1 3.98Å; K341-F346 HydrophobicContact CB-CD1 3.96Å; K341-F346 HydrophobicContact CB-CE1 3.47Å; K341-F346 VanDerWaalsContact CB-CE1 3.47Å; K341-F346 HydrophobicContact CB-CZ 3.83Å; K341-F346 HydrophobicContact CD-CE1 4.22Å; K341-F346 HydrophobicContact CD-CE2 3.97Å; K341-F346 HydrophobicContact CD-CZ 3.69Å; K341-F346 HydrophobicContact CG-CD1 4.16Å; K341-F346 HydrophobicContact CG-CD2 4.43Å; K341-F346 HydrophobicContact CG-CE1 3.83Å; K341-F346 HydrophobicContact CG-CE2 4.11Å; K341-F346 HydrophobicContact CG-CG 4.44Å; K341-F346 HydrophobicContact CG-CZ 3.79Å; F346-F348 HydrophobicContact CB-CD1 3.64Å; F346-F348 HydrophobicContact CB-CE1 3.39Å; F346-F348 HydrophobicContact CB-CZ 4.3Å; F346-F348 HydrophobicContact CG-CE1 4Å; F346-R369 VanDerWaalsContact O-CD 3.23Å; F346-R369 WeakPolarHBondContact O-CD 3.33Å; F346-C370 PolarHBondContact O-SG 3.29Å; F346-L399 HydrophobicContact CD2-CB 4.36Å; F346-L399 HydrophobicContact CD2-CD2 4.19Å; F346-L399 HydrophobicContact CE2-CB 3.87Å; F346-L399 HydrophobicContact CE2-CD2 3.75Å; F346-L399 HydrophobicContact CE2-CG 4.41Å; F346-L399 VanDerWaalsContact CE2-O 3.28Å; F346-L399 WeakPolarHBondContact CE2-O 3.37Å; F346-L399 HydrophobicContact CZ-CD2 4.28Å; F346-C402 HydrophobicContact CZ-CB 3.92Å; F346-V408 HydrophobicContact CE1-CB 3.76Å; F346-V408 HydrophobicContact CE1-CG1 4.43Å; F346-V408 HydrophobicContact CE1-CG2 3.59Å; F346-V408 HydrophobicContact CZ-CB 4.09Å; F346-V408 HydrophobicContact CZ-CG1 4.45Å; F346-V408 HydrophobicContact CZ-CG2 3.58Å
347	G	85.8	Confident	80.8	Confident	17 Å²	17	49.4 Å²	49.4	18%	0.175	32%	0.322	C	S	.	.	S	Bend	trans	74.8	24.1	-179.3	0	0	0	0	0	114.9	V365 D366 C370	G347-V365 CarbonylContact O-C 3.59Å; G347-V365 WeakPolarHBondContact O-CA 3.34Å; G347-V365 PolarHBondContact O-N 2.75Å; G347-D366 PolarHBondContact O-N 3.09Å; G347-C370 PolarHBondContact O-SG 3.41Å; G347-C370 VanDerWaalsContact O-SG 3.38Å
348	F	91.9	Very high	79.8	Confident	25 Å²	25	49.4 Å²	49.4	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.7	162.9	66.7	-89.1	0	0	0	109.7	I339 F346 I350 V361 Q363 I364 L373 I379 L399 L410	I339-F348 HydrophobicContact CD1-CD1 4.03Å; I339-F348 HydrophobicContact CD1-CE1 3.72Å; F346-F348 HydrophobicContact CB-CD1 3.64Å; F346-F348 HydrophobicContact CB-CE1 3.39Å; F346-F348 HydrophobicContact CB-CZ 4.3Å; F346-F348 HydrophobicContact CG-CE1 4Å; F348-I350 HydrophobicContact CD2-CG2 3.88Å; F348-I350 HydrophobicContact CE2-CG2 3.62Å; F348-V361 HydrophobicContact CB-CG1 4.38Å; F348-V361 HydrophobicContact CD2-CG1 4.37Å; F348-V361 HydrophobicContact CD2-CG2 4.45Å; F348-Q363 CarbonylContact C-O 3.54Å; F348-Q363 WeakPolarHBondContact CA-O 3.49Å; F348-I364 HydrophobicContact CB-CG1 4.29Å; F348-L373 HydrophobicContact CB-CD2 3.93Å; F348-L373 HydrophobicContact CD1-CD2 3.68Å; F348-L373 HydrophobicContact CD2-CD2 3.93Å; F348-L373 HydrophobicContact CE1-CD2 4.13Å; F348-L373 HydrophobicContact CE2-CD2 4.36Å; F348-L373 HydrophobicContact CG-CD2 3.58Å; F348-L373 HydrophobicContact CZ-CD2 4.46Å; F348-I379 HydrophobicContact CE2-CD1 4.04Å; F348-L399 HydrophobicContact CZ-CD1 4.46Å; F348-L410 HydrophobicContact CE1-CD1 4.02Å; F348-L410 HydrophobicContact CZ-CD1 3.7Å
349	T	90.4	Very high	79.7	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.3	173.5	62.6	0	0	0	0	110.1	K362 Q363 V365	T349-K362 PolarHBondContact O-N 2.74Å; T349-Q363 PolarHBondContact N-O 2.94Å; T349-Q363 WeakPolarHBondContact OG1-CB 3.41Å; T349-Q363 PolarHBondContact OG1-N 3.34Å; T349-Q363 VanDerWaalsContact OG1-N 3.17Å; T349-Q363 PolarHBondContact OG1-O 2.61Å; T349-V365 HydrophobicContact CG2-CG2 4.41Å
350	I	92.2	Very high	79.6	Confident	24 Å²	24	48.8 Å²	48.8	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	163.1	178.4	56.9	169.4	0	0	0	111.1	F348 Q359 R360 I379 V395 V396 L399	F348-I350 HydrophobicContact CD2-CG2 3.88Å; F348-I350 HydrophobicContact CE2-CG2 3.62Å; I350-Q359 HydrophobicContact CB-CB 4.44Å; I350-Q359 HydrophobicContact CD1-CB 4.17Å; I350-Q359 HydrophobicContact CD1-CG 4.15Å; I350-R360 CarbonylContact C-O 3.55Å; I350-R360 WeakPolarHBondContact CA-O 3.05Å; I350-I379 HydrophobicContact CG2-CD1 3.69Å; I350-V395 HydrophobicContact CD1-CB 4.45Å; I350-V395 HydrophobicContact CD1-CG1 4.11Å; I350-V396 HydrophobicContact CD1-CG2 3.94Å; I350-V396 HydrophobicContact CG1-CG2 4.36Å; I350-L399 HydrophobicContact CD1-CD1 4.26Å
351	A	85.8	Confident	79.7	Confident	30 Å²	30	46 Å²	46	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.7	170.4	0	0	0	0	0	109.8	Q359 R360 K362	A351-Q359 VanDerWaalsContact C-OE1 3.27Å; A351-Q359 PolarHBondContact O-OE1 3.5Å; A351-R360 PolarHBondContact N-O 2.99Å; A351-R360 PolarHBondContact O-N 3.07Å; A351-K362 HydrophobicContact CB-CB 4.1Å; A351-K362 HydrophobicContact CB-CD 3.9Å
352	D	79.9	Confident	79.7	Confident	93 Å²	93	52 Å²	52	50%	0.497	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	147.2	179.1	-65.5	-74	0	0	0	112.9	P354 Q359 H392	D352-P354 VanDerWaalsContact O-CD 3.29Å; D352-P354 WeakPolarHBondContact O-CD 3.44Å; D352-Q359 PolarHBondContact OD1-NE2 3.19Å; D352-H392 IonicContact OD2-CG 2.84Å; D352-H392 IonicContact OD2-ND1 3.83Å
353	S	72.3	Confident	80.1	Confident	14 Å²	14	57 Å²	57	10%	0.098	35%	0.348	C	S	.	.			trans	-83.7	120.8	175.2	63.1	0	0	0	0	110.8	G355 G356 G357 G358 R360	S353-G355 PolarHBondContact O-N 3.19Å; S353-G356 PolarHBondContact O-N 3.14Å; S353-G357 PolarHBondContact OG-N 3.27Å; S353-G358 WeakPolarHBondContact CB-O 3.38Å; S353-G358 PolarHBondContact N-O 3.37Å; S353-G358 VanDerWaalsContact N-O 3.08Å; S353-G358 PolarHBondContact OG-N 2.83Å; S353-G358 PolarHBondContact OG-O 2.75Å; S353-R360 VanDerWaalsContact CB-CZ 3.46Å
354	P	55.1	Low	80.6	Confident	110 Å²	110	53.5 Å²	53.5	71%	0.714	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	46.4	172.1	28	-37.2	0	0	0	113.1	D352	D352-P354 VanDerWaalsContact O-CD 3.29Å; D352-P354 WeakPolarHBondContact O-CD 3.44Å
355	G	57.4	Low	81	Confident	66 Å²	66	49.4 Å²	49.4	68%	0.68	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.1	19.8	176.4	0	0	0	0	0	112.5	S353 G357	S353-G355 PolarHBondContact O-N 3.19Å; G355-G357 VanDerWaalsContact C-N 3.31Å; G355-G357 PolarHBondContact O-N 2.87Å
356	G	57	Low	81	Confident	75 Å²	75	50.6 Å²	50.6	77%	0.773	31%	0.311	S	S	*	.	S	Bend	trans	64.6	22.9	170.5	0	0	0	0	0	116.4	S353	S353-G356 PolarHBondContact O-N 3.14Å
357	G	62.9	Low	80.7	Confident	16 Å²	16	53.8 Å²	53.8	17%	0.165	34%	0.335	C	S	.	.	S	Bend	trans	-112	14.1	-167.8	0	0	0	0	0	116.1	S353 G355 Q388	S353-G357 PolarHBondContact OG-N 3.27Å; G355-G357 VanDerWaalsContact C-N 3.31Å; G355-G357 PolarHBondContact O-N 2.87Å; G357-Q388 VanDerWaalsContact O-CG 3.32Å; G357-Q388 WeakPolarHBondContact O-CG 3.48Å; G357-Q388 PolarHBondContact O-NE2 2.91Å
358	G	71.8	Confident	80.6	Confident	5 Å²	5	57.7 Å²	57.7	5%	0.052	36%	0.357	C	S	.	.	S	Bend	trans	109.7	-151.4	-174	0	0	0	0	0	114.5	S353 Q388	S353-G358 WeakPolarHBondContact CB-O 3.38Å; S353-G358 PolarHBondContact N-O 3.37Å; S353-G358 VanDerWaalsContact N-O 3.08Å; S353-G358 PolarHBondContact OG-N 2.83Å; S353-G358 PolarHBondContact OG-O 2.75Å; G358-Q388 PolarHBondContact N-O 2.88Å
359	Q	87.6	Confident	80.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	-173.6	-62.9	-58.7	-45.2	0	0	111.5	I350 A351 D352 I379 H392 V395	I350-Q359 HydrophobicContact CB-CB 4.44Å; I350-Q359 HydrophobicContact CD1-CB 4.17Å; I350-Q359 HydrophobicContact CD1-CG 4.15Å; A351-Q359 VanDerWaalsContact C-OE1 3.27Å; A351-Q359 PolarHBondContact O-OE1 3.5Å; D352-Q359 PolarHBondContact OD1-NE2 3.19Å; Q359-I379 WeakPolarHBondContact O-CB 3.33Å; Q359-I379 PolarHBondContact O-N 3.14Å; Q359-H392 PolarHBondContact OE1-ND1 2.59Å; Q359-V395 HydrophobicContact CB-CG1 4.45Å; Q359-V395 HydrophobicContact CG-CB 3.83Å; Q359-V395 HydrophobicContact CG-CG1 3.93Å; Q359-V395 HydrophobicContact CG-CG2 3.78Å
360	R	90.2	Very high	79.9	Confident	77 Å²	77	57.8 Å²	57.8	29%	0.291	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.5	173	-76.2	-168.7	-113.5	-90	7.6	112	I350 A351 S353 K362 D377 L378	I350-R360 CarbonylContact C-O 3.55Å; I350-R360 WeakPolarHBondContact CA-O 3.05Å; A351-R360 PolarHBondContact N-O 2.99Å; A351-R360 PolarHBondContact O-N 3.07Å; S353-R360 VanDerWaalsContact CB-CZ 3.46Å; R360-K362 PolarHBondContact O-N 3.13Å; R360-D377 CarbonylContact C-O 3.57Å; R360-D377 VanDerWaalsContact CA-O 3.25Å; R360-D377 WeakPolarHBondContact CA-O 3.41Å; R360-L378 HydrophobicContact CG-CB 4.14Å; R360-L378 HydrophobicContact CG-CD1 3.7Å
361	V	91.3	Very high	79.3	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.012	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	112.8	170.9	-179.7	0	0	0	0	108.8	F348 I364 L373 K374 G376 D377 I379	F348-V361 HydrophobicContact CB-CG1 4.38Å; F348-V361 HydrophobicContact CD2-CG1 4.37Å; F348-V361 HydrophobicContact CD2-CG2 4.45Å; V361-I364 HydrophobicContact CG1-CG1 4.08Å; V361-L373 HydrophobicContact CG1-CD2 3.91Å; V361-L373 HydrophobicContact CG1-CG 4.27Å; V361-L373 HydrophobicContact CG2-CD1 3.93Å; V361-L373 HydrophobicContact CG2-CD2 3.85Å; V361-L373 HydrophobicContact CG2-CG 3.92Å; V361-K374 WeakPolarHBondContact CB-O 3.35Å; V361-G376 PolarHBondContact O-N 3.31Å; V361-D377 HydrophobicContact CB-CB 4.32Å; V361-D377 HydrophobicContact CG2-CB 3.98Å; V361-D377 PolarHBondContact N-O 3.19Å; V361-I379 HydrophobicContact CG2-CD1 4.21Å; V361-I379 HydrophobicContact CG2-CG1 4.12Å
362	K	89.4	Confident	79.1	Confident	147 Å²	147	66.9 Å²	66.9	64%	0.639	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	-40.8	-175.1	175.4	170.2	175.7	174.5	0	112.9	T349 A351 R360	T349-K362 PolarHBondContact O-N 2.74Å; A351-K362 HydrophobicContact CB-CB 4.1Å; A351-K362 HydrophobicContact CB-CD 3.9Å; R360-K362 PolarHBondContact O-N 3.13Å
363	Q	88.7	Confident	79.6	Confident	109 Å²	109	62.9 Å²	62.9	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.6	-179.9	-166	-176.6	4.2	0	0	110.9	F348 T349 E375	F348-Q363 CarbonylContact C-O 3.54Å; F348-Q363 WeakPolarHBondContact CA-O 3.49Å; T349-Q363 PolarHBondContact N-O 2.94Å; T349-Q363 WeakPolarHBondContact OG1-CB 3.41Å; T349-Q363 PolarHBondContact OG1-N 3.34Å; T349-Q363 VanDerWaalsContact OG1-N 3.17Å; T349-Q363 PolarHBondContact OG1-O 2.61Å; Q363-E375 VanDerWaalsContact CA-OE1 3.26Å; Q363-E375 WeakPolarHBondContact CA-OE1 3.22Å; Q363-E375 WeakPolarHBondContact CG-OE1 3.3Å
364	I	89.8	Confident	80.3	Confident	30 Å²	30	68 Å²	68	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.1	170.7	-63.1	177.2	0	0	0	109.8	F348 V361 C370 L373 E375	F348-I364 HydrophobicContact CB-CG1 4.29Å; V361-I364 HydrophobicContact CG1-CG1 4.08Å; I364-C370 HydrophobicContact CD1-CB 4.43Å; I364-C370 HydrophobicContact CG2-CB 3.8Å; I364-L373 HydrophobicContact CD1-CB 4.05Å; I364-L373 HydrophobicContact CD1-CD2 4.42Å; I364-L373 HydrophobicContact CD1-CG 4.35Å; I364-L373 WeakPolarHBondContact CD1-O 3.28Å; I364-E375 HydrophobicContact CB-CG 4.49Å; I364-E375 HydrophobicContact CD1-CG 4.46Å; I364-E375 HydrophobicContact CG1-CG 4.09Å; I364-E375 PolarHBondContact N-OE1 3.46Å
365	V	88.1	Confident	81.9	Confident	104 Å²	104	68.3 Å²	68.3	63%	0.63	38%	0.382	S	S	*	.	S	Bend	trans	-105.6	-35.4	-174.8	-172.8	0	0	0	0	111.7	G347 T349	G347-V365 CarbonylContact O-C 3.59Å; G347-V365 WeakPolarHBondContact O-CA 3.34Å; G347-V365 PolarHBondContact O-N 2.75Å; T349-V365 HydrophobicContact CG2-CG2 4.41Å
366	D	85.9	Confident	83.2	Confident	46 Å²	46	67.5 Å²	67.5	25%	0.246	38%	0.375	C	S	.	.			trans	-120.6	75.8	174.1	-172.4	-12	0	0	0	109	G347 P368 R369 C370	G347-D366 PolarHBondContact O-N 3.09Å; D366-P368 VanDerWaalsContact C-CD 3.49Å; D366-P368 VanDerWaalsContact C-N 3.35Å; D366-P368 WeakPolarHBondContact OD1-CD 3.29Å; D366-R369 HydrophobicContact CB-CB 4Å; D366-R369 WeakPolarHBondContact O-CB 3.5Å; D366-R369 PolarHBondContact O-N 2.95Å; D366-R369 WeakPolarHBondContact OD1-CB 3.47Å; D366-R369 PolarHBondContact OD1-N 2.87Å; D366-R369 WeakPolarHBondContact OD2-CB 3.44Å; D366-R369 IonicContact OD2-CZ 3.35Å; D366-R369 VanDerWaalsContact OD2-CZ 3.28Å; D366-R369 IonicContact OD2-NE 3.19Å; D366-R369 PolarHBondContact OD2-NE 3.07Å; D366-R369 IonicContact OD2-NH2 2.7Å; D366-R369 PolarHBondContact OD2-NH2 3.25Å; D366-C370 PolarHBondContact O-N 2.89Å; D366-C370 PolarHBondContact O-SG 3.25Å; D366-C370 VanDerWaalsContact O-SG 3.38Å
367	S	81.5	Confident	84.9	Confident	83 Å²	83	64.1 Å²	64.1	58%	0.58	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.7	178.6	177.2	0	0	0	0	114	R369 C370	S367-R369 PolarHBondContact O-N 2.9Å; S367-C370 PolarHBondContact O-N 2.65Å
368	P	83.2	Confident	86.2	Confident	98 Å²	98	64 Å²	64	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.6	171.8	-28.5	36.9	0	0	0	115.1	D366	D366-P368 VanDerWaalsContact C-CD 3.49Å; D366-P368 VanDerWaalsContact C-N 3.35Å; D366-P368 WeakPolarHBondContact OD1-CD 3.29Å
369	R	82.4	Confident	87.1	Confident	81 Å²	81	63.8 Å²	63.8	31%	0.306	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-40.1	175.6	-177.7	-176.5	-53.7	-65.2	-22.2	112.9	I339 V340 F346 D366 S367 R371	I339-R369 HydrophobicContact CG2-CG 3.99Å; V340-R369 WeakPolarHBondContact O-CD 3.3Å; V340-R369 PolarHBondContact O-NH1 2.83Å; V340-R369 VanDerWaalsContact O-NH1 3.16Å; F346-R369 VanDerWaalsContact O-CD 3.23Å; F346-R369 WeakPolarHBondContact O-CD 3.33Å; D366-R369 HydrophobicContact CB-CB 4Å; D366-R369 WeakPolarHBondContact O-CB 3.5Å; D366-R369 PolarHBondContact O-N 2.95Å; D366-R369 WeakPolarHBondContact OD1-CB 3.47Å; D366-R369 PolarHBondContact OD1-N 2.87Å; D366-R369 WeakPolarHBondContact OD2-CB 3.44Å; D366-R369 IonicContact OD2-CZ 3.35Å; D366-R369 VanDerWaalsContact OD2-CZ 3.28Å; D366-R369 IonicContact OD2-NE 3.19Å; D366-R369 PolarHBondContact OD2-NE 3.07Å; D366-R369 IonicContact OD2-NH2 2.7Å; D366-R369 PolarHBondContact OD2-NH2 3.25Å; S367-R369 PolarHBondContact O-N 2.9Å; R369-R371 PolarHBondContact O-N 3.48Å; R369-R371 VanDerWaalsContact O-N 3.09Å
370	C	85.1	Confident	87.2	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.014	33%	0.334	C	S	.	.	S	Bend	trans	-84.4	37.8	-175.5	-59.8	0	0	0	0	113.5	I339 F346 G347 I364 D366 S367 G372 L373	I339-C370 HydrophobicContact CD1-CB 4.42Å; F346-C370 PolarHBondContact O-SG 3.29Å; G347-C370 PolarHBondContact O-SG 3.41Å; G347-C370 VanDerWaalsContact O-SG 3.38Å; I364-C370 HydrophobicContact CD1-CB 4.43Å; I364-C370 HydrophobicContact CG2-CB 3.8Å; D366-C370 PolarHBondContact O-N 2.89Å; D366-C370 PolarHBondContact O-SG 3.25Å; D366-C370 VanDerWaalsContact O-SG 3.38Å; S367-C370 PolarHBondContact O-N 2.65Å; C370-G372 PolarHBondContact O-N 2.73Å; C370-L373 HydrophobicContact CB-CB 4.19Å; C370-L373 HydrophobicContact CB-CD2 4.41Å; C370-L373 WeakPolarHBondContact O-CB 3.48Å; C370-L373 PolarHBondContact O-N 2.85Å; C370-L373 VanDerWaalsContact O-N 3.1Å
371	R	81.1	Confident	87.3	Confident	199 Å²	199	63.3 Å²	63.3	75%	0.751	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	120.7	-175.1	-73.9	-176.1	176.8	-132.1	-0.8	111.6	V337 R369	V337-R371 WeakPolarHBondContact CG1-O 3.24Å; R369-R371 PolarHBondContact O-N 3.48Å; R369-R371 VanDerWaalsContact O-N 3.09Å
372	G	80.4	Confident	87.3	Confident	45 Å²	45	63.2 Å²	63.2	46%	0.464	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-23.1	-179.7	0	0	0	0	0	113.8	C370 R414	C370-G372 PolarHBondContact O-N 2.73Å; G372-R414 PolarHBondContact O-NH2 3.46Å
373	L	90.4	Very high	87.3	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.052	32%	0.319	C	S	.	.			trans	-74.4	149.3	170.1	-152.9	70.3	0	0	0	110.3	V337 I339 F348 V361 I364 C370 L410 V412	V337-L373 HydrophobicContact CB-CD1 4.48Å; V337-L373 HydrophobicContact CG1-CB 4.16Å; V337-L373 HydrophobicContact CG1-CD1 4.38Å; V337-L373 HydrophobicContact CG2-CD1 4.34Å; I339-L373 HydrophobicContact CD1-CB 4.34Å; I339-L373 HydrophobicContact CD1-CD1 4.49Å; I339-L373 HydrophobicContact CD1-CD2 3.91Å; I339-L373 HydrophobicContact CD1-CG 4.49Å; F348-L373 HydrophobicContact CB-CD2 3.93Å; F348-L373 HydrophobicContact CD1-CD2 3.68Å; F348-L373 HydrophobicContact CD2-CD2 3.93Å; F348-L373 HydrophobicContact CE1-CD2 4.13Å; F348-L373 HydrophobicContact CE2-CD2 4.36Å; F348-L373 HydrophobicContact CG-CD2 3.58Å; F348-L373 HydrophobicContact CZ-CD2 4.46Å; V361-L373 HydrophobicContact CG1-CD2 3.91Å; V361-L373 HydrophobicContact CG1-CG 4.27Å; V361-L373 HydrophobicContact CG2-CD1 3.93Å; V361-L373 HydrophobicContact CG2-CD2 3.85Å; V361-L373 HydrophobicContact CG2-CG 3.92Å; I364-L373 HydrophobicContact CD1-CB 4.05Å; I364-L373 HydrophobicContact CD1-CD2 4.42Å; I364-L373 HydrophobicContact CD1-CG 4.35Å; I364-L373 WeakPolarHBondContact CD1-O 3.28Å; C370-L373 HydrophobicContact CB-CB 4.19Å; C370-L373 HydrophobicContact CB-CD2 4.41Å; C370-L373 WeakPolarHBondContact O-CB 3.48Å; C370-L373 PolarHBondContact O-N 2.85Å; C370-L373 VanDerWaalsContact O-N 3.1Å; L373-L410 HydrophobicContact CD1-CD1 4.09Å; L373-V412 HydrophobicContact CD1-CG1 3.89Å
374	K	87.9	Confident	87.1	Confident	122 Å²	122	62.6 Å²	62.6	53%	0.53	33%	0.332	S	S	.	.			trans	-136.2	157.5	171.9	-66.8	-176.5	-171.7	177.8	0	110.4	V361 D377	V361-K374 WeakPolarHBondContact CB-O 3.35Å; K374-D377 PolarHBondContact N-OD2 3.21Å; K374-D377 VanDerWaalsContact O-CB 3.32Å; K374-D377 WeakPolarHBondContact O-CB 3.48Å; K374-D377 VanDerWaalsContact O-CG 3.23Å; K374-D377 PolarHBondContact O-N 3.12Å
375	E	88.9	Confident	86.8	Confident	115 Å²	115	67.2 Å²	67.2	54%	0.537	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	137.7	170.4	-58.7	-178.8	167.1	0	0	109.5	Q363 I364	Q363-E375 VanDerWaalsContact CA-OE1 3.26Å; Q363-E375 WeakPolarHBondContact CA-OE1 3.22Å; Q363-E375 WeakPolarHBondContact CG-OE1 3.3Å; I364-E375 HydrophobicContact CB-CG 4.49Å; I364-E375 HydrophobicContact CD1-CG 4.46Å; I364-E375 HydrophobicContact CG1-CG 4.09Å; I364-E375 PolarHBondContact N-OE1 3.46Å
376	G	84.4	Confident	86.8	Confident	50 Å²	50	65.9 Å²	65.9	52%	0.515	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-14.8	-172.7	0	0	0	0	0	115.7	V361 L378	V361-G376 PolarHBondContact O-N 3.31Å; G376-L378 PolarHBondContact O-N 2.95Å
377	D	91.1	Very high	86.9	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.328	C	S	.	.			trans	-56.4	132.7	175.3	-77.3	-11.4	0	0	0	111.4	R360 V361 K374 V412 R414	R360-D377 CarbonylContact C-O 3.57Å; R360-D377 VanDerWaalsContact CA-O 3.25Å; R360-D377 WeakPolarHBondContact CA-O 3.41Å; V361-D377 HydrophobicContact CB-CB 4.32Å; V361-D377 HydrophobicContact CG2-CB 3.98Å; V361-D377 PolarHBondContact N-O 3.19Å; K374-D377 PolarHBondContact N-OD2 3.21Å; K374-D377 VanDerWaalsContact O-CB 3.32Å; K374-D377 WeakPolarHBondContact O-CB 3.48Å; K374-D377 VanDerWaalsContact O-CG 3.23Å; K374-D377 PolarHBondContact O-N 3.12Å; D377-V412 HydrophobicContact CB-CB 4.07Å; D377-V412 HydrophobicContact CB-CG2 4.06Å; D377-R414 VanDerWaalsContact CG-NH2 3.29Å; D377-R414 IonicContact OD1-CZ 3.54Å; D377-R414 IonicContact OD1-NE 3.85Å; D377-R414 PolarHBondContact OD1-NE 3.06Å; D377-R414 IonicContact OD1-NH2 3.69Å; D377-R414 PolarHBondContact OD1-NH2 3.49Å; D377-R414 VanDerWaalsContact OD1-NH2 3.09Å; D377-R414 IonicContact OD2-CZ 3.27Å; D377-R414 IonicContact OD2-NE 2.71Å; D377-R414 IonicContact OD2-NH2 3.79Å; D377-R414 PolarHBondContact OD2-NH2 2.76Å
378	L	90.8	Very high	87.1	Confident	13 Å²	13	62.8 Å²	62.8	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.7	176	178.1	70.4	0	0	0	110.3	R360 G376 V380 V412 Q413	R360-L378 HydrophobicContact CG-CB 4.14Å; R360-L378 HydrophobicContact CG-CD1 3.7Å; G376-L378 PolarHBondContact O-N 2.95Å; L378-V380 PolarHBondContact O-N 2.87Å; L378-V412 CarbonylContact O-C 3.59Å; L378-V412 WeakPolarHBondContact O-CA 3.48Å; L378-Q413 HydrophobicContact CB-CB 4.25Å; L378-Q413 PolarHBondContact N-O 3.42Å; L378-Q413 PolarHBondContact O-N 2.78Å
379	I	91.6	Very high	86.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	116.8	177.1	-49.8	178.4	0	0	0	109.2	F348 I350 Q359 V361 V382 V387 L410 V412	F348-I379 HydrophobicContact CE2-CD1 4.04Å; I350-I379 HydrophobicContact CG2-CD1 3.69Å; Q359-I379 WeakPolarHBondContact O-CB 3.33Å; Q359-I379 PolarHBondContact O-N 3.14Å; V361-I379 HydrophobicContact CG2-CD1 4.21Å; V361-I379 HydrophobicContact CG2-CG1 4.12Å; I379-V382 HydrophobicContact CG2-CG2 3.91Å; I379-V387 HydrophobicContact CB-CG2 4.23Å; I379-V387 HydrophobicContact CG2-CG2 3.78Å; I379-V387 VanDerWaalsContact O-CG2 3.3Å; I379-V387 WeakPolarHBondContact O-CG2 3.46Å; I379-L410 HydrophobicContact CG2-CD2 4.46Å; I379-V412 HydrophobicContact CG1-CG1 4.15Å
380	V	90.1	Very high	86.9	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.067	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-40.8	178.7	178.7	0	0	0	0	110.5	L334 L378 N386 V387 Q388 L411 Q413	L334-V380 HydrophobicContact CD2-CB 4.46Å; L334-V380 HydrophobicContact CD2-CG2 3.89Å; L378-V380 PolarHBondContact O-N 2.87Å; V380-N386 WeakPolarHBondContact O-CA 3.25Å; V380-V387 PolarHBondContact O-N 2.91Å; V380-Q388 HydrophobicContact CB-CG 4.45Å; V380-Q388 HydrophobicContact CG1-CG 4.17Å; V380-L411 HydrophobicContact CB-CD2 4.47Å; V380-L411 HydrophobicContact CB-CG 4.48Å; V380-L411 HydrophobicContact CG1-CD2 4.25Å; V380-L411 PolarHBondContact N-O 3.42Å; V380-Q413 HydrophobicContact CG2-CB 3.77Å
381	E	90.9	Very high	86.9	Confident	58 Å²	58	65.2 Å²	65.2	27%	0.271	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.4	177.5	-50.7	-169.5	157.5	0	0	113.2	K384 K385 L410 L411	E381-K384 WeakPolarHBondContact OE2-CA 3.37Å; E381-K385 CarbonylContact C-O 3.59Å; E381-K385 WeakPolarHBondContact CA-O 3.36Å; E381-K385 WeakPolarHBondContact CB-O 3.38Å; E381-L410 WeakPolarHBondContact O-CA 3.37Å; E381-L411 HydrophobicContact CB-CB 3.77Å; E381-L411 HydrophobicContact CG-CB 3.96Å; E381-L411 HydrophobicContact CG-CD2 3.98Å; E381-L411 PolarHBondContact N-O 2.78Å; E381-L411 VanDerWaalsContact N-O 3.15Å; E381-L411 PolarHBondContact O-N 2.89Å
382	V	92	Very high	87.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.4	168.4	178.2	0	0	0	0	107.6	I379 K384 K385 V387 V395 M398 L399 V408 L410	I379-V382 HydrophobicContact CG2-CG2 3.91Å; V382-K384 VanDerWaalsContact C-N 3.26Å; V382-K384 PolarHBondContact O-N 2.86Å; V382-K385 PolarHBondContact N-O 2.94Å; V382-K385 WeakPolarHBondContact O-CB 3.07Å; V382-K385 PolarHBondContact O-N 2.91Å; V382-V387 HydrophobicContact CB-CG1 3.86Å; V382-V387 HydrophobicContact CG2-CG1 3.64Å; V382-V387 HydrophobicContact CG2-CG2 4.42Å; V382-V395 HydrophobicContact CG2-CG1 4.43Å; V382-M398 HydrophobicContact CB-CE 4.16Å; V382-M398 HydrophobicContact CB-SD 4.22Å; V382-M398 HydrophobicContact CG1-CG 4.12Å; V382-M398 HydrophobicContact CG1-SD 4.33Å; V382-L399 HydrophobicContact CG1-CD2 3.85Å; V382-L399 HydrophobicContact CG2-CD2 4.31Å; V382-V408 HydrophobicContact CG1-CG1 4.04Å; V382-L410 HydrophobicContact CB-CD2 4.34Å; V382-L410 HydrophobicContact CG1-CD2 4.23Å; V382-L410 HydrophobicContact CG2-CD2 3.79Å
383	N	88.3	Confident	87.4	Confident	66 Å²	66	61.2 Å²	61.2	35%	0.353	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.1	-176.9	-66.1	-33.7	0	0	0	113.8	K385 C402 V408 T409	N383-K385 PolarHBondContact O-N 3.45Å; N383-C402 PolarHBondContact ND2-SG 2.92Å; N383-C402 VanDerWaalsContact ND2-SG 3.42Å; N383-V408 WeakPolarHBondContact OD1-CA 3.44Å; N383-T409 PolarHBondContact N-O 3.43Å; N383-T409 PolarHBondContact OD1-N 3.4Å
384	K	84.6	Confident	87.2	Confident	177 Å²	177	65.2 Å²	65.2	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	17.2	-177.2	-48.7	-179	-177.8	-178.8	0	115.4	E381 V382	E381-K384 WeakPolarHBondContact OE2-CA 3.37Å; V382-K384 VanDerWaalsContact C-N 3.26Å; V382-K384 PolarHBondContact O-N 2.86Å
385	K	84.7	Confident	87.2	Confident	127 Å²	127	59.4 Å²	59.4	55%	0.552	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.2	163.2	-63.8	174.1	173.7	-177.5	0	108.1	E381 V382 N383 V387 M398	E381-K385 CarbonylContact C-O 3.59Å; E381-K385 WeakPolarHBondContact CA-O 3.36Å; E381-K385 WeakPolarHBondContact CB-O 3.38Å; V382-K385 PolarHBondContact N-O 2.94Å; V382-K385 WeakPolarHBondContact O-CB 3.07Å; V382-K385 PolarHBondContact O-N 2.91Å; N383-K385 PolarHBondContact O-N 3.45Å; K385-V387 WeakPolarHBondContact O-CG1 3.33Å; K385-M398 HydrophobicContact CB-SD 4.19Å; K385-M398 HydrophobicContact CD-SD 3.54Å; K385-M398 VanDerWaalsContact CD-SD 3.54Å; K385-M398 HydrophobicContact CG-SD 4.49Å
386	N	88.6	Confident	87.3	Confident	76 Å²	76	56.2 Å²	56.2	41%	0.406	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.7	171.4	-174.6	-70.1	0	0	0	109.9	V380 Q388	V380-N386 WeakPolarHBondContact O-CA 3.25Å; N386-Q388 PolarHBondContact ND2-OE1 2.87Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.36Å; N386-Q388 PolarHBondContact OD1-N 2.8Å
387	V	87.6	Confident	87.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.			trans	-120.2	6	-177	-47.3	0	0	0	0	113.7	I379 V380 V382 K385 A389 L390 V395 M398	I379-V387 HydrophobicContact CB-CG2 4.23Å; I379-V387 HydrophobicContact CG2-CG2 3.78Å; I379-V387 VanDerWaalsContact O-CG2 3.3Å; I379-V387 WeakPolarHBondContact O-CG2 3.46Å; V380-V387 PolarHBondContact O-N 2.91Å; V382-V387 HydrophobicContact CB-CG1 3.86Å; V382-V387 HydrophobicContact CG2-CG1 3.64Å; V382-V387 HydrophobicContact CG2-CG2 4.42Å; K385-V387 WeakPolarHBondContact O-CG1 3.33Å; V387-A389 VanDerWaalsContact C-N 3.35Å; V387-L390 HydrophobicContact CB-CD1 4.21Å; V387-L390 HydrophobicContact CG1-CD1 4.22Å; V387-L390 PolarHBondContact O-N 3.39Å; V387-V395 HydrophobicContact CB-CG1 4.34Å; V387-V395 HydrophobicContact CB-CG2 3.85Å; V387-V395 HydrophobicContact CG2-CG1 4.37Å; V387-V395 HydrophobicContact CG2-CG2 4.42Å; V387-M398 HydrophobicContact CB-CE 4.43Å; V387-M398 HydrophobicContact CG1-CE 3.44Å; V387-M398 VanDerWaalsContact CG1-CE 3.44Å
388	Q	84.5	Confident	87.2	Confident	65 Å²	65	58.9 Å²	58.9	30%	0.304	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-32.9	-175.8	-55.4	-169.5	-81.1	0	0	112.4	G357 G358 V380 N386	G357-Q388 VanDerWaalsContact O-CG 3.32Å; G357-Q388 WeakPolarHBondContact O-CG 3.48Å; G357-Q388 PolarHBondContact O-NE2 2.91Å; G358-Q388 PolarHBondContact N-O 2.88Å; V380-Q388 HydrophobicContact CB-CG 4.45Å; V380-Q388 HydrophobicContact CG1-CG 4.17Å; N386-Q388 PolarHBondContact ND2-OE1 2.87Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.36Å; N386-Q388 PolarHBondContact OD1-N 2.8Å
389	A	78.9	Confident	87.1	Confident	95 Å²	95	58.9 Å²	58.9	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	10.4	175.5	0	0	0	0	0	113.7	V387	V387-A389 VanDerWaalsContact C-N 3.35Å
390	L	83.1	Confident	87	Confident	59 Å²	59	63.6 Å²	63.6	31%	0.309	34%	0.338	S	S	.	.	S	Bend	trans	-101.4	142.1	178.6	-63.1	-177.5	0	0	0	110.9	V387 Q394 V395 M398	V387-L390 HydrophobicContact CB-CD1 4.21Å; V387-L390 HydrophobicContact CG1-CD1 4.22Å; V387-L390 PolarHBondContact O-N 3.39Å; L390-Q394 HydrophobicContact CB-CB 4.12Å; L390-V395 HydrophobicContact CB-CG2 3.64Å; L390-V395 HydrophobicContact CD1-CG2 4.42Å; L390-M398 HydrophobicContact CD1-CE 3.54Å
391	T	85.1	Confident	86.8	Confident	78 Å²	78	70.2 Å²	70.2	48%	0.479	37%	0.368	S	S	.	.			trans	-68.6	158.1	177.2	70.5	0	0	0	0	111.2	N393 Q394 V395	T391-N393 PolarHBondContact O-N 3.13Å; T391-Q394 WeakPolarHBondContact O-CB 3.47Å; T391-Q394 PolarHBondContact O-N 3.4Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.43Å; T391-Q394 PolarHBondContact OG1-N 2.75Å; T391-Q394 PolarHBondContact OG1-OE1 2.98Å; T391-V395 PolarHBondContact O-N 3.37Å; T391-V395 VanDerWaalsContact O-N 3.08Å
392	H	85.9	Confident	86.6	Confident	52 Å²	52	68.1 Å²	68.1	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-45	-50.8	176.9	-172	78.6	0	0	0	112.7	D352 Q359 Q394 V395 V396	D352-H392 IonicContact OD2-CG 2.84Å; D352-H392 IonicContact OD2-ND1 3.83Å; Q359-H392 PolarHBondContact OE1-ND1 2.59Å; H392-Q394 PolarHBondContact O-N 2.89Å; H392-V395 PolarHBondContact O-N 2.85Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å; H392-V396 PolarHBondContact O-N 2.8Å
393	N	85.9	Confident	86.3	Confident	108 Å²	108	72.2 Å²	72.2	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-43.6	-179.5	-63.3	-14	0	0	0	111.8	T391 V395 V396 D397	T391-N393 PolarHBondContact O-N 3.13Å; N393-V395 VanDerWaalsContact C-N 3.29Å; N393-V395 PolarHBondContact O-N 2.74Å; N393-V396 CarbonylContact O-C 3.49Å; N393-V396 PolarHBondContact O-N 2.86Å; N393-D397 WeakPolarHBondContact O-CB 3.44Å; N393-D397 PolarHBondContact O-N 2.91Å
394	Q	86.8	Confident	86.2	Confident	93 Å²	93	76.4 Å²	76.4	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-34.4	177.6	-70.7	167.4	-16.3	0	0	113.1	L390 T391 H392 M398	L390-Q394 HydrophobicContact CB-CB 4.12Å; T391-Q394 WeakPolarHBondContact O-CB 3.47Å; T391-Q394 PolarHBondContact O-N 3.4Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.43Å; T391-Q394 PolarHBondContact OG1-N 2.75Å; T391-Q394 PolarHBondContact OG1-OE1 2.98Å; H392-Q394 PolarHBondContact O-N 2.89Å; Q394-M398 WeakPolarHBondContact O-CB 3.31Å; Q394-M398 PolarHBondContact O-N 3.19Å; Q394-M398 VanDerWaalsContact O-N 3.1Å
395	V	88.6	Confident	86	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-76.9	-38.1	175.9	-173.7	0	0	0	0	111.3	I350 Q359 V382 V387 L390 T391 H392 N393 L399	I350-V395 HydrophobicContact CD1-CB 4.45Å; I350-V395 HydrophobicContact CD1-CG1 4.11Å; Q359-V395 HydrophobicContact CB-CG1 4.45Å; Q359-V395 HydrophobicContact CG-CB 3.83Å; Q359-V395 HydrophobicContact CG-CG1 3.93Å; Q359-V395 HydrophobicContact CG-CG2 3.78Å; V382-V395 HydrophobicContact CG2-CG1 4.43Å; V387-V395 HydrophobicContact CB-CG1 4.34Å; V387-V395 HydrophobicContact CB-CG2 3.85Å; V387-V395 HydrophobicContact CG2-CG1 4.37Å; V387-V395 HydrophobicContact CG2-CG2 4.42Å; L390-V395 HydrophobicContact CB-CG2 3.64Å; L390-V395 HydrophobicContact CD1-CG2 4.42Å; T391-V395 PolarHBondContact O-N 3.37Å; T391-V395 VanDerWaalsContact O-N 3.08Å; H392-V395 PolarHBondContact O-N 2.85Å; N393-V395 VanDerWaalsContact C-N 3.29Å; N393-V395 PolarHBondContact O-N 2.74Å; V395-L399 HydrophobicContact CG1-CD1 4.3Å; V395-L399 WeakPolarHBondContact O-CB 3.33Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.33Å; V395-L399 PolarHBondContact O-N 3.23Å; V395-L399 VanDerWaalsContact O-N 3.08Å
396	V	89.2	Confident	86	Confident	48 Å²	48	66.2 Å²	66.2	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-49.7	170.6	169.7	0	0	0	0	110.4	I350 H392 N393 M398 L399 V400	I350-V396 HydrophobicContact CD1-CG2 3.94Å; I350-V396 HydrophobicContact CG1-CG2 4.36Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å; H392-V396 PolarHBondContact O-N 2.8Å; N393-V396 CarbonylContact O-C 3.49Å; N393-V396 PolarHBondContact O-N 2.86Å; V396-M398 PolarHBondContact O-N 3.09Å; V396-L399 CarbonylContact O-C 3.57Å; V396-L399 WeakPolarHBondContact O-CB 3.4Å; V396-L399 PolarHBondContact O-N 3.26Å; V396-L399 VanDerWaalsContact O-N 3.14Å; V396-V400 HydrophobicContact CG1-CG2 4.12Å; V396-V400 WeakPolarHBondContact O-CB 3.25Å; V396-V400 VanDerWaalsContact O-CG2 3.28Å; V396-V400 WeakPolarHBondContact O-CG2 3.46Å; V396-V400 PolarHBondContact O-N 3.48Å
397	D	87.4	Confident	85.9	Confident	91 Å²	91	68.3 Å²	68.3	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-48	-179.2	-71	-30.1	0	0	0	111	N393 L399 V400 E401	N393-D397 WeakPolarHBondContact O-CB 3.44Å; N393-D397 PolarHBondContact O-N 2.91Å; D397-L399 VanDerWaalsContact C-N 3.29Å; D397-L399 PolarHBondContact O-N 2.79Å; D397-V400 CarbonylContact O-C 3.47Å; D397-V400 WeakPolarHBondContact O-CA 3.3Å; D397-V400 WeakPolarHBondContact O-CB 3.46Å; D397-V400 PolarHBondContact O-N 2.98Å; D397-E401 WeakPolarHBondContact O-CG 3.12Å; D397-E401 PolarHBondContact O-N 2.77Å
398	M	87.6	Confident	86.1	Confident	19 Å²	19	68.3 Å²	68.3	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-60.1	-36.1	175.5	174.3	163.7	43.8	0	0	113.3	V382 K385 V387 L390 Q394 V396 C402	V382-M398 HydrophobicContact CB-CE 4.16Å; V382-M398 HydrophobicContact CB-SD 4.22Å; V382-M398 HydrophobicContact CG1-CG 4.12Å; V382-M398 HydrophobicContact CG1-SD 4.33Å; K385-M398 HydrophobicContact CB-SD 4.19Å; K385-M398 HydrophobicContact CD-SD 3.54Å; K385-M398 VanDerWaalsContact CD-SD 3.54Å; K385-M398 HydrophobicContact CG-SD 4.49Å; V387-M398 HydrophobicContact CB-CE 4.43Å; V387-M398 HydrophobicContact CG1-CE 3.44Å; V387-M398 VanDerWaalsContact CG1-CE 3.44Å; L390-M398 HydrophobicContact CD1-CE 3.54Å; Q394-M398 WeakPolarHBondContact O-CB 3.31Å; Q394-M398 PolarHBondContact O-N 3.19Å; Q394-M398 VanDerWaalsContact O-N 3.1Å; V396-M398 PolarHBondContact O-N 3.09Å; M398-C402 PolarHBondContact O-N 3.37Å; M398-C402 PolarHBondContact O-SG 2.74Å
399	L	88.9	Confident	86.4	Confident	14 Å²	14	67 Å²	67	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-70.9	-36.9	171.5	-71.4	169.7	0	0	0	111.1	K341 F346 F348 I350 V382 V395 V396 D397 C402 V408 L410	K341-L399 PolarHBondContact NZ-O 3.23Å; F346-L399 HydrophobicContact CD2-CB 4.36Å; F346-L399 HydrophobicContact CD2-CD2 4.19Å; F346-L399 HydrophobicContact CE2-CB 3.87Å; F346-L399 HydrophobicContact CE2-CD2 3.75Å; F346-L399 HydrophobicContact CE2-CG 4.41Å; F346-L399 VanDerWaalsContact CE2-O 3.28Å; F346-L399 WeakPolarHBondContact CE2-O 3.37Å; F346-L399 HydrophobicContact CZ-CD2 4.28Å; F348-L399 HydrophobicContact CZ-CD1 4.46Å; I350-L399 HydrophobicContact CD1-CD1 4.26Å; V382-L399 HydrophobicContact CG1-CD2 3.85Å; V382-L399 HydrophobicContact CG2-CD2 4.31Å; V395-L399 HydrophobicContact CG1-CD1 4.3Å; V395-L399 WeakPolarHBondContact O-CB 3.33Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.33Å; V395-L399 PolarHBondContact O-N 3.23Å; V395-L399 VanDerWaalsContact O-N 3.08Å; V396-L399 CarbonylContact O-C 3.57Å; V396-L399 WeakPolarHBondContact O-CB 3.4Å; V396-L399 PolarHBondContact O-N 3.26Å; V396-L399 VanDerWaalsContact O-N 3.14Å; D397-L399 VanDerWaalsContact C-N 3.29Å; D397-L399 PolarHBondContact O-N 2.79Å; L399-C402 PolarHBondContact O-N 3.32Å; L399-V408 HydrophobicContact CD2-CG1 4.46Å; L399-L410 HydrophobicContact CD2-CD2 4.32Å
400	V	88.6	Confident	87.1	Confident	99 Å²	99	62.5 Å²	62.5	60%	0.6	34%	0.343	S	S	*	.	H	α-helix	trans	-68.2	-35.6	176.7	168.1	0	0	0	0	112.2	K341 V396 D397	K341-V400 VanDerWaalsContact NZ-C 3.26Å; K341-V400 PolarHBondContact NZ-O 2.99Å; V396-V400 HydrophobicContact CG1-CG2 4.12Å; V396-V400 WeakPolarHBondContact O-CB 3.25Å; V396-V400 VanDerWaalsContact O-CG2 3.28Å; V396-V400 WeakPolarHBondContact O-CG2 3.46Å; V396-V400 PolarHBondContact O-N 3.48Å; D397-V400 CarbonylContact O-C 3.47Å; D397-V400 WeakPolarHBondContact O-CA 3.3Å; D397-V400 WeakPolarHBondContact O-CB 3.46Å; D397-V400 PolarHBondContact O-N 2.98Å
401	E	86.1	Confident	87.4	Confident	150 Å²	150	61.3 Å²	61.3	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-68.8	-29.4	176.3	-75.7	-174.2	156.5	0	0	113.8	D397	D397-E401 WeakPolarHBondContact O-CG 3.12Å; D397-E401 PolarHBondContact O-N 2.77Å
402	C	86.6	Confident	87.8	Confident	13 Å²	13	57.6 Å²	57.6	9%	0.088	31%	0.314	C	S	.	.	S	Bend	trans	-55.8	132.5	179.5	-70.8	0	0	0	0	111.3	K341 F346 N383 M398 L399 V408	K341-C402 HydrophobicContact CD-CB 4.31Å; K341-C402 WeakPolarHBondContact CD-O 3.35Å; K341-C402 WeakPolarHBondContact CE-O 3.41Å; K341-C402 PolarHBondContact NZ-O 2.86Å; F346-C402 HydrophobicContact CZ-CB 3.92Å; N383-C402 PolarHBondContact ND2-SG 2.92Å; N383-C402 VanDerWaalsContact ND2-SG 3.42Å; M398-C402 PolarHBondContact O-N 3.37Å; M398-C402 PolarHBondContact O-SG 2.74Å; L399-C402 PolarHBondContact O-N 3.32Å; C402-V408 HydrophobicContact CB-CG2 3.76Å
403	P	86.5	Confident	87.8	Confident	87 Å²	87	58 Å²	58	57%	0.565	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-57.3	147.4	-177.5	-27.8	35	0	0	0	114.5	G405 S406	P403-G405 PolarHBondContact O-N 2.83Å; P403-S406 WeakPolarHBondContact CD-OG 3.07Å; P403-S406 PolarHBondContact O-N 3.15Å; P403-S406 PolarHBondContact O-OG 3.22Å
404	K	85.6	Confident	87.9	Confident	154 Å²	154	55.5 Å²	55.5	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	130	169.6	-64.4	-165.7	-177.8	-165.5	0	108.8	P343	P343-K404 PolarHBondContact O-NZ 2.74Å
405	G	79.8	Confident	86.8	Confident	55 Å²	55	53.7 Å²	53.7	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-5.6	-174.1	0	0	0	0	0	115.7	K341 P403	K341-G405 PolarHBondContact O-N 3.16Å; P403-G405 PolarHBondContact O-N 2.83Å
406	S	84.9	Confident	85	Confident	34 Å²	34	56.2 Å²	56.2	24%	0.238	33%	0.332	C	S	.	.			trans	-78.6	143.5	169.7	65.5	0	0	0	0	111.4	K341 P403	K341-S406 PolarHBondContact N-O 3.23Å; K341-S406 VanDerWaalsContact N-O 3.09Å; P403-S406 WeakPolarHBondContact CD-OG 3.07Å; P403-S406 PolarHBondContact O-N 3.15Å; P403-S406 PolarHBondContact O-OG 3.22Å
407	E	87.3	Confident	82.8	Confident	120 Å²	120	61.4 Å²	61.4	56%	0.561	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.3	164.8	-172.2	166.8	-121.4	0	0	110.1	H338 V340	H338-E407 HydrophobicContact CB-CG 4.05Å; V340-E407 HydrophobicContact CG2-CB 4.07Å; V340-E407 HydrophobicContact CG2-CG 4.27Å
408	V	90.9	Very high	80.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.1	174.7	168.5	0	0	0	0	108.9	H338 I339 F346 V382 N383 L399 C402 L410	H338-V408 WeakPolarHBondContact CA-O 3.37Å; I339-V408 PolarHBondContact N-O 2.68Å; I339-V408 PolarHBondContact O-N 2.89Å; F346-V408 HydrophobicContact CE1-CB 3.76Å; F346-V408 HydrophobicContact CE1-CG1 4.43Å; F346-V408 HydrophobicContact CE1-CG2 3.59Å; F346-V408 HydrophobicContact CZ-CB 4.09Å; F346-V408 HydrophobicContact CZ-CG1 4.45Å; F346-V408 HydrophobicContact CZ-CG2 3.58Å; V382-V408 HydrophobicContact CG1-CG1 4.04Å; N383-V408 WeakPolarHBondContact OD1-CA 3.44Å; L399-V408 HydrophobicContact CD2-CG1 4.46Å; C402-V408 HydrophobicContact CB-CG2 3.76Å; V408-L410 HydrophobicContact CG1-CD2 3.93Å
409	T	91.1	Very high	77.6	Confident	37 Å²	37	67.7 Å²	67.7	23%	0.227	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	177.3	-54.3	0	0	0	0	109.2	T336 H338 N383	T336-T409 HydrophobicContact CG2-CG2 3.45Å; T336-T409 VanDerWaalsContact CG2-CG2 3.45Å; H338-T409 PolarHBondContact CE1-OG1 3.38Å; H338-T409 PolarHBondContact ND1-OG1 2.94Å; H338-T409 VanDerWaalsContact ND1-OG1 3.15Å; N383-T409 PolarHBondContact N-O 3.43Å; N383-T409 PolarHBondContact OD1-N 3.4Å
410	L	93.1	Very high	74.9	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.6	172.5	-54.5	179.3	0	0	0	108.8	T336 V337 I339 F348 L373 I379 E381 V382 L399 V408 V412	T336-L410 CarbonylContact C-O 3.43Å; T336-L410 WeakPolarHBondContact CA-O 3.35Å; V337-L410 PolarHBondContact N-O 3.14Å; V337-L410 PolarHBondContact O-N 3.18Å; I339-L410 HydrophobicContact CD1-CD1 3.72Å; I339-L410 HydrophobicContact CG1-CD1 4.48Å; F348-L410 HydrophobicContact CE1-CD1 4.02Å; F348-L410 HydrophobicContact CZ-CD1 3.7Å; L373-L410 HydrophobicContact CD1-CD1 4.09Å; I379-L410 HydrophobicContact CG2-CD2 4.46Å; E381-L410 WeakPolarHBondContact O-CA 3.37Å; V382-L410 HydrophobicContact CB-CD2 4.34Å; V382-L410 HydrophobicContact CG1-CD2 4.23Å; V382-L410 HydrophobicContact CG2-CD2 3.79Å; L399-L410 HydrophobicContact CD2-CD2 4.32Å; V408-L410 HydrophobicContact CG1-CD2 3.93Å; L410-V412 HydrophobicContact CB-CG1 4.03Å
411	L	90.6	Very high	72	Confident	34 Å²	34	77.4 Å²	77.4	18%	0.178	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.7	161.3	-170.9	67.5	0	0	0	107.2	L334 V380 E381	L334-L411 HydrophobicContact CB-CD1 4.33Å; L334-L411 HydrophobicContact CD2-CD2 4.25Å; L334-L411 HydrophobicContact CD2-CG 4.22Å; V380-L411 HydrophobicContact CB-CD2 4.47Å; V380-L411 HydrophobicContact CB-CG 4.48Å; V380-L411 HydrophobicContact CG1-CD2 4.25Å; V380-L411 PolarHBondContact N-O 3.42Å; E381-L411 HydrophobicContact CB-CB 3.77Å; E381-L411 HydrophobicContact CG-CB 3.96Å; E381-L411 HydrophobicContact CG-CD2 3.98Å; E381-L411 PolarHBondContact N-O 2.78Å; E381-L411 VanDerWaalsContact N-O 3.15Å; E381-L411 PolarHBondContact O-N 2.89Å
412	V	92.1	Very high	69.3	Low	0 Å²	0	79.5 Å²	79.5	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	-178.2	-50.4	0	0	0	0	112	I335 V337 L373 D377 L378 I379 L410	I335-V412 HydrophobicContact CB-CG2 4.13Å; I335-V412 PolarHBondContact N-O 2.89Å; I335-V412 PolarHBondContact O-N 2.74Å; V337-V412 HydrophobicContact CG2-CG2 4Å; L373-V412 HydrophobicContact CD1-CG1 3.89Å; D377-V412 HydrophobicContact CB-CB 4.07Å; D377-V412 HydrophobicContact CB-CG2 4.06Å; L378-V412 CarbonylContact O-C 3.59Å; L378-V412 WeakPolarHBondContact O-CA 3.48Å; I379-V412 HydrophobicContact CG1-CG1 4.15Å; L410-V412 HydrophobicContact CB-CG1 4.03Å
413	Q	87.3	Confident	66.7	Low	61 Å²	61	84.2 Å²	84.2	29%	0.285	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.4	178.4	-172.8	-178	-43.8	0	0	110.2	P332 E333 L334 L378 V380	P332-Q413 HydrophobicContact CB-CG 3.57Å; P332-Q413 VanDerWaalsContact CB-NE2 3.29Å; E333-Q413 CarbonylContact O-C 3.44Å; E333-Q413 WeakPolarHBondContact O-CA 3.17Å; L334-Q413 HydrophobicContact CD2-CB 3.96Å; L334-Q413 HydrophobicContact CD2-CG 4.33Å; L378-Q413 HydrophobicContact CB-CB 4.25Å; L378-Q413 PolarHBondContact N-O 3.42Å; L378-Q413 PolarHBondContact O-N 2.78Å; V380-Q413 HydrophobicContact CG2-CB 3.77Å
414	R	86.6	Confident	64.5	Low	54 Å²	54	85.1 Å²	85.1	20%	0.204	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.5	-176.7	-172.1	177	-69.5	154.8	2.5	110.7	E333 I335 G372 D377	E333-R414 PolarHBondContact N-O 2.69Å; E333-R414 PolarHBondContact O-N 2.91Å; I335-R414 HydrophobicContact CD1-CB 3.84Å; I335-R414 HydrophobicContact CD1-CG 4.41Å; G372-R414 PolarHBondContact O-NH2 3.46Å; D377-R414 VanDerWaalsContact CG-NH2 3.29Å; D377-R414 IonicContact OD1-CZ 3.54Å; D377-R414 IonicContact OD1-NE 3.85Å; D377-R414 PolarHBondContact OD1-NE 3.06Å; D377-R414 IonicContact OD1-NH2 3.69Å; D377-R414 PolarHBondContact OD1-NH2 3.49Å; D377-R414 VanDerWaalsContact OD1-NH2 3.09Å; D377-R414 IonicContact OD2-CZ 3.27Å; D377-R414 IonicContact OD2-NE 2.71Å; D377-R414 IonicContact OD2-NH2 3.79Å; D377-R414 PolarHBondContact OD2-NH2 2.76Å
415	G	65	Low	61.7	Low	56 Å²	56	87.4 Å²	87.4	58%	0.577	50%	0.504	S	S	*	.			trans	78.8	169.1	-178.6	0	0	0	0	0	114.8	P332	P332-G415 WeakPolarHBondContact CA-O 3.38Å
416	G	49.8	Very low	59.2	Low	53 Å²	53	90.4 Å²	90.4	55%	0.546	52%	0.516	S	S	.	.			trans	114.6	117.1	177.8	0	0	0	0	0	114.3
417	L	42.8	Very low	56.4	Low	157 Å²	157	97.4 Å²	97.4	82%	0.822	55%	0.545	S	S	*	.			trans	-105.1	141.8	160.1	-76.4	169.5	0	0	0	108.5
418	P	33.8	Very low	54.4	Low	131 Å²	131	96.5 Å²	96.5	85%	0.851	55%	0.55	S	S	*	.			trans	-72.8	127.8	170.2	30.3	-32.1	0	0	0	110
419	V	31.8	Very low	51.3	Low	111 Å²	111	103.6 Å²	103.6	67%	0.673	59%	0.587	S	S	*	*			trans	-126.9	129	178.1	-178.2	0	0	0	0	109.5
420	P	32.2	Very low	48.1	Very low	128 Å²	128	107.6 Å²	107.6	83%	0.831	60%	0.603	S	S	*	*			trans	-62.5	156.6	177.5	-24.3	34.9	0	0	0	114.7
421	K	28.8	Very low	44.9	Very low	189 Å²	189	116.5 Å²	116.5	82%	0.822	64%	0.636	S	S	*	*			trans	-135.6	133.5	178	-79.8	172.2	-175.1	167.4	0	106.5
422	K	29.1	Very low	42	Very low	194 Å²	194	122.7 Å²	122.7	84%	0.843	66%	0.662	S	S	*	*			cis	-153.8	157.9	4.2	-86.4	157.9	176.6	-179.8	0	108.9
423	S	32.2	Very low	38.9	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	69%	0.689	S	S	*	*			trans	-79.6	169.4	162.2	56.7	0	0	0	0	112.7
424	P	40.8	Very low	36.3	Very low	107 Å²	107	129.1 Å²	129.1	70%	0.695	71%	0.705	S	S	*	*				-155.8	151.2	104.2	37.9	-19.9	0	0	0	119
425	K	26.7	Very low	33.7	Very low	202 Å²	202	135.1 Å²	135.1	88%	0.878	74%	0.735	S	S	*	*			trans	70	153.3	150.6	-68.9	169.5	-179.8	-179	0	118.2
426	S	26.5	Very low	31.8	Very low	118 Å²	118	139 Å²	139	83%	0.825	74%	0.743	S	S	*	*			cis	-154.6	174.9	-2.6	30.1	0	0	0	0	113.3
427	Q	25.5	Very low	30.9	Very low	181 Å²	181	140.5 Å²	140.5	85%	0.846	75%	0.745	S	S	*	*			trans	-82	-165.7	176.8	-58	178.6	-16.5	0	0	112.9
428	P	44.7	Very low	30.6	Very low	100 Å²	100	137.3 Å²	137.3	65%	0.649	74%	0.736	S	S	*	*				-133.2	177.6	-62.8	36.5	-19.6	0	0	0	114.2
429	L	25.8	Very low	30.6	Very low	151 Å²	151	139 Å²	139	79%	0.791	73%	0.732	S	S	*	*			trans	66.8	161.5	169.4	-60.7	147.6	0	0	0	113.8
430	E	24	Very low	30.5	Very low	120 Å²	120	140.6 Å²	140.6	56%	0.561	73%	0.732	S	S	*	*			cis	-153.4	170.1	0.3	-138.8	-178	-151.1	0	0	112.4
431	R	26.3	Very low	30.3	Very low	189 Å²	189	138.8 Å²	138.8	71%	0.713	72%	0.723	S	S	*	*			trans	36	121.6	149.6	-79.7	170.3	-167.4	127.8	11.9	121
432	K	29.9	Very low	30.3	Very low	164 Å²	164	136.3 Å²	136.3	71%	0.713	72%	0.723	S	S	*	*				86.3	145	90.5	-138.2	-177.6	165.5	-78.7	0	110.4
433	D	28.2	Very low	30.1	Very low	105 Å²	105	132.2 Å²	132.2	56%	0.561	72%	0.719	S	S	*	*			cis	-146.8	148.3	33.1	-111.7	-64.5	0	0	0	110.9
434	S	31.8	Very low	29.9	Very low	90 Å²	90	131.2 Å²	131.2	63%	0.629	71%	0.712	S	S	*	*				60.1	145.6	101.9	-59.9	0	0	0	0	116.4
435	Q	32.5	Very low	29.2	Very low	180 Å²	180	134.9 Å²	134.9	84%	0.841	72%	0.72	S	S	*	*			cis	-138.6	178	6.6	-104.1	132.9	-33.6	0	0	108.1
436	N	25.3	Very low	29.2	Very low	139 Å²	139	137 Å²	137	74%	0.743	72%	0.722	S	S	*	*			cis	-155.4	126.4	29.6	-165.2	36.5	0	0	0	107.7
437	S	31.3	Very low	29.5	Very low	83 Å²	83	136.3 Å²	136.3	58%	0.58	72%	0.717	S	S	*	*				49	139.5	91.6	-132.9	0	0	0	0	115.4
438	S	35	Very low	29.4	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	71%	0.712	S	S	*	*			cis	-149	174	24	63.2	0	0	0	0	110.5
439	Q	33.7	Very low	28.5	Very low	165 Å²	165	136.9 Å²	136.9	77%	0.771	71%	0.714	S	S	*	*			cis	-129.7	-122.3	19	-62.4	-178.7	7.3	0	0	114.1
440	H	31.4	Very low	28.6	Very low	145 Å²	145	136.5 Å²	136.5	67%	0.671	72%	0.718	S	S	*	*			trans	-157.2	163.4	-138.8	-60.4	-49.4	0	0	0	112.1
441	S	27.9	Very low	28.8	Very low	91 Å²	91	135.4 Å²	135.4	64%	0.636	73%	0.73	S	S	*	*			cis	-175.6	178.8	-22.7	-88.5	0	0	0	0	108.6
442	V	27	Very low	28.8	Very low	137 Å²	137	131.3 Å²	131.3	83%	0.83	73%	0.73	S	S	*	*			trans	68.7	160.6	173.5	-36.1	0	0	0	0	115.6
443	S	26.3	Very low	29.2	Very low	107 Å²	107	129 Å²	129	75%	0.748	73%	0.732	S	S	*	*			cis	-122.3	155.6	-4.7	57.6	0	0	0	0	110.6
444	S	27.4	Very low	29	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	74%	0.739	S	S	*	*			cis	96.5	92.3	18.8	-59.6	0	0	0	0	116.7
445	H	26.7	Very low	28.6	Very low	185 Å²	185	133 Å²	133	86%	0.856	75%	0.748	S	S	*	*				42	130.6	128.6	-60.4	-72.9	0	0	0	123
446	R	26.6	Very low	28.2	Very low	247 Å²	247	129.5 Å²	129.5	93%	0.932	74%	0.744	S	S	*	*			trans	83.3	129.6	138.8	-136.9	176.3	-165.3	-173.1	3.3	118.8
447	S	32.3	Very low	28.2	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.746	S	S	*	*			trans	-58.2	157.8	-180	-29.7	0	0	0	0	115.2
448	L	24.1	Very low	28.2	Very low	141 Å²	141	133.7 Å²	133.7	74%	0.738	76%	0.759	S	S	*	*				-177.8	159.8	102.6	-94.8	172.6	0	0	0	113.9
449	H	25.8	Very low	27.7	Very low	152 Å²	152	135.8 Å²	135.8	70%	0.704	77%	0.767	S	S	*	*			trans	59.3	114.3	161.9	-58.2	-54.3	0	0	0	122.1
450	T	28.2	Very low	27.4	Very low	143 Å²	143	135.2 Å²	135.2	88%	0.877	77%	0.769	S	S	*	*	S	Bend		-103.4	179.1	113.4	64.7	0	0	0	0	109.1
451	A	27.6	Very low	28.3	Very low	98 Å²	98	133 Å²	133	81%	0.81	77%	0.767	S	S	*	*			trans	-84.5	154	-153.8	0	0	0	0	0	117.4
452	S	25.8	Very low	28	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	78%	0.777	S	S	*	*			trans	-65.1	165.9	169	-35.9	0	0	0	0	112.5
453	P	37.9	Very low	28.1	Very low	116 Å²	116	140 Å²	140	75%	0.753	78%	0.778	S	S	*	*				-146.5	157.7	77.6	40.7	-23.8	0	0	0	118
454	S	24.4	Very low	29.4	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	78%	0.777	S	S	*	*			trans	37.3	116.7	147.5	60.4	0	0	0	0	123.3
455	H	24.8	Very low	30.7	Very low	180 Å²	180	141.1 Å²	141.1	83%	0.833	78%	0.781	S	S	*	*				23.1	124.8	125.2	-76.9	-95.2	0	0	0	121.8
456	S	24.1	Very low	30.9	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	77%	0.774	S	S	*	*			trans	76.7	160.5	134.8	68	0	0	0	0	122
457	T	25	Very low	31	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	77%	0.772	S	S	*	*			trans	73	103.8	170.5	24.1	0	0	0	0	120.6
458	Q	30	Very low	31	Very low	181 Å²	181	133.1 Å²	133.1	85%	0.846	77%	0.772	S	S	*	*			trans	31.3	155	140.4	-54.7	-168.7	9.1	0	0	124.5
459	V	25.7	Very low	31.1	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	78%	0.781	S	S	*	*			trans	102.6	146.6	155.5	-165.7	0	0	0	0	117.7
460	L	26	Very low	31.4	Very low	153 Å²	153	132.8 Å²	132.8	80%	0.801	78%	0.782	S	S	*	*			trans	-75.6	-175.5	177.6	-100.5	71.9	0	0	0	113.2
461	P	50.4	Low	32.3	Very low	97 Å²	97	132 Å²	132	63%	0.63	78%	0.78	S	S	*	*			cis	-140.7	-171.8	-29.1	35.2	-14	0	0	0	115.4
462	E	23	Very low	32.3	Very low	181 Å²	181	134 Å²	134	85%	0.846	78%	0.777	S	S	*	*			trans	87.6	169.2	140	-122.6	153.4	136.4	0	0	124.4
463	F	27.6	Very low	32.6	Very low	196 Å²	196	136.5 Å²	136.5	86%	0.86	78%	0.777	S	S	*	*			trans	-109.2	-167.5	-167.9	-88.4	-83.6	0	0	0	110.9
464	P	55	Low	32.2	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	78%	0.776	S	S	*	*			cis	-123.9	-124.4	-41	32.6	-9.8	0	0	0	109
465	P	54.4	Low	32.3	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	78%	0.782	S	S	*	*			cis	-132.6	-175	-39	38.7	-20.3	0	0	0	116.2
466	A	31.4	Very low	32.6	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	77%	0.774	S	S	*	*			trans	71.5	158.4	146	0	0	0	0	0	119.8
467	E	28.4	Very low	32.9	Very low	193 Å²	193	136 Å²	136	90%	0.902	78%	0.78	S	S	*	*			cis	-153.2	-162.5	-7.4	-132.6	171.3	167.5	0	0	113.5
468	A	31.4	Very low	33.2	Very low	87 Å²	87	133 Å²	133	72%	0.719	78%	0.775	S	S	*	*			trans	-79.7	-174.3	-174.7	0	0	0	0	0	114.5
469	Q	27.1	Very low	33.5	Very low	196 Å²	196	134 Å²	134	92%	0.916	78%	0.78	S	S	*	*			cis	-159.7	179.9	13.5	-148.1	161.4	19	0	0	110.6
470	A	32.4	Very low	34.5	Very low	89 Å²	89	137 Å²	137	74%	0.736	78%	0.782	S	S	*	*			trans	-98.2	167.9	-179.2	0	0	0	0	0	113.8
471	P	45.5	Very low	35.5	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	79%	0.785	S	S	*	*				-158.3	160.3	94	42.6	-23.4	0	0	0	120.1
472	D	29	Very low	35.8	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	78%	0.783	S	S	*	*			trans	66.3	158.6	143.3	-125.6	-6.4	0	0	0	127.6
473	Q	30.8	Very low	37.3	Very low	155 Å²	155	133.8 Å²	133.8	72%	0.724	76%	0.762	S	S	*	*			trans	-44.1	169.2	178.2	-78.2	165.9	98.7	0	0	119.7
474	T	29.5	Very low	38.5	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	75%	0.753	S	S	*	*			cis	-156.2	152.8	4.6	23.7	0	0	0	0	109.8
475	D	26.8	Very low	38.6	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	75%	0.749	S	S	*	*				177	-175.5	106.1	-155.7	-3.2	0	0	0	111.8
476	S	30.8	Very low	38.5	Very low	98 Å²	98	133 Å²	133	69%	0.685	75%	0.746	S	S	*	*			trans	-99.7	158.9	-160.3	-46.1	0	0	0	0	111.8
477	S	30.7	Very low	40	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	73%	0.732	S	S	*	*			cis	-175.6	174.5	44.6	52.8	0	0	0	0	111.1
478	G	30.9	Very low	41.7	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	71%	0.714	S	S	*	*			trans	110	29.8	154.4	0	0	0	0	0	119.5	K480	G478-K480 PolarHBondContact O-N 2.7Å
479	Q	37.5	Very low	42.9	Very low	202 Å²	202	128.3 Å²	128.3	94%	0.944	70%	0.699	S	S	*	*			trans	-66.6	99.2	168.3	-79.1	-156.9	-23.6	0	0	111.9
480	K	45.3	Very low	44	Very low	196 Å²	196	125 Å²	125	85%	0.852	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-60.3	137	162.6	-70.8	179.2	177.4	176.5	0	109	G478	G478-K480 PolarHBondContact O-N 2.7Å
481	K	46.5	Very low	45	Very low	200 Å²	200	123.7 Å²	123.7	87%	0.87	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-50.6	133.2	174.4	-66.8	179.5	179.4	178.6	0	109.6
482	P	58.4	Low	45.3	Very low	89 Å²	89	124.2 Å²	124.2	58%	0.578	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-63	147.1	174.8	-13.5	26.1	0	0	0	110.2	P484 I487	P482-P484 WeakPolarHBondContact O-CD 3.18Å; P482-I487 HydrophobicContact CB-CD1 3.91Å; P482-I487 HydrophobicContact CB-CG1 3.86Å; P482-I487 HydrophobicContact CG-CD1 4.24Å; P482-I487 WeakPolarHBondContact O-CD1 3.5Å
483	D	53.6	Low	46.2	Very low	76 Å²	76	120.1 Å²	120.1	41%	0.406	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-50.5	120	176.9	167.4	5.1	0	0	0	110.8	F485 K486 I487	D483-F485 PolarHBondContact O-N 2.96Å; D483-F485 VanDerWaalsContact O-N 3.12Å; D483-F485 WeakPolarHBondContact OD1-CB 3.35Å; D483-F485 PolarHBondContact OD1-N 2.77Å; D483-K486 HydrophobicContact CB-CB 4.1Å; D483-K486 HydrophobicContact CB-CD 4.12Å; D483-K486 HydrophobicContact CB-CG 4.19Å; D483-K486 PolarHBondContact O-N 2.74Å; D483-K486 WeakPolarHBondContact OD2-CE 3.39Å; D483-K486 WeakPolarHBondContact OD2-CG 3.4Å; D483-I487 PolarHBondContact O-N 3.3Å
484	P	53.4	Low	47	Very low	104 Å²	104	119.1 Å²	119.1	68%	0.675	63%	0.634	S	S	*	*	H	α-helix	trans	-54	-32.3	-179.5	-27.7	35.5	0	0	0	113.7	P482 W488	P482-P484 WeakPolarHBondContact O-CD 3.18Å; P484-W488 WeakPolarHBondContact O-CB 3.36Å; P484-W488 PolarHBondContact O-N 2.75Å
485	F	56.6	Low	47.9	Very low	147 Å²	147	123.3 Å²	123.3	65%	0.645	64%	0.638	S	S	*	*	H	α-helix	trans	-74	-33.4	179.1	-136.5	-90.9	0	0	0	111.9	D483 W488 A489	D483-F485 PolarHBondContact O-N 2.96Å; D483-F485 VanDerWaalsContact O-N 3.12Å; D483-F485 WeakPolarHBondContact OD1-CB 3.35Å; D483-F485 PolarHBondContact OD1-N 2.77Å; F485-W488 HydrophobicContact CE1-CE3 4.44Å; F485-W488 HydrophobicContact CE1-CZ3 4.41Å; F485-A489 VanDerWaalsContact O-CB 3.28Å; F485-A489 WeakPolarHBondContact O-CB 3.24Å; F485-A489 PolarHBondContact O-N 3.48Å
486	K	53.3	Low	48.6	Very low	147 Å²	147	123.1 Å²	123.1	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-73.2	-39.1	171.2	-72.4	177.2	-171.1	-179.4	0	112.3	D483 W488 Q490	D483-K486 HydrophobicContact CB-CB 4.1Å; D483-K486 HydrophobicContact CB-CD 4.12Å; D483-K486 HydrophobicContact CB-CG 4.19Å; D483-K486 PolarHBondContact O-N 2.74Å; D483-K486 WeakPolarHBondContact OD2-CE 3.39Å; D483-K486 WeakPolarHBondContact OD2-CG 3.4Å; K486-W488 VanDerWaalsContact C-N 3.34Å; K486-Q490 WeakPolarHBondContact O-CB 3.37Å; K486-Q490 PolarHBondContact O-N 2.89Å
487	I	61.4	Low	48.8	Very low	81 Å²	81	124.3 Å²	124.3	42%	0.415	63%	0.631	S	S	.	*	H	α-helix	trans	-58.2	-51.1	170.6	-61.2	173.6	0	0	0	109	P482 D483 A489 Q490 S491	P482-I487 HydrophobicContact CB-CD1 3.91Å; P482-I487 HydrophobicContact CB-CG1 3.86Å; P482-I487 HydrophobicContact CG-CD1 4.24Å; P482-I487 WeakPolarHBondContact O-CD1 3.5Å; D483-I487 PolarHBondContact O-N 3.3Å; I487-A489 PolarHBondContact O-N 3.14Å; I487-Q490 PolarHBondContact O-N 3.09Å; I487-S491 VanDerWaalsContact O-CB 3.24Å; I487-S491 WeakPolarHBondContact O-CB 3.24Å; I487-S491 PolarHBondContact O-N 3.34Å; I487-S491 PolarHBondContact O-OG 3.48Å; I487-S491 VanDerWaalsContact O-OG 3.07Å
488	W	63.8	Low	49.3	Very low	139 Å²	139	128.7 Å²	128.7	53%	0.527	63%	0.629	S	S	.	*	H	α-helix	trans	-59.3	-47.5	-179.9	-175.1	90.3	0	0	0	112.6	P484 F485 K486 S491 R492	P484-W488 WeakPolarHBondContact O-CB 3.36Å; P484-W488 PolarHBondContact O-N 2.75Å; F485-W488 HydrophobicContact CE1-CE3 4.44Å; F485-W488 HydrophobicContact CE1-CZ3 4.41Å; K486-W488 VanDerWaalsContact C-N 3.34Å; W488-S491 PolarHBondContact O-N 3.14Å; W488-R492 VanDerWaalsContact O-CB 3.23Å; W488-R492 WeakPolarHBondContact O-CB 3.42Å; W488-R492 PolarHBondContact O-N 2.82Å
489	A	58.1	Low	49.8	Very low	49 Å²	49	133.3 Å²	133.3	41%	0.405	64%	0.636	S	S	.	*	H	α-helix	trans	-65.7	-42.4	177.9	0	0	0	0	0	112.8	F485 I487 R492 S493	F485-A489 VanDerWaalsContact O-CB 3.28Å; F485-A489 WeakPolarHBondContact O-CB 3.24Å; F485-A489 PolarHBondContact O-N 3.48Å; I487-A489 PolarHBondContact O-N 3.14Å; A489-R492 PolarHBondContact O-N 3.07Å; A489-S493 WeakPolarHBondContact O-CB 3.37Å; A489-S493 PolarHBondContact O-N 2.92Å
490	Q	48.6	Very low	50.4	Low	125 Å²	125	128 Å²	128	58%	0.584	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-43.4	177.1	-166.8	79.7	59.9	0	0	111.2	K486 I487 M494	K486-Q490 WeakPolarHBondContact O-CB 3.37Å; K486-Q490 PolarHBondContact O-N 2.89Å; I487-Q490 PolarHBondContact O-N 3.09Å; Q490-M494 WeakPolarHBondContact O-CB 3.31Å; Q490-M494 VanDerWaalsContact O-CG 3.27Å; Q490-M494 WeakPolarHBondContact O-CG 3.25Å; Q490-M494 PolarHBondContact O-N 3.24Å
491	S	53.9	Low	51	Low	62 Å²	62	123 Å²	123	43%	0.434	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-39.9	175.1	-69	0	0	0	0	112.1	I487 W488 M494 Y495	I487-S491 VanDerWaalsContact O-CB 3.24Å; I487-S491 WeakPolarHBondContact O-CB 3.24Å; I487-S491 PolarHBondContact O-N 3.34Å; I487-S491 PolarHBondContact O-OG 3.48Å; I487-S491 VanDerWaalsContact O-OG 3.07Å; W488-S491 PolarHBondContact O-N 3.14Å; S491-M494 PolarHBondContact O-N 3.13Å; S491-Y495 PolarHBondContact O-N 3.45Å
492	R	52.4	Low	52	Low	138 Å²	138	118.2 Å²	118.2	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-49.5	176.4	-163.1	174	-166.7	106.5	4.2	110.8	W488 A489 M494 Y495 E496	W488-R492 VanDerWaalsContact O-CB 3.23Å; W488-R492 WeakPolarHBondContact O-CB 3.42Å; W488-R492 PolarHBondContact O-N 2.82Å; A489-R492 PolarHBondContact O-N 3.07Å; R492-M494 VanDerWaalsContact C-N 3.3Å; R492-M494 PolarHBondContact O-N 2.97Å; R492-Y495 PolarHBondContact O-N 3.37Å; R492-Y495 VanDerWaalsContact O-N 3.08Å; R492-E496 VanDerWaalsContact O-CB 3.26Å; R492-E496 WeakPolarHBondContact O-CB 3.28Å; R492-E496 PolarHBondContact O-N 3.04Å
493	S	47.2	Very low	53	Low	54 Å²	54	119.1 Å²	119.1	38%	0.378	58%	0.576	S	S	.	*	H	α-helix	trans	-60	-36.2	175.3	-174.5	0	0	0	0	113.2	A489 N497	A489-S493 WeakPolarHBondContact O-CB 3.37Å; A489-S493 PolarHBondContact O-N 2.92Å; S493-N497 WeakPolarHBondContact O-CB 3.47Å; S493-N497 PolarHBondContact O-N 3.16Å; S493-N497 PolarHBondContact O-ND2 3.35Å; S493-N497 PolarHBondContact OG-ND2 3.03Å
494	M	48.9	Very low	54.7	Low	134 Å²	134	121 Å²	121	66%	0.66	58%	0.582	S	S	*	*	H	α-helix	trans	-73.3	-27.6	174.4	-76.7	-70.2	-149.8	0	0	114	Q490 S491 R492	Q490-M494 WeakPolarHBondContact O-CB 3.31Å; Q490-M494 VanDerWaalsContact O-CG 3.27Å; Q490-M494 WeakPolarHBondContact O-CG 3.25Å; Q490-M494 PolarHBondContact O-N 3.24Å; S491-M494 PolarHBondContact O-N 3.13Å; R492-M494 VanDerWaalsContact C-N 3.3Å; R492-M494 PolarHBondContact O-N 2.97Å
495	Y	47.6	Very low	56.4	Low	207 Å²	207	118.8 Å²	118.8	81%	0.812	56%	0.563	S	S	*	*	H	α-helix	trans	-76.9	-39.2	172.3	-106.2	-90.5	0	0	0	111.9	S491 R492	S491-Y495 PolarHBondContact O-N 3.45Å; R492-Y495 PolarHBondContact O-N 3.37Å; R492-Y495 VanDerWaalsContact O-N 3.08Å
496	E	42.3	Very low	58.1	Low	147 Å²	147	116 Å²	116	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-78.2	-24.7	-173	-164.1	158.6	-150.6	0	0	112.9	R492	R492-E496 VanDerWaalsContact O-CB 3.26Å; R492-E496 WeakPolarHBondContact O-CB 3.28Å; R492-E496 PolarHBondContact O-N 3.04Å
497	N	33.6	Very low	60.1	Low	124 Å²	124	109 Å²	109	66%	0.663	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	11.8	177.9	-73.8	-71.7	0	0	0	115.2	S493 L499	S493-N497 WeakPolarHBondContact O-CB 3.47Å; S493-N497 PolarHBondContact O-N 3.16Å; S493-N497 PolarHBondContact O-ND2 3.35Å; S493-N497 PolarHBondContact OG-ND2 3.03Å; N497-L499 PolarHBondContact O-N 3.1Å
498	R	42	Very low	61.7	Low	214 Å²	214	108.8 Å²	108.8	81%	0.808	52%	0.52	S	S	*	.	S	Bend	trans	-85	105	162.2	-75.1	-167.5	179	-164	0.6	109.2
499	L	40.4	Very low	63.1	Low	164 Å²	164	102.3 Å²	102.3	86%	0.859	50%	0.496	S	S	*	.			trans	-51.5	148.7	174.8	-80.5	166.3	0	0	0	111.8	N497	N497-L499 PolarHBondContact O-N 3.1Å
500	P	50.2	Low	64.7	Low	92 Å²	92	108.4 Å²	108.4	60%	0.597	51%	0.509	S	S	*	.			trans	-70.2	144	-147.4	25.1	-35.8	0	0	0	114.3	Y502	P500-Y502 PolarHBondContact O-N 2.83Å
501	D	58.3	Low	66.8	Low	90 Å²	90	108.5 Å²	108.5	48%	0.481	50%	0.504	S	S	.	.	S	Bend	trans	-56.2	-4.8	166.5	-94.4	8.9	0	0	0	113.9	K589 V590	D501-K589 HydrophobicContact CB-CG 4.41Å; D501-K589 CarbonylContact O-C 3.44Å; D501-K589 VanDerWaalsContact O-CA 3.29Å; D501-K589 WeakPolarHBondContact O-CA 3.45Å; D501-K589 WeakPolarHBondContact O-CG 3.39Å; D501-K589 WeakPolarHBondContact OD2-CE 3.43Å; D501-K589 IonicContact OD2-NZ 3.33Å; D501-K589 PolarHBondContact OD2-NZ 2.92Å; D501-V590 PolarHBondContact O-N 3.33Å
502	Y	68.3	Low	68.4	Low	100 Å²	100	109 Å²	109	39%	0.392	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.4	-171.9	-58	-86.1	0	0	0	111.7	P500 R587 R588 K589	P500-Y502 PolarHBondContact O-N 2.83Å; Y502-R587 HydrophobicContact CD1-CG 4.32Å; Y502-R588 WeakPolarHBondContact CA-O 3.25Å; Y502-K589 HydrophobicContact CD1-CB 3.96Å; Y502-K589 HydrophobicContact CD1-CG 4.45Å; Y502-K589 HydrophobicContact CE1-CB 3.83Å; Y502-K589 HydrophobicContact CE1-CD 4.26Å; Y502-K589 HydrophobicContact CE1-CG 4.18Å
503	Q	79.9	Confident	69.7	Low	107 Å²	107	112.1 Å²	112.1	50%	0.5	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.6	167	172	171.2	62.3	0	0	108.7	R587 R588 V590	Q503-R587 WeakPolarHBondContact O-CA 3.41Å; Q503-R588 PolarHBondContact N-O 2.96Å; Q503-R588 PolarHBondContact O-N 2.86Å; Q503-V590 HydrophobicContact CB-CG2 3.38Å
504	E	88.4	Confident	71.3	Confident	117 Å²	117	114.4 Å²	114.4	55%	0.547	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	145.6	169	-56.4	-161.9	148.3	0	0	110.5	V586 R587	E504-V586 CarbonylContact C-O 3.57Å; E504-V586 VanDerWaalsContact CA-O 3.3Å; E504-V586 WeakPolarHBondContact CA-O 3.23Å; E504-R587 HydrophobicContact CG-CB 3.97Å
505	Q	89.4	Confident	73.2	Confident	56 Å²	56	108.8 Å²	108.8	26%	0.262	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	120.5	-174.2	179.8	152.8	70.7	0	0	110.2	I507 V586	Q505-I507 HydrophobicContact CG-CD1 4.17Å; Q505-I507 HydrophobicContact CG-CG1 3.89Å; Q505-V586 HydrophobicContact CB-CG2 4.44Å; Q505-V586 PolarHBondContact N-O 2.84Å; Q505-V586 PolarHBondContact O-N 2.84Å
506	D	92.4	Very high	75.4	Confident	90 Å²	90	99.7 Å²	99.7	48%	0.481	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.1	172.7	-71.4	-44.5	0	0	0	111.4	R546 L584 T585	D506-R546 PolarHBondContact O-NH1 3.38Å; D506-R546 VanDerWaalsContact O-NH1 3.15Å; D506-L584 CarbonylContact C-O 3.58Å; D506-L584 WeakPolarHBondContact CA-O 3.35Å; D506-T585 WeakPolarHBondContact OD1-CA 3.28Å; D506-T585 VanDerWaalsContact OD1-CB 3.31Å; D506-T585 WeakPolarHBondContact OD1-CB 3.45Å; D506-T585 WeakPolarHBondContact OD1-CG2 3.35Å; D506-T585 PolarHBondContact OD1-OG1 2.86Å
507	I	94.4	Very high	77.8	Confident	0 Å²	0	93 Å²	93	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	105.5	-171.8	-55.3	173.5	0	0	0	109	Q505 L509 R546 L547 L584 V586	Q505-I507 HydrophobicContact CG-CD1 4.17Å; Q505-I507 HydrophobicContact CG-CG1 3.89Å; I507-L509 HydrophobicContact CG2-CD2 3.84Å; I507-L509 HydrophobicContact CG2-CG 4.01Å; I507-R546 HydrophobicContact CD1-CB 4.02Å; I507-R546 HydrophobicContact CG1-CB 4.06Å; I507-R546 HydrophobicContact CG2-CB 4.35Å; I507-L547 HydrophobicContact CD1-CB 4.02Å; I507-L547 HydrophobicContact CD1-CD1 3.58Å; I507-L547 HydrophobicContact CD1-CG 4.43Å; I507-L547 HydrophobicContact CG2-CB 4.4Å; I507-L584 PolarHBondContact N-O 3.17Å; I507-L584 PolarHBondContact O-N 3.05Å; I507-V586 HydrophobicContact CD1-CG2 3.63Å
508	F	94.4	Very high	80.6	Confident	76 Å²	76	88.4 Å²	88.4	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	176.3	-170	-87.2	0	0	0	110.8	W510 R546 H581 V582 N583	F508-W510 HydrophobicContact CE1-CD2 4.13Å; F508-W510 AromaticContact CE1-CE2 3.67Å; F508-W510 HydrophobicContact CE1-CG 4.44Å; F508-W510 AromaticContact CE1-CZ2 3.94Å; F508-W510 HydrophobicContact CE1-CZ2 3.94Å; F508-W510 AromaticContact CE1-NE1 3.69Å; F508-W510 HydrophobicContact CZ-CZ2 4.41Å; F508-R546 PolarHBondContact O-NH2 3.4Å; F508-H581 HydrophobicContact CE1-CB 3.82Å; F508-H581 HydrophobicContact CE2-CB 4.13Å; F508-H581 HydrophobicContact CZ-CB 3.43Å; F508-H581 VanDerWaalsContact CZ-CB 3.43Å; F508-H581 AromaticContact CZ-CD2 3.9Å; F508-H581 AromaticContact CZ-CG 3.49Å; F508-H581 VanDerWaalsContact CZ-CG 3.49Å; F508-V582 CarbonylContact C-O 3.58Å; F508-V582 WeakPolarHBondContact CA-O 3.15Å; F508-N583 HydrophobicContact CD2-CB 4.03Å
509	L	94.1	Very high	83	Confident	2 Å²	2	86.4 Å²	86.4	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.4	-177.6	-60.2	178.5	0	0	0	111.5	I507 F516 F518 A541 D544 L547 H581 V582 L584	I507-L509 HydrophobicContact CG2-CD2 3.84Å; I507-L509 HydrophobicContact CG2-CG 4.01Å; L509-F516 HydrophobicContact CB-CD1 4.24Å; L509-F516 WeakPolarHBondContact O-CE1 3.46Å; L509-F518 HydrophobicContact CD1-CD1 4.17Å; L509-F518 HydrophobicContact CD1-CE1 3.87Å; L509-A541 HydrophobicContact CD1-CB 3.89Å; L509-D544 HydrophobicContact CD2-CB 3.45Å; L509-D544 VanDerWaalsContact CD2-CB 3.45Å; L509-L547 HydrophobicContact CD1-CD2 4.3Å; L509-H581 CarbonylContact O-C 3.46Å; L509-H581 WeakPolarHBondContact O-CA 3.49Å; L509-V582 HydrophobicContact CB-CG1 4.06Å; L509-V582 PolarHBondContact N-O 3.25Å; L509-V582 PolarHBondContact O-N 2.9Å; L509-L584 HydrophobicContact CD1-CD1 3.94Å
510	W	92.8	Very high	85.5	Confident	177 Å²	177	79.7 Å²	79.7	67%	0.67	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.4	167.8	-71	99.3	0	0	0	110.9	F508 K512 A540 H581	F508-W510 HydrophobicContact CE1-CD2 4.13Å; F508-W510 AromaticContact CE1-CE2 3.67Å; F508-W510 HydrophobicContact CE1-CG 4.44Å; F508-W510 AromaticContact CE1-CZ2 3.94Å; F508-W510 HydrophobicContact CE1-CZ2 3.94Å; F508-W510 AromaticContact CE1-NE1 3.69Å; F508-W510 HydrophobicContact CZ-CZ2 4.41Å; W510-K512 PolarHBondContact O-N 2.91Å; W510-A540 WeakPolarHBondContact O-CB 3.47Å; W510-H581 HydrophobicContact CD2-CB 4.42Å; W510-H581 HydrophobicContact CE3-CB 3.98Å; W510-H581 HydrophobicContact CZ3-CB 4.2Å; W510-H581 AromaticContact CZ3-CD2 3.94Å
511	R	91.4	Very high	87.3	Confident	127 Å²	127	79.3 Å²	79.3	48%	0.479	37%	0.366	S	S	.	.			trans	-69.4	125.4	176.6	-179.7	174.7	172.6	-166.8	-3.3	110.3	F516 A577 G580	R511-F516 HydrophobicContact CB-CD1 4.12Å; R511-F516 HydrophobicContact CB-CE1 3.63Å; R511-F516 HydrophobicContact CB-CZ 4.13Å; R511-F516 HydrophobicContact CG-CE1 4.46Å; R511-A577 WeakPolarHBondContact CD-O 3.47Å; R511-A577 PolarHBondContact NH1-O 3.47Å; R511-G580 VanDerWaalsContact CB-O 3.29Å; R511-G580 WeakPolarHBondContact CB-O 3.44Å; R511-G580 PolarHBondContact N-O 3.46Å
512	K	88.3	Confident	88.6	Confident	73 Å²	73	76.3 Å²	76.3	32%	0.317	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-90.3	174.6	166.5	-67.6	-179.5	-179	171.7	0	110.8	W510 T514 G515 L538 G539 A540 T543	W510-K512 PolarHBondContact O-N 2.91Å; K512-T514 PolarHBondContact O-N 3.44Å; K512-G515 PolarHBondContact N-O 2.8Å; K512-G515 WeakPolarHBondContact O-CA 3.43Å; K512-G515 PolarHBondContact O-N 3.4Å; K512-L538 PolarHBondContact NZ-O 2.71Å; K512-G539 PolarHBondContact NZ-O 2.68Å; K512-A540 HydrophobicContact CD-CB 4.24Å; K512-A540 HydrophobicContact CG-CB 4.13Å; K512-T543 WeakPolarHBondContact CE-OG1 3.47Å; K512-T543 PolarHBondContact NZ-OG1 3Å
513	E	79.4	Confident	89	Confident	203 Å²	203	71.6 Å²	71.6	95%	0.949	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.9	170	-60.8	-178.7	167.9	0	0	111.8	G515	E513-G515 PolarHBondContact O-N 2.95Å
514	T	80.3	Confident	88.7	Confident	102 Å²	102	73 Å²	73	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	9	174.5	53	0	0	0	0	114.7	K512	K512-T514 PolarHBondContact O-N 3.44Å
515	G	89.8	Confident	87.9	Confident	17 Å²	17	74 Å²	74	18%	0.175	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	84.3	-150.7	-176.2	0	0	0	0	0	113.3	K512 E513	K512-G515 PolarHBondContact N-O 2.8Å; K512-G515 WeakPolarHBondContact O-CA 3.43Å; K512-G515 PolarHBondContact O-N 3.4Å; E513-G515 PolarHBondContact O-N 2.95Å
516	F	93.8	Very high	86.8	Confident	16 Å²	16	76.6 Å²	76.6	7%	0.07	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.9	175.9	-61.5	-61	0	0	0	113.6	L509 R511 F518 A540 A541 M573 A576 A577 V582	L509-F516 HydrophobicContact CB-CD1 4.24Å; L509-F516 WeakPolarHBondContact O-CE1 3.46Å; R511-F516 HydrophobicContact CB-CD1 4.12Å; R511-F516 HydrophobicContact CB-CE1 3.63Å; R511-F516 HydrophobicContact CB-CZ 4.13Å; R511-F516 HydrophobicContact CG-CE1 4.46Å; F516-F518 HydrophobicContact CB-CD1 3.97Å; F516-F518 HydrophobicContact CB-CE1 3.72Å; F516-A540 WeakPolarHBondContact O-CB 3.25Å; F516-A540 PolarHBondContact O-N 2.76Å; F516-A541 PolarHBondContact O-N 3.42Å; F516-M573 HydrophobicContact CD2-CE 3.6Å; F516-M573 HydrophobicContact CE2-CE 4.1Å; F516-M573 HydrophobicContact CG-CE 4.4Å; F516-A576 HydrophobicContact CE2-CB 4.26Å; F516-A576 HydrophobicContact CZ-CB 4.24Å; F516-A577 HydrophobicContact CE2-CB 3.82Å; F516-A577 HydrophobicContact CZ-CB 4.39Å; F516-V582 HydrophobicContact CD1-CG1 3.75Å; F516-V582 HydrophobicContact CD2-CG1 4.15Å; F516-V582 HydrophobicContact CE1-CB 4.03Å; F516-V582 HydrophobicContact CE1-CG1 3.66Å; F516-V582 HydrophobicContact CE2-CB 4.12Å; F516-V582 HydrophobicContact CE2-CG1 4.04Å; F516-V582 HydrophobicContact CG-CG1 4Å; F516-V582 HydrophobicContact CZ-CB 3.76Å; F516-V582 HydrophobicContact CZ-CG1 3.8Å
517	G	91.3	Very high	85.7	Confident	6 Å²	6	74.9 Å²	74.9	6%	0.062	38%	0.379	C	S	.	.	S	Bend	trans	72.8	31.5	172	0	0	0	0	0	115.6	V536	G517-V536 PolarHBondContact O-N 3.3Å
518	F	94.1	Very high	85.1	Confident	28 Å²	28	78 Å²	78	12%	0.123	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.6	168.3	68.1	-86.7	0	0	0	111.4	L509 F516 I520 I532 H534 I535 A541 L547 M573 L584	L509-F518 HydrophobicContact CD1-CD1 4.17Å; L509-F518 HydrophobicContact CD1-CE1 3.87Å; F516-F518 HydrophobicContact CB-CD1 3.97Å; F516-F518 HydrophobicContact CB-CE1 3.72Å; F518-I520 HydrophobicContact CD2-CG1 4.15Å; F518-I520 HydrophobicContact CE2-CD1 4.06Å; F518-I520 HydrophobicContact CE2-CG1 3.72Å; F518-I532 HydrophobicContact CB-CG2 4.32Å; F518-I532 HydrophobicContact CD2-CD1 3.85Å; F518-I532 HydrophobicContact CD2-CG2 4.09Å; F518-I532 HydrophobicContact CE2-CD1 3.6Å; F518-I532 HydrophobicContact CG-CG2 4.47Å; F518-I532 HydrophobicContact CZ-CD1 4.43Å; F518-H534 WeakPolarHBondContact CA-O 3.42Å; F518-I535 HydrophobicContact CB-CG1 4.03Å; F518-A541 HydrophobicContact CB-CB 4.28Å; F518-A541 HydrophobicContact CD1-CB 4.03Å; F518-L547 HydrophobicContact CB-CD2 4.04Å; F518-L547 HydrophobicContact CD1-CD2 3.64Å; F518-L547 HydrophobicContact CD2-CD2 4.13Å; F518-L547 HydrophobicContact CE1-CD2 4.04Å; F518-L547 HydrophobicContact CE2-CD2 4.49Å; F518-L547 HydrophobicContact CG-CD2 3.68Å; F518-L547 HydrophobicContact CZ-CD2 4.44Å; F518-M573 HydrophobicContact CE1-CE 3.91Å; F518-M573 HydrophobicContact CE2-CE 4.17Å; F518-M573 HydrophobicContact CZ-CE 3.36Å; F518-M573 HydrophobicContact CZ-SD 4.21Å; F518-L584 HydrophobicContact CE1-CD1 3.68Å; F518-L584 HydrophobicContact CE2-CD1 4.42Å; F518-L584 HydrophobicContact CZ-CD1 3.46Å; F518-L584 VanDerWaalsContact CZ-CD1 3.46Å; F518-L584 HydrophobicContact CZ-CD2 4.33Å
519	R	92.1	Very high	84.6	Confident	171 Å²	171	77 Å²	77	65%	0.645	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	152.5	171.4	174.3	173.7	-77.8	-161.1	-2.8	110.3	L521 G533 H534	R519-L521 HydrophobicContact CG-CD2 4.13Å; R519-G533 WeakPolarHBondContact O-CA 3.38Å; R519-G533 PolarHBondContact O-N 2.6Å; R519-H534 PolarHBondContact N-O 3.48Å
520	I	92.3	Very high	84.4	Confident	24 Å²	24	77.1 Å²	77.1	12%	0.123	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.7	172.6	-61.9	173.9	0	0	0	109	F518 I530 L553 V569 M573	F518-I520 HydrophobicContact CD2-CG1 4.15Å; F518-I520 HydrophobicContact CE2-CD1 4.06Å; F518-I520 HydrophobicContact CE2-CG1 3.72Å; I520-I530 HydrophobicContact CG2-CG2 3.41Å; I520-I530 VanDerWaalsContact CG2-CG2 3.41Å; I520-L553 HydrophobicContact CD1-CD2 4.36Å; I520-V569 HydrophobicContact CD1-CG1 4.14Å; I520-M573 HydrophobicContact CD1-CG 3.67Å; I520-M573 HydrophobicContact CD1-SD 4.37Å
521	L	88.3	Confident	84.5	Confident	83 Å²	83	73 Å²	73	44%	0.435	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.4	-177.2	-58.5	176	0	0	0	110.5	R519 I530 Y531 G533	R519-L521 HydrophobicContact CG-CD2 4.13Å; L521-I530 CarbonylContact O-C 3.46Å; L521-I530 WeakPolarHBondContact O-CA 3.23Å; L521-Y531 PolarHBondContact N-O 3.21Å; L521-Y531 PolarHBondContact O-N 3.11Å; L521-G533 VanDerWaalsContact CD1-CA 3.44Å
522	G	84.8	Confident	84.6	Confident	28 Å²	28	67 Å²	67	29%	0.289	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.5	178	179.3	0	0	0	0	0	114	H566	G522-H566 PolarHBondContact O-ND1 2.81Å
523	G	78.5	Confident	84.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.344	C	S	.	.			trans	83.7	23.2	-178.4	0	0	0	0	0	114.2	E525 E528 H566	G523-E525 PolarHBondContact O-N 2.65Å; G523-E528 PolarHBondContact N-OE2 2.69Å; G523-H566 VanDerWaalsContact O-CB 3.25Å; G523-H566 WeakPolarHBondContact O-CB 3.33Å; G523-H566 PolarHBondContact O-N 2.88Å
524	N	72.5	Confident	85.2	Confident	137 Å²	137	59.9 Å²	59.9	73%	0.733	33%	0.326	S	S	*	.	S	Bend	trans	-65.9	-31.9	-178.6	-82.3	12.2	0	0	0	111.4	E528	N524-E528 PolarHBondContact N-OE2 3.46Å
525	E	71.6	Confident	85.8	Confident	138 Å²	138	56.1 Å²	56.1	65%	0.645	30%	0.302	S	S	*	.	S	Bend	trans	-116.4	148.8	175.6	-65.3	178.5	172.8	0	0	110.6	G523 G527 E528	G523-E525 PolarHBondContact O-N 2.65Å; E525-G527 PolarHBondContact O-N 2.68Å; E525-G527 VanDerWaalsContact O-N 3.14Å; E525-E528 PolarHBondContact O-N 3.08Å; E525-E528 VanDerWaalsContact O-N 3.07Å
526	P	66.9	Low	85.9	Confident	111 Å²	111	58.3 Å²	58.3	72%	0.721	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	116.9	175.9	-19.8	32.4	0	0	0	110.8
527	G	68.4	Low	85.5	Confident	53 Å²	53	61.7 Å²	61.7	55%	0.546	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.7	-21.2	-174.5	0	0	0	0	0	114.3	E525 G563	E525-G527 PolarHBondContact O-N 2.68Å; E525-G527 VanDerWaalsContact O-N 3.14Å; G527-G563 PolarHBondContact N-O 2.98Å
528	E	82.1	Confident	85.2	Confident	67 Å²	67	68.1 Å²	68.1	31%	0.313	37%	0.368	S	S	.	.			trans	-65.6	137.1	173	-87.7	-158.6	139.5	0	0	111.4	G523 N524 E525	G523-E528 PolarHBondContact N-OE2 2.69Å; N524-E528 PolarHBondContact N-OE2 3.46Å; E525-E528 PolarHBondContact O-N 3.08Å; E525-E528 VanDerWaalsContact O-N 3.07Å
529	P	83.3	Confident	85	Confident	54 Å²	54	66.8 Å²	66.8	35%	0.351	36%	0.362	S	S	.	.			trans	-68.9	146.3	172.1	28.4	-34.1	0	0	0	111.9	Y531 E552	P529-Y531 HydrophobicContact CB-CE2 3.87Å; P529-Y531 HydrophobicContact CG-CE2 3.74Å; P529-Y531 WeakPolarHBondContact CG-OH 3.48Å; P529-E552 HydrophobicContact CB-CG 4.31Å; P529-E552 WeakPolarHBondContact CB-OE1 3.46Å
530	I	91.4	Very high	84.9	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.9	-175.4	-66.1	177.6	0	0	0	109.2	I520 L521 E552 L553 K564 V569	I520-I530 HydrophobicContact CG2-CG2 3.41Å; I520-I530 VanDerWaalsContact CG2-CG2 3.41Å; L521-I530 CarbonylContact O-C 3.46Å; L521-I530 WeakPolarHBondContact O-CA 3.23Å; I530-E552 CarbonylContact O-C 3.55Å; I530-E552 WeakPolarHBondContact O-CG 3.47Å; I530-L553 HydrophobicContact CG2-CB 4.32Å; I530-L553 HydrophobicContact CG2-CD2 4.36Å; I530-L553 PolarHBondContact O-N 2.93Å; I530-K564 WeakPolarHBondContact CD1-O 3.32Å; I530-V569 HydrophobicContact CD1-CB 4.32Å; I530-V569 HydrophobicContact CD1-CG2 3.46Å; I530-V569 VanDerWaalsContact CD1-CG2 3.46Å
531	Y	93.3	Very high	84.9	Confident	91 Å²	91	57.8 Å²	57.8	36%	0.357	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.4	-174.3	-62.3	-80.2	0	0	0	112.9	L521 P529 G533 D551 E552	L521-Y531 PolarHBondContact N-O 3.21Å; L521-Y531 PolarHBondContact O-N 3.11Å; P529-Y531 HydrophobicContact CB-CE2 3.87Å; P529-Y531 HydrophobicContact CG-CE2 3.74Å; P529-Y531 WeakPolarHBondContact CG-OH 3.48Å; Y531-G533 PolarHBondContact O-N 2.91Å; Y531-D551 CarbonylContact C-O 3.49Å; Y531-D551 WeakPolarHBondContact CA-O 3.34Å; Y531-E552 HydrophobicContact CD1-CB 3.71Å; Y531-E552 HydrophobicContact CD1-CG 3.87Å; Y531-E552 HydrophobicContact CE1-CB 3.59Å; Y531-E552 HydrophobicContact CE1-CG 3.58Å
532	I	93.7	Very high	85	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.5	164.3	-53.3	-59	0	0	0	108.2	F518 I535 L547 S549 G550 D551 L553 V586	F518-I532 HydrophobicContact CB-CG2 4.32Å; F518-I532 HydrophobicContact CD2-CD1 3.85Å; F518-I532 HydrophobicContact CD2-CG2 4.09Å; F518-I532 HydrophobicContact CE2-CD1 3.6Å; F518-I532 HydrophobicContact CG-CG2 4.47Å; F518-I532 HydrophobicContact CZ-CD1 4.43Å; I532-I535 HydrophobicContact CG2-CD1 4.48Å; I532-I535 HydrophobicContact CG2-CG1 4.29Å; I532-L547 HydrophobicContact CD1-CD1 4.16Å; I532-L547 HydrophobicContact CD1-CD2 4.35Å; I532-L547 HydrophobicContact CG1-CD1 3.96Å; I532-L547 HydrophobicContact CG1-CD2 4.49Å; I532-L547 HydrophobicContact CG1-CG 4.31Å; I532-L547 HydrophobicContact CG2-CD2 3.85Å; I532-L547 HydrophobicContact CG2-CG 4.01Å; I532-S549 CarbonylContact O-C 3.43Å; I532-S549 WeakPolarHBondContact O-CA 3.39Å; I532-G550 PolarHBondContact O-N 2.8Å; I532-D551 HydrophobicContact CB-CB 4.28Å; I532-D551 HydrophobicContact CG1-CB 3.95Å; I532-D551 PolarHBondContact N-O 3.4Å; I532-L553 HydrophobicContact CD1-CB 4.37Å; I532-V586 HydrophobicContact CG1-CG1 4.35Å
533	G	90.4	Very high	85.2	Confident	4 Å²	4	60.2 Å²	60.2	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-146.5	173.2	0	0	0	0	0	112.5	R519 L521 Y531 I535 S549	R519-G533 WeakPolarHBondContact O-CA 3.38Å; R519-G533 PolarHBondContact O-N 2.6Å; L521-G533 VanDerWaalsContact CD1-CA 3.44Å; Y531-G533 PolarHBondContact O-N 2.91Å; G533-I535 PolarHBondContact O-N 3.04Å; G533-S549 WeakPolarHBondContact O-CB 3.41Å; G533-S549 PolarHBondContact O-OG 2.81Å
534	H	90.6	Very high	85.8	Confident	122 Å²	122	62.7 Å²	62.7	57%	0.565	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	120.8	-179.6	179.9	-79.6	0	0	0	112.9	F518 R519	F518-H534 WeakPolarHBondContact CA-O 3.42Å; R519-H534 PolarHBondContact N-O 3.48Å
535	I	92.1	Very high	86.5	Confident	22 Å²	22	58.2 Å²	58.2	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.8	168	-65.1	-179	0	0	0	109.3	F518 I532 G533 P537 A541 D542 L547	F518-I535 HydrophobicContact CB-CG1 4.03Å; I532-I535 HydrophobicContact CG2-CD1 4.48Å; I532-I535 HydrophobicContact CG2-CG1 4.29Å; G533-I535 PolarHBondContact O-N 3.04Å; I535-P537 WeakPolarHBondContact O-CD 3.41Å; I535-A541 HydrophobicContact CG2-CB 4.06Å; I535-D542 HydrophobicContact CG2-CB 3.81Å; I535-L547 VanDerWaalsContact CD1-C 3.45Å; I535-L547 HydrophobicContact CD1-CB 4.11Å; I535-L547 HydrophobicContact CD1-CD2 4.27Å; I535-L547 HydrophobicContact CD1-CG 4.18Å; I535-L547 WeakPolarHBondContact CD1-O 3.44Å
536	V	91.7	Very high	87.4	Confident	63 Å²	63	56 Å²	56	38%	0.382	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-83.5	119.2	-176.4	-178.7	0	0	0	0	109.5	G517 L538 G539 D542	G517-V536 PolarHBondContact O-N 3.3Å; V536-L538 PolarHBondContact O-N 2.96Å; V536-G539 WeakPolarHBondContact O-CA 3.09Å; V536-G539 PolarHBondContact O-N 3.41Å; V536-D542 WeakPolarHBondContact O-CB 3.29Å
537	P	86.6	Confident	88.6	Confident	88 Å²	88	51 Å²	51	57%	0.571	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	139.1	177.4	-27.9	35.8	0	0	0	112.6	I535 G539	I535-P537 WeakPolarHBondContact O-CD 3.41Å; P537-G539 PolarHBondContact O-N 3.48Å; P537-G539 VanDerWaalsContact O-N 3.07Å
538	L	85.7	Confident	89.7	Confident	141 Å²	141	55.3 Å²	55.3	74%	0.738	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	0.5	-172.4	-48.6	176.5	0	0	0	115.2	K512 V536 D542	K512-L538 PolarHBondContact NZ-O 2.71Å; V536-L538 PolarHBondContact O-N 2.96Å; L538-D542 PolarHBondContact N-OD2 2.8Å
539	G	87.9	Confident	90	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-64.5	179.9	172.2	0	0	0	0	0	113.2	K512 V536 P537 T543	K512-G539 PolarHBondContact NZ-O 2.68Å; V536-G539 WeakPolarHBondContact O-CA 3.09Å; V536-G539 PolarHBondContact O-N 3.41Å; P537-G539 PolarHBondContact O-N 3.48Å; P537-G539 VanDerWaalsContact O-N 3.07Å; G539-T543 PolarHBondContact O-N 3.13Å; G539-T543 PolarHBondContact O-OG1 3.35Å; G539-T543 VanDerWaalsContact O-OG1 3.09Å
540	A	90.4	Very high	90.2	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-50.7	-177.2	0	0	0	0	0	112	W510 K512 F516 D542 T543 D544	W510-A540 WeakPolarHBondContact O-CB 3.47Å; K512-A540 HydrophobicContact CD-CB 4.24Å; K512-A540 HydrophobicContact CG-CB 4.13Å; F516-A540 WeakPolarHBondContact O-CB 3.25Å; F516-A540 PolarHBondContact O-N 2.76Å; A540-D542 VanDerWaalsContact C-N 3.33Å; A540-D542 PolarHBondContact O-N 2.81Å; A540-T543 PolarHBondContact O-N 2.85Å; A540-T543 PolarHBondContact O-OG1 2.82Å; A540-D544 PolarHBondContact O-N 3.18Å; A540-D544 VanDerWaalsContact O-N 3.11Å
541	A	92.4	Very high	90.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-43.1	174.9	0	0	0	0	0	113.3	L509 F516 F518 I535 T543 D544 G545 L547	L509-A541 HydrophobicContact CD1-CB 3.89Å; F516-A541 PolarHBondContact O-N 3.42Å; F518-A541 HydrophobicContact CB-CB 4.28Å; F518-A541 HydrophobicContact CD1-CB 4.03Å; I535-A541 HydrophobicContact CG2-CB 4.06Å; A541-T543 PolarHBondContact O-N 3.37Å; A541-D544 PolarHBondContact O-N 2.96Å; A541-G545 PolarHBondContact O-N 3.36Å; A541-L547 HydrophobicContact CB-CB 4.26Å; A541-L547 HydrophobicContact CB-CD2 3.69Å
542	D	90.6	Very high	90.2	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-43.6	179	-172.2	65.8	0	0	0	112.4	I535 V536 L538 A540 D544 G545	I535-D542 HydrophobicContact CG2-CB 3.81Å; V536-D542 WeakPolarHBondContact O-CB 3.29Å; L538-D542 PolarHBondContact N-OD2 2.8Å; A540-D542 VanDerWaalsContact C-N 3.33Å; A540-D542 PolarHBondContact O-N 2.81Å; D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 PolarHBondContact O-N 3.43Å; D542-G545 PolarHBondContact O-N 2.8Å
543	T	89.9	Confident	90.2	Very high	90 Å²	90	52.1 Å²	52.1	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-77.5	-13.6	177.3	54.2	0	0	0	0	114.9	K512 G539 A540 A541	K512-T543 WeakPolarHBondContact CE-OG1 3.47Å; K512-T543 PolarHBondContact NZ-OG1 3Å; G539-T543 PolarHBondContact O-N 3.13Å; G539-T543 PolarHBondContact O-OG1 3.35Å; G539-T543 VanDerWaalsContact O-OG1 3.09Å; A540-T543 PolarHBondContact O-N 2.85Å; A540-T543 PolarHBondContact O-OG1 2.82Å; A541-T543 PolarHBondContact O-N 3.37Å
544	D	90.8	Very high	90.4	Very high	52 Å²	52	52.4 Å²	52.4	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-84.9	-35.6	169.9	-179.3	90.6	0	0	0	111.3	L509 A540 A541 D542 R546	L509-D544 HydrophobicContact CD2-CB 3.45Å; L509-D544 VanDerWaalsContact CD2-CB 3.45Å; A540-D544 PolarHBondContact O-N 3.18Å; A540-D544 VanDerWaalsContact O-N 3.11Å; A541-D544 PolarHBondContact O-N 2.96Å; D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 PolarHBondContact O-N 3.43Å; D544-R546 PolarHBondContact O-N 2.74Å; D544-R546 IonicContact OD1-CZ 2.79Å; D544-R546 IonicContact OD1-NE 3.48Å; D544-R546 PolarHBondContact OD1-NE 2.9Å; D544-R546 IonicContact OD1-NH2 2.73Å; D544-R546 PolarHBondContact OD1-NH2 2.86Å; D544-R546 VanDerWaalsContact OD2-CB 3.25Å; D544-R546 WeakPolarHBondContact OD2-CB 3.44Å; D544-R546 WeakPolarHBondContact OD2-CG 3.46Å; D544-R546 IonicContact OD2-CZ 2.67Å; D544-R546 PolarHBondContact OD2-N 2.81Å; D544-R546 IonicContact OD2-NE 2.92Å; D544-R546 PolarHBondContact OD2-NE 3.38Å; D544-R546 IonicContact OD2-NH2 2.59Å
545	G	87.6	Confident	90.5	Very high	44 Å²	44	47.5 Å²	47.5	45%	0.454	28%	0.277	S	S	.	.			trans	70.9	-6.8	170.7	0	0	0	0	0	116	A541 D542	A541-G545 PolarHBondContact O-N 3.36Å; D542-G545 PolarHBondContact O-N 2.8Å
546	R	89.1	Confident	90.7	Very high	92 Å²	92	46.5 Å²	46.5	35%	0.347	27%	0.271	S	S	.	.	S	Bend	trans	-78.3	-37.5	175.7	-60.6	177.9	-74.2	170	-11.5	112	D506 I507 F508 D544 R588	D506-R546 PolarHBondContact O-NH1 3.38Å; D506-R546 VanDerWaalsContact O-NH1 3.15Å; I507-R546 HydrophobicContact CD1-CB 4.02Å; I507-R546 HydrophobicContact CG1-CB 4.06Å; I507-R546 HydrophobicContact CG2-CB 4.35Å; F508-R546 PolarHBondContact O-NH2 3.4Å; D544-R546 PolarHBondContact O-N 2.74Å; D544-R546 IonicContact OD1-CZ 2.79Å; D544-R546 IonicContact OD1-NE 3.48Å; D544-R546 PolarHBondContact OD1-NE 2.9Å; D544-R546 IonicContact OD1-NH2 2.73Å; D544-R546 PolarHBondContact OD1-NH2 2.86Å; D544-R546 VanDerWaalsContact OD2-CB 3.25Å; D544-R546 WeakPolarHBondContact OD2-CB 3.44Å; D544-R546 WeakPolarHBondContact OD2-CG 3.46Å; D544-R546 IonicContact OD2-CZ 2.67Å; D544-R546 PolarHBondContact OD2-N 2.81Å; D544-R546 IonicContact OD2-NE 2.92Å; D544-R546 PolarHBondContact OD2-NE 3.38Å; D544-R546 IonicContact OD2-NH2 2.59Å; R546-R588 PolarHBondContact O-NH2 2.92Å
547	L	93.3	Very high	90.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	27%	0.268	C	S	.	.			trans	-73.7	140.8	177.3	-160.2	75.6	0	0	0	110.1	I507 L509 F518 I532 I535 A541 L584 V586	I507-L547 HydrophobicContact CD1-CB 4.02Å; I507-L547 HydrophobicContact CD1-CD1 3.58Å; I507-L547 HydrophobicContact CD1-CG 4.43Å; I507-L547 HydrophobicContact CG2-CB 4.4Å; L509-L547 HydrophobicContact CD1-CD2 4.3Å; F518-L547 HydrophobicContact CB-CD2 4.04Å; F518-L547 HydrophobicContact CD1-CD2 3.64Å; F518-L547 HydrophobicContact CD2-CD2 4.13Å; F518-L547 HydrophobicContact CE1-CD2 4.04Å; F518-L547 HydrophobicContact CE2-CD2 4.49Å; F518-L547 HydrophobicContact CG-CD2 3.68Å; F518-L547 HydrophobicContact CZ-CD2 4.44Å; I532-L547 HydrophobicContact CD1-CD1 4.16Å; I532-L547 HydrophobicContact CD1-CD2 4.35Å; I532-L547 HydrophobicContact CG1-CD1 3.96Å; I532-L547 HydrophobicContact CG1-CD2 4.49Å; I532-L547 HydrophobicContact CG1-CG 4.31Å; I532-L547 HydrophobicContact CG2-CD2 3.85Å; I532-L547 HydrophobicContact CG2-CG 4.01Å; I535-L547 VanDerWaalsContact CD1-C 3.45Å; I535-L547 HydrophobicContact CD1-CB 4.11Å; I535-L547 HydrophobicContact CD1-CD2 4.27Å; I535-L547 HydrophobicContact CD1-CG 4.18Å; I535-L547 WeakPolarHBondContact CD1-O 3.44Å; A541-L547 HydrophobicContact CB-CB 4.26Å; A541-L547 HydrophobicContact CB-CD2 3.69Å; L547-L584 HydrophobicContact CD1-CD1 4.27Å; L547-L584 HydrophobicContact CD2-CD1 4.45Å; L547-V586 HydrophobicContact CD1-CG1 3.89Å; L547-V586 HydrophobicContact CD1-CG2 4.41Å
548	R	90	Very high	90.7	Very high	144 Å²	144	44.8 Å²	44.8	54%	0.543	27%	0.269	S	S	.	.			trans	-136.8	148	178.4	-61.5	-178.8	-170.7	172.5	2.4	111.6	G550 D551	R548-G550 PolarHBondContact O-N 3.17Å; R548-D551 PolarHBondContact N-OD2 3.46Å; R548-D551 WeakPolarHBondContact O-CB 3.44Å; R548-D551 PolarHBondContact O-N 3.39Å; R548-D551 VanDerWaalsContact O-N 3.13Å
549	S	90.2	Very high	91	Very high	76 Å²	76	40.5 Å²	40.5	53%	0.531	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	127.5	167.1	-44.9	0	0	0	0	109.6	I532 G533	I532-S549 CarbonylContact O-C 3.43Å; I532-S549 WeakPolarHBondContact O-CA 3.39Å; G533-S549 WeakPolarHBondContact O-CB 3.41Å; G533-S549 PolarHBondContact O-OG 2.81Å
550	G	86.3	Confident	91.1	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-4.1	-175.3	0	0	0	0	0	115.2	I532 R548	I532-G550 PolarHBondContact O-N 2.8Å; R548-G550 PolarHBondContact O-N 3.17Å
551	D	93	Very high	91.1	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-65.7	142	165	-65.5	-18.9	0	0	0	109.9	Y531 I532 R548 V586 R588	Y531-D551 CarbonylContact C-O 3.49Å; Y531-D551 WeakPolarHBondContact CA-O 3.34Å; I532-D551 HydrophobicContact CB-CB 4.28Å; I532-D551 HydrophobicContact CG1-CB 3.95Å; I532-D551 PolarHBondContact N-O 3.4Å; R548-D551 PolarHBondContact N-OD2 3.46Å; R548-D551 WeakPolarHBondContact O-CB 3.44Å; R548-D551 PolarHBondContact O-N 3.39Å; R548-D551 VanDerWaalsContact O-N 3.13Å; D551-V586 HydrophobicContact CB-CB 4.08Å; D551-V586 HydrophobicContact CB-CG2 4.09Å; D551-R588 IonicContact OD1-CZ 3.41Å; D551-R588 VanDerWaalsContact OD1-CZ 3.27Å; D551-R588 IonicContact OD1-NE 2.75Å; D551-R588 PolarHBondContact OD1-NE 3.32Å; D551-R588 IonicContact OD1-NH2 3.93Å; D551-R588 PolarHBondContact OD1-NH2 3.5Å; D551-R588 IonicContact OD2-CZ 2.72Å; D551-R588 IonicContact OD2-NE 2.65Å; D551-R588 IonicContact OD2-NH2 3.88Å; D551-R588 PolarHBondContact OD2-NH2 3.11Å
552	E	92.6	Very high	90.8	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.065	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.1	176.2	-165.4	-175.6	159.1	0	0	110.3	P529 I530 Y531 V586 R587	P529-E552 HydrophobicContact CB-CG 4.31Å; P529-E552 WeakPolarHBondContact CB-OE1 3.46Å; I530-E552 CarbonylContact O-C 3.55Å; I530-E552 WeakPolarHBondContact O-CG 3.47Å; Y531-E552 HydrophobicContact CD1-CB 3.71Å; Y531-E552 HydrophobicContact CD1-CG 3.87Å; Y531-E552 HydrophobicContact CE1-CB 3.59Å; Y531-E552 HydrophobicContact CE1-CG 3.58Å; E552-V586 CarbonylContact O-C 3.45Å; E552-V586 WeakPolarHBondContact O-CA 3.28Å; E552-V586 WeakPolarHBondContact O-CB 3.41Å; E552-R587 HydrophobicContact CB-CG 3.86Å; E552-R587 VanDerWaalsContact CD-NE 3.32Å; E552-R587 PolarHBondContact N-O 3.21Å; E552-R587 PolarHBondContact O-N 2.85Å; E552-R587 IonicContact OE1-CZ 3.51Å; E552-R587 IonicContact OE1-NE 2.69Å; E552-R587 IonicContact OE1-NH2 2.63Å; E552-R587 PolarHBondContact OE1-NH2 3.21Å; E552-R587 IonicContact OE2-CZ 2.93Å; E552-R587 VanDerWaalsContact OE2-CZ 3.3Å; E552-R587 IonicContact OE2-NE 2.73Å; E552-R587 PolarHBondContact OE2-NE 3.41Å; E552-R587 IonicContact OE2-NH2 3.59Å; E552-R587 PolarHBondContact OE2-NH2 3.29Å
553	L	94.1	Very high	90.2	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.5	-174.2	-177.1	61.1	0	0	0	110.6	I520 I530 I532 C555 V556 V561 V569 L584 V586	I520-L553 HydrophobicContact CD1-CD2 4.36Å; I530-L553 HydrophobicContact CG2-CB 4.32Å; I530-L553 HydrophobicContact CG2-CD2 4.36Å; I530-L553 PolarHBondContact O-N 2.93Å; I532-L553 HydrophobicContact CD1-CB 4.37Å; L553-C555 WeakPolarHBondContact CD1-O 3.48Å; L553-V556 HydrophobicContact CD1-CG2 4.16Å; L553-V556 HydrophobicContact CD2-CG2 3.8Å; L553-V556 HydrophobicContact CG-CG2 4.2Å; L553-V561 HydrophobicContact CB-CG2 4.49Å; L553-V561 HydrophobicContact CD2-CG2 4.34Å; L553-V561 HydrophobicContact CG-CG2 3.88Å; L553-V561 WeakPolarHBondContact O-CG2 3.28Å; L553-V569 HydrophobicContact CD2-CG1 3.79Å; L553-L584 HydrophobicContact CD1-CB 4.13Å; L553-L584 HydrophobicContact CD1-CD2 3.89Å; L553-V586 HydrophobicContact CD1-CG1 3.92Å
554	I	93.9	Very high	89.9	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-43.4	-173.5	-61.3	-53.2	0	0	0	111.7	P560 V561 I562 T585 R587	I554-P560 CarbonylContact O-C 3.56Å; I554-P560 WeakPolarHBondContact O-CA 3.33Å; I554-V561 PolarHBondContact O-N 3.13Å; I554-I562 HydrophobicContact CD1-CD1 3.92Å; I554-I562 HydrophobicContact CD1-CG1 3.85Å; I554-I562 HydrophobicContact CG2-CD1 4.06Å; I554-I562 HydrophobicContact CG2-CG1 4.26Å; I554-T585 WeakPolarHBondContact CA-O 3.24Å; I554-T585 HydrophobicContact CB-CG2 4.38Å; I554-T585 WeakPolarHBondContact CB-O 3.48Å; I554-T585 HydrophobicContact CG2-CG2 4.47Å; I554-T585 PolarHBondContact N-O 2.81Å; I554-R587 HydrophobicContact CD1-CB 4.47Å; I554-R587 HydrophobicContact CD1-CG 3.82Å; I554-R587 HydrophobicContact CG1-CB 3.99Å; I554-R587 HydrophobicContact CG1-CG 3.86Å
555	C	93.1	Very high	89.7	Confident	20 Å²	20	45.5 Å²	45.5	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.4	175.3	-59.9	0	0	0	0	112.4	L553 T559 L584 T585	L553-C555 WeakPolarHBondContact CD1-O 3.48Å; C555-T559 CarbonylContact C-O 3.54Å; C555-T559 VanDerWaalsContact CA-O 3.22Å; C555-T559 WeakPolarHBondContact CA-O 3.32Å; C555-L584 WeakPolarHBondContact O-CA 3.29Å; C555-T585 PolarHBondContact N-O 3.32Å; C555-T585 VanDerWaalsContact N-O 3.08Å; C555-T585 PolarHBondContact O-N 3.15Å
556	V	95.6	Very high	89.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.5	166.8	-178.4	0	0	0	0	108.3	L553 G558 T559 V561 V569 L572 M573 V582 L584	L553-V556 HydrophobicContact CD1-CG2 4.16Å; L553-V556 HydrophobicContact CD2-CG2 3.8Å; L553-V556 HydrophobicContact CG-CG2 4.2Å; V556-G558 PolarHBondContact O-N 3.09Å; V556-T559 PolarHBondContact N-O 3.31Å; V556-T559 VanDerWaalsContact O-CB 3.29Å; V556-T559 WeakPolarHBondContact O-CB 3.25Å; V556-T559 PolarHBondContact O-N 2.96Å; V556-V561 HydrophobicContact CB-CG1 4.39Å; V556-V561 HydrophobicContact CG2-CG1 4.04Å; V556-V569 HydrophobicContact CG2-CG1 4.22Å; V556-L572 HydrophobicContact CB-CB 4.22Å; V556-L572 HydrophobicContact CB-CD1 4.41Å; V556-L572 HydrophobicContact CG1-CB 3.93Å; V556-M573 HydrophobicContact CG1-CG 4.41Å; V556-M573 HydrophobicContact CG1-SD 3.87Å; V556-M573 HydrophobicContact CG2-SD 4.28Å; V556-V582 HydrophobicContact CG1-CG2 3.79Å; V556-L584 HydrophobicContact CG1-CD2 4.37Å; V556-L584 HydrophobicContact CG2-CD2 4.08Å
557	D	92	Very high	89.6	Confident	58 Å²	58	48.8 Å²	48.8	31%	0.31	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	45.1	-174.9	-64.4	-45.8	0	0	0	113.1	T559 A576 N583	D557-T559 PolarHBondContact O-N 3.23Å; D557-A576 WeakPolarHBondContact OD2-CB 3.41Å; D557-N583 PolarHBondContact N-O 3.48Å; D557-N583 PolarHBondContact OD1-N 3.46Å
558	G	86.9	Confident	89.4	Confident	58 Å²	58	51.7 Å²	51.7	60%	0.598	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-5.1	-178.2	0	0	0	0	0	115.3	V556 P560	V556-G558 PolarHBondContact O-N 3.09Å; G558-P560 WeakPolarHBondContact O-CD 3.38Å
559	T	91.2	Very high	89.5	Confident	51 Å²	51	44.9 Å²	44.9	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.7	171.7	-59.1	0	0	0	0	109.3	C555 V556 D557 L572	C555-T559 CarbonylContact C-O 3.54Å; C555-T559 VanDerWaalsContact CA-O 3.22Å; C555-T559 WeakPolarHBondContact CA-O 3.32Å; V556-T559 PolarHBondContact N-O 3.31Å; V556-T559 VanDerWaalsContact O-CB 3.29Å; V556-T559 WeakPolarHBondContact O-CB 3.25Å; V556-T559 PolarHBondContact O-N 2.96Å; D557-T559 PolarHBondContact O-N 3.23Å; T559-L572 HydrophobicContact CG2-CD1 3.83Å; T559-L572 HydrophobicContact CG2-CD2 4.36Å
560	P	90.4	Very high	89.6	Confident	70 Å²	70	44.1 Å²	44.1	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.8	175.7	26.7	-33.9	0	0	0	110.2	I554 G558 K564	I554-P560 CarbonylContact O-C 3.56Å; I554-P560 WeakPolarHBondContact O-CA 3.33Å; G558-P560 WeakPolarHBondContact O-CD 3.38Å; P560-K564 VanDerWaalsContact O-CD 3.31Å; P560-K564 WeakPolarHBondContact O-CD 3.33Å; P560-K564 WeakPolarHBondContact O-CE 3.17Å; P560-K564 PolarHBondContact O-NZ 3.19Å
561	V	89.9	Confident	89.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	27%	0.274	C	S	.	.			trans	-117.4	-4.6	-178.9	-60.1	0	0	0	0	114.3	L553 I554 V556 G563 K564 V569 L572	L553-V561 HydrophobicContact CB-CG2 4.49Å; L553-V561 HydrophobicContact CD2-CG2 4.34Å; L553-V561 HydrophobicContact CG-CG2 3.88Å; L553-V561 WeakPolarHBondContact O-CG2 3.28Å; I554-V561 PolarHBondContact O-N 3.13Å; V556-V561 HydrophobicContact CB-CG1 4.39Å; V556-V561 HydrophobicContact CG2-CG1 4.04Å; V561-G563 PolarHBondContact O-N 3.03Å; V561-K564 PolarHBondContact O-N 3.38Å; V561-K564 VanDerWaalsContact O-N 3.08Å; V561-V569 HydrophobicContact CB-CG2 3.65Å; V561-V569 HydrophobicContact CG1-CG1 4.47Å; V561-V569 HydrophobicContact CG1-CG2 3.76Å; V561-V569 HydrophobicContact CG2-CG2 4.3Å; V561-L572 HydrophobicContact CG1-CD1 3.82Å
562	I	85.9	Confident	89.9	Confident	102 Å²	102	49.3 Å²	49.3	52%	0.523	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	128.8	168.4	-50.9	178.5	0	0	0	109.4	I554 K564	I554-I562 HydrophobicContact CD1-CD1 3.92Å; I554-I562 HydrophobicContact CD1-CG1 3.85Å; I554-I562 HydrophobicContact CG2-CD1 4.06Å; I554-I562 HydrophobicContact CG2-CG1 4.26Å; I562-K564 PolarHBondContact O-N 3.38Å
563	G	78.7	Confident	90	Very high	34 Å²	34	49.7 Å²	49.7	35%	0.351	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-1.3	177.1	0	0	0	0	0	115.8	G527 V561	G527-G563 PolarHBondContact N-O 2.98Å; V561-G563 PolarHBondContact O-N 3.03Å
564	K	84.6	Confident	90	Very high	69 Å²	69	55.3 Å²	55.3	30%	0.3	31%	0.31	S	S	.	.	S	Bend	trans	-91	151.1	176.5	-63.7	-175.7	-177	167.4	0	110.7	I530 P560 V561 I562 L568	I530-K564 WeakPolarHBondContact CD1-O 3.32Å; P560-K564 VanDerWaalsContact O-CD 3.31Å; P560-K564 WeakPolarHBondContact O-CD 3.33Å; P560-K564 WeakPolarHBondContact O-CE 3.17Å; P560-K564 PolarHBondContact O-NZ 3.19Å; V561-K564 PolarHBondContact O-N 3.38Å; V561-K564 VanDerWaalsContact O-N 3.08Å; I562-K564 PolarHBondContact O-N 3.38Å; K564-L568 HydrophobicContact CB-CD2 4.32Å; K564-L568 HydrophobicContact CD-CD2 3.87Å; K564-L568 HydrophobicContact CG-CD2 4.42Å
565	S	85.5	Confident	89.9	Confident	47 Å²	47	59.2 Å²	59.2	33%	0.329	33%	0.328	S	S	.	.			trans	-66.1	147.9	179.3	64.3	0	0	0	0	112.5	Q567 L568 V569	S565-Q567 PolarHBondContact O-N 3.17Å; S565-Q567 VanDerWaalsContact O-N 3.13Å; S565-L568 PolarHBondContact O-N 2.84Å; S565-V569 PolarHBondContact O-N 3.09Å
566	H	87.8	Confident	89.8	Confident	50 Å²	50	58.2 Å²	58.2	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-50.7	-38.5	177	-174.9	100.1	0	0	0	112.4	G522 G523 L568 V569 V570	G522-H566 PolarHBondContact O-ND1 2.81Å; G523-H566 VanDerWaalsContact O-CB 3.25Å; G523-H566 WeakPolarHBondContact O-CB 3.33Å; G523-H566 PolarHBondContact O-N 2.88Å; H566-L568 VanDerWaalsContact C-N 3.33Å; H566-L568 PolarHBondContact O-N 2.77Å; H566-V569 PolarHBondContact O-N 3.35Å; H566-V569 VanDerWaalsContact O-N 3.17Å; H566-V570 WeakPolarHBondContact NE2-CG2 3.4Å; H566-V570 WeakPolarHBondContact O-CG2 3.04Å; H566-V570 PolarHBondContact O-N 3.35Å
567	Q	87.6	Confident	89.6	Confident	156 Å²	156	58.9 Å²	58.9	73%	0.729	33%	0.327	S	S	*	.	H	α-helix	trans	-60.8	-38.6	179.2	-176.4	166	-47.6	0	0	112.7	S565 V570 Q571	S565-Q567 PolarHBondContact O-N 3.17Å; S565-Q567 VanDerWaalsContact O-N 3.13Å; Q567-V570 PolarHBondContact O-N 2.86Å; Q567-Q571 WeakPolarHBondContact O-CB 3.33Å; Q567-Q571 PolarHBondContact O-N 3.08Å
568	L	88.8	Confident	89.5	Confident	66 Å²	66	63.3 Å²	63.3	35%	0.346	34%	0.343	S	S	.	.	H	α-helix	trans	-70.9	-35.8	176.4	-178.5	51.1	0	0	0	111.5	K564 S565 H566 Q571 L572	K564-L568 HydrophobicContact CB-CD2 4.32Å; K564-L568 HydrophobicContact CD-CD2 3.87Å; K564-L568 HydrophobicContact CG-CD2 4.42Å; S565-L568 PolarHBondContact O-N 2.84Å; H566-L568 VanDerWaalsContact C-N 3.33Å; H566-L568 PolarHBondContact O-N 2.77Å; L568-Q571 PolarHBondContact O-N 2.79Å; L568-L572 WeakPolarHBondContact O-CG 3.5Å; L568-L572 PolarHBondContact O-N 3.42Å
569	V	90.8	Very high	89.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-41.9	173.4	-174.5	0	0	0	0	111.5	I520 I530 L553 V556 V561 S565 H566 Q571 L572 M573	I520-V569 HydrophobicContact CD1-CG1 4.14Å; I530-V569 HydrophobicContact CD1-CB 4.32Å; I530-V569 HydrophobicContact CD1-CG2 3.46Å; I530-V569 VanDerWaalsContact CD1-CG2 3.46Å; L553-V569 HydrophobicContact CD2-CG1 3.79Å; V556-V569 HydrophobicContact CG2-CG1 4.22Å; V561-V569 HydrophobicContact CB-CG2 3.65Å; V561-V569 HydrophobicContact CG1-CG1 4.47Å; V561-V569 HydrophobicContact CG1-CG2 3.76Å; V561-V569 HydrophobicContact CG2-CG2 4.3Å; S565-V569 PolarHBondContact O-N 3.09Å; H566-V569 PolarHBondContact O-N 3.35Å; H566-V569 VanDerWaalsContact O-N 3.17Å; V569-Q571 VanDerWaalsContact C-N 3.3Å; V569-Q571 PolarHBondContact O-N 2.88Å; V569-L572 PolarHBondContact O-N 2.82Å; V569-M573 HydrophobicContact CG1-CG 4.48Å; V569-M573 WeakPolarHBondContact O-CB 3.45Å; V569-M573 VanDerWaalsContact O-CG 3.28Å; V569-M573 WeakPolarHBondContact O-CG 3.42Å; V569-M573 PolarHBondContact O-N 3.16Å
570	V	92.5	Very high	89.6	Confident	61 Å²	61	64.3 Å²	64.3	37%	0.37	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-40.5	172.3	170.7	0	0	0	0	110.9	H566 Q567 M573 Q574	H566-V570 WeakPolarHBondContact NE2-CG2 3.4Å; H566-V570 WeakPolarHBondContact O-CG2 3.04Å; H566-V570 PolarHBondContact O-N 3.35Å; Q567-V570 PolarHBondContact O-N 2.86Å; V570-M573 PolarHBondContact O-N 3.03Å; V570-Q574 VanDerWaalsContact O-CB 3.23Å; V570-Q574 WeakPolarHBondContact O-CB 3.33Å; V570-Q574 PolarHBondContact O-N 3.08Å
571	Q	92.6	Very high	89.6	Confident	131 Å²	131	63.4 Å²	63.4	61%	0.612	32%	0.324	S	S	*	.	H	α-helix	trans	-64.2	-42.5	175.7	-178.9	173.8	-20.4	0	0	112.8	Q567 L568 V569 Q574 Q575	Q567-Q571 WeakPolarHBondContact O-CB 3.33Å; Q567-Q571 PolarHBondContact O-N 3.08Å; L568-Q571 PolarHBondContact O-N 2.79Å; V569-Q571 VanDerWaalsContact C-N 3.3Å; V569-Q571 PolarHBondContact O-N 2.88Å; Q571-Q574 PolarHBondContact O-N 3.1Å; Q571-Q575 WeakPolarHBondContact O-CB 3.37Å; Q571-Q575 PolarHBondContact O-N 2.89Å
572	L	94.2	Very high	89.9	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-47.8	173.9	-70.5	167.1	0	0	0	110.9	V556 T559 V561 L568 V569 Q574 Q575 A576	V556-L572 HydrophobicContact CB-CB 4.22Å; V556-L572 HydrophobicContact CB-CD1 4.41Å; V556-L572 HydrophobicContact CG1-CB 3.93Å; T559-L572 HydrophobicContact CG2-CD1 3.83Å; T559-L572 HydrophobicContact CG2-CD2 4.36Å; V561-L572 HydrophobicContact CG1-CD1 3.82Å; L568-L572 WeakPolarHBondContact O-CG 3.5Å; L568-L572 PolarHBondContact O-N 3.42Å; V569-L572 PolarHBondContact O-N 2.82Å; L572-Q574 VanDerWaalsContact C-N 3.32Å; L572-Q574 PolarHBondContact O-N 3.2Å; L572-Q575 WeakPolarHBondContact O-CA 3.49Å; L572-Q575 WeakPolarHBondContact O-CB 3.27Å; L572-Q575 PolarHBondContact O-N 3.32Å; L572-A576 PolarHBondContact O-N 3.23Å
573	M	94.3	Very high	90.4	Very high	22 Å²	22	60.9 Å²	60.9	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-35.5	176.6	-71.9	-65.5	-56.5	0	0	113.2	F516 F518 I520 V556 V569 V570 Q575 A577 V582 L584	F516-M573 HydrophobicContact CD2-CE 3.6Å; F516-M573 HydrophobicContact CE2-CE 4.1Å; F516-M573 HydrophobicContact CG-CE 4.4Å; F518-M573 HydrophobicContact CE1-CE 3.91Å; F518-M573 HydrophobicContact CE2-CE 4.17Å; F518-M573 HydrophobicContact CZ-CE 3.36Å; F518-M573 HydrophobicContact CZ-SD 4.21Å; I520-M573 HydrophobicContact CD1-CG 3.67Å; I520-M573 HydrophobicContact CD1-SD 4.37Å; V556-M573 HydrophobicContact CG1-CG 4.41Å; V556-M573 HydrophobicContact CG1-SD 3.87Å; V556-M573 HydrophobicContact CG2-SD 4.28Å; V569-M573 HydrophobicContact CG1-CG 4.48Å; V569-M573 WeakPolarHBondContact O-CB 3.45Å; V569-M573 VanDerWaalsContact O-CG 3.28Å; V569-M573 WeakPolarHBondContact O-CG 3.42Å; V569-M573 PolarHBondContact O-N 3.16Å; V570-M573 PolarHBondContact O-N 3.03Å; M573-Q575 VanDerWaalsContact C-N 3.31Å; M573-A577 VanDerWaalsContact O-CB 3.24Å; M573-A577 WeakPolarHBondContact O-CB 3.47Å; M573-A577 PolarHBondContact O-N 3.08Å; M573-V582 HydrophobicContact CE-CG1 4.45Å; M573-V582 HydrophobicContact SD-CG2 3.96Å; M573-L584 HydrophobicContact SD-CD2 3.85Å
574	Q	93.4	Very high	91.2	Very high	120 Å²	120	59.2 Å²	59.2	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-67.5	-32.4	173.6	-168.8	77.8	69	0	0	111.5	V570 Q571 L572 K578	V570-Q574 VanDerWaalsContact O-CB 3.23Å; V570-Q574 WeakPolarHBondContact O-CB 3.33Å; V570-Q574 PolarHBondContact O-N 3.08Å; Q571-Q574 PolarHBondContact O-N 3.1Å; L572-Q574 VanDerWaalsContact C-N 3.32Å; L572-Q574 PolarHBondContact O-N 3.2Å; Q574-K578 WeakPolarHBondContact O-CG 3.36Å; Q574-K578 PolarHBondContact O-N 3.01Å
575	Q	92.3	Very high	91.7	Very high	91 Å²	91	56.9 Å²	56.9	43%	0.425	29%	0.287	S	S	.	.	H	α-helix	trans	-75.2	-46.3	175.5	-175.2	67	-0.4	0	0	111.5	Q571 L572 M573 A577 K578 Q579	Q571-Q575 WeakPolarHBondContact O-CB 3.37Å; Q571-Q575 PolarHBondContact O-N 2.89Å; L572-Q575 WeakPolarHBondContact O-CA 3.49Å; L572-Q575 WeakPolarHBondContact O-CB 3.27Å; L572-Q575 PolarHBondContact O-N 3.32Å; M573-Q575 VanDerWaalsContact C-N 3.31Å; Q575-A577 VanDerWaalsContact C-N 3.26Å; Q575-A577 PolarHBondContact O-N 3.17Å; Q575-K578 WeakPolarHBondContact O-CB 3.13Å; Q575-K578 PolarHBondContact O-N 2.74Å; Q575-Q579 PolarHBondContact O-N 3.17Å
576	A	92.1	Very high	92.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-41.4	171.8	0	0	0	0	0	111.3	F516 D557 L572 K578 Q579 G580 H581 V582	F516-A576 HydrophobicContact CE2-CB 4.26Å; F516-A576 HydrophobicContact CZ-CB 4.24Å; D557-A576 WeakPolarHBondContact OD2-CB 3.41Å; L572-A576 PolarHBondContact O-N 3.23Å; A576-K578 PolarHBondContact O-N 3.16Å; A576-Q579 WeakPolarHBondContact O-CA 3.12Å; A576-Q579 WeakPolarHBondContact O-CB 3.39Å; A576-Q579 PolarHBondContact O-N 2.87Å; A576-G580 PolarHBondContact O-N 2.92Å; A576-H581 CarbonylContact C-O 3.26Å; A576-H581 WeakPolarHBondContact CB-O 3.39Å; A576-V582 HydrophobicContact CB-CB 3.71Å; A576-V582 HydrophobicContact CB-CG2 3.67Å
577	A	90	Very high	92.3	Very high	14 Å²	14	55.5 Å²	55.5	12%	0.116	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-27.6	174.5	0	0	0	0	0	113.6	R511 F516 M573 Q575	R511-A577 WeakPolarHBondContact CD-O 3.47Å; R511-A577 PolarHBondContact NH1-O 3.47Å; F516-A577 HydrophobicContact CE2-CB 3.82Å; F516-A577 HydrophobicContact CZ-CB 4.39Å; M573-A577 VanDerWaalsContact O-CB 3.24Å; M573-A577 WeakPolarHBondContact O-CB 3.47Å; M573-A577 PolarHBondContact O-N 3.08Å; Q575-A577 VanDerWaalsContact C-N 3.26Å; Q575-A577 PolarHBondContact O-N 3.17Å
578	K	90.6	Very high	92.3	Very high	150 Å²	150	49.9 Å²	49.9	65%	0.652	25%	0.245	S	C	*	.	H	α-helix	trans	-76.9	-34.6	171.6	-62.3	171.9	-159.7	160.8	0	112.3	Q574 Q575 A576 G580	Q574-K578 WeakPolarHBondContact O-CG 3.36Å; Q574-K578 PolarHBondContact O-N 3.01Å; Q575-K578 WeakPolarHBondContact O-CB 3.13Å; Q575-K578 PolarHBondContact O-N 2.74Å; A576-K578 PolarHBondContact O-N 3.16Å; K578-G580 PolarHBondContact O-N 2.89Å
579	Q	88.6	Confident	91.7	Very high	108 Å²	108	52 Å²	52	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-68.7	-25.4	174.6	-63.2	-178.1	3	0	0	112	Q575 A576 H581	Q575-Q579 PolarHBondContact O-N 3.17Å; A576-Q579 WeakPolarHBondContact O-CA 3.12Å; A576-Q579 WeakPolarHBondContact O-CB 3.39Å; A576-Q579 PolarHBondContact O-N 2.87Å; Q579-H581 PolarHBondContact OE1-CE1 3.24Å
580	G	90.5	Very high	90.4	Very high	22 Å²	22	54.3 Å²	54.3	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	5.1	177.8	0	0	0	0	0	113.9	R511 A576 K578	R511-G580 VanDerWaalsContact CB-O 3.29Å; R511-G580 WeakPolarHBondContact CB-O 3.44Å; R511-G580 PolarHBondContact N-O 3.46Å; A576-G580 PolarHBondContact O-N 2.92Å; K578-G580 PolarHBondContact O-N 2.89Å
581	H	91.9	Very high	88.3	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	165.6	171.7	57.7	58.3	0	0	0	110.1	F508 L509 W510 A576 Q579	F508-H581 HydrophobicContact CE1-CB 3.82Å; F508-H581 HydrophobicContact CE2-CB 4.13Å; F508-H581 HydrophobicContact CZ-CB 3.43Å; F508-H581 VanDerWaalsContact CZ-CB 3.43Å; F508-H581 AromaticContact CZ-CD2 3.9Å; F508-H581 AromaticContact CZ-CG 3.49Å; F508-H581 VanDerWaalsContact CZ-CG 3.49Å; L509-H581 CarbonylContact O-C 3.46Å; L509-H581 WeakPolarHBondContact O-CA 3.49Å; W510-H581 HydrophobicContact CD2-CB 4.42Å; W510-H581 HydrophobicContact CE3-CB 3.98Å; W510-H581 HydrophobicContact CZ3-CB 4.2Å; W510-H581 AromaticContact CZ3-CD2 3.94Å; A576-H581 CarbonylContact C-O 3.26Å; A576-H581 WeakPolarHBondContact CB-O 3.39Å; Q579-H581 PolarHBondContact OE1-CE1 3.24Å
582	V	96.1	Very high	85.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139.9	168.7	65.3	0	0	0	0	109.8	F508 L509 F516 V556 M573 A576 L584	F508-V582 CarbonylContact C-O 3.58Å; F508-V582 WeakPolarHBondContact CA-O 3.15Å; L509-V582 HydrophobicContact CB-CG1 4.06Å; L509-V582 PolarHBondContact N-O 3.25Å; L509-V582 PolarHBondContact O-N 2.9Å; F516-V582 HydrophobicContact CD1-CG1 3.75Å; F516-V582 HydrophobicContact CD2-CG1 4.15Å; F516-V582 HydrophobicContact CE1-CB 4.03Å; F516-V582 HydrophobicContact CE1-CG1 3.66Å; F516-V582 HydrophobicContact CE2-CB 4.12Å; F516-V582 HydrophobicContact CE2-CG1 4.04Å; F516-V582 HydrophobicContact CG-CG1 4Å; F516-V582 HydrophobicContact CZ-CB 3.76Å; F516-V582 HydrophobicContact CZ-CG1 3.8Å; V556-V582 HydrophobicContact CG1-CG2 3.79Å; M573-V582 HydrophobicContact CE-CG1 4.45Å; M573-V582 HydrophobicContact SD-CG2 3.96Å; A576-V582 HydrophobicContact CB-CB 3.71Å; A576-V582 HydrophobicContact CB-CG2 3.67Å; V582-L584 HydrophobicContact CG1-CD1 4.21Å; V582-L584 HydrophobicContact CG1-CD2 4.25Å; V582-L584 HydrophobicContact CG1-CG 4.06Å; V582-L584 HydrophobicContact CG2-CD2 3.6Å; V582-L584 HydrophobicContact CG2-CG 4.09Å
583	N	95.6	Very high	82.8	Confident	50 Å²	50	62.1 Å²	62.1	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.5	164.2	-167.3	35.2	0	0	0	109.9	F508 D557	F508-N583 HydrophobicContact CD2-CB 4.03Å; D557-N583 PolarHBondContact N-O 3.48Å; D557-N583 PolarHBondContact OD1-N 3.46Å
584	L	96.1	Very high	79.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.6	-177.9	-56	168.7	0	0	0	109.1	D506 I507 L509 F518 L547 L553 C555 V556 M573 V582 V586	D506-L584 CarbonylContact C-O 3.58Å; D506-L584 WeakPolarHBondContact CA-O 3.35Å; I507-L584 PolarHBondContact N-O 3.17Å; I507-L584 PolarHBondContact O-N 3.05Å; L509-L584 HydrophobicContact CD1-CD1 3.94Å; F518-L584 HydrophobicContact CE1-CD1 3.68Å; F518-L584 HydrophobicContact CE2-CD1 4.42Å; F518-L584 HydrophobicContact CZ-CD1 3.46Å; F518-L584 VanDerWaalsContact CZ-CD1 3.46Å; F518-L584 HydrophobicContact CZ-CD2 4.33Å; L547-L584 HydrophobicContact CD1-CD1 4.27Å; L547-L584 HydrophobicContact CD2-CD1 4.45Å; L553-L584 HydrophobicContact CD1-CB 4.13Å; L553-L584 HydrophobicContact CD1-CD2 3.89Å; C555-L584 WeakPolarHBondContact O-CA 3.29Å; V556-L584 HydrophobicContact CG1-CD2 4.37Å; V556-L584 HydrophobicContact CG2-CD2 4.08Å; M573-L584 HydrophobicContact SD-CD2 3.85Å; V582-L584 HydrophobicContact CG1-CD1 4.21Å; V582-L584 HydrophobicContact CG1-CD2 4.25Å; V582-L584 HydrophobicContact CG1-CG 4.06Å; V582-L584 HydrophobicContact CG2-CD2 3.6Å; V582-L584 HydrophobicContact CG2-CG 4.09Å; L584-V586 HydrophobicContact CB-CG1 4.32Å
585	T	94.4	Very high	76.6	Confident	20 Å²	20	66 Å²	66	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.2	164.4	-48.1	0	0	0	0	106.9	D506 I554 C555	D506-T585 WeakPolarHBondContact OD1-CA 3.28Å; D506-T585 VanDerWaalsContact OD1-CB 3.31Å; D506-T585 WeakPolarHBondContact OD1-CB 3.45Å; D506-T585 WeakPolarHBondContact OD1-CG2 3.35Å; D506-T585 PolarHBondContact OD1-OG1 2.86Å; I554-T585 WeakPolarHBondContact CA-O 3.24Å; I554-T585 HydrophobicContact CB-CG2 4.38Å; I554-T585 WeakPolarHBondContact CB-O 3.48Å; I554-T585 HydrophobicContact CG2-CG2 4.47Å; I554-T585 PolarHBondContact N-O 2.81Å; C555-T585 PolarHBondContact N-O 3.32Å; C555-T585 VanDerWaalsContact N-O 3.08Å; C555-T585 PolarHBondContact O-N 3.15Å
586	V	94	Very high	73.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148	176.1	-56.7	0	0	0	0	111	E504 Q505 I507 I532 L547 D551 E552 L553 L584	E504-V586 CarbonylContact C-O 3.57Å; E504-V586 VanDerWaalsContact CA-O 3.3Å; E504-V586 WeakPolarHBondContact CA-O 3.23Å; Q505-V586 HydrophobicContact CB-CG2 4.44Å; Q505-V586 PolarHBondContact N-O 2.84Å; Q505-V586 PolarHBondContact O-N 2.84Å; I507-V586 HydrophobicContact CD1-CG2 3.63Å; I532-V586 HydrophobicContact CG1-CG1 4.35Å; L547-V586 HydrophobicContact CD1-CG1 3.89Å; L547-V586 HydrophobicContact CD1-CG2 4.41Å; D551-V586 HydrophobicContact CB-CB 4.08Å; D551-V586 HydrophobicContact CB-CG2 4.09Å; E552-V586 CarbonylContact O-C 3.45Å; E552-V586 WeakPolarHBondContact O-CA 3.28Å; E552-V586 WeakPolarHBondContact O-CB 3.41Å; L553-V586 HydrophobicContact CD1-CG1 3.92Å; L584-V586 HydrophobicContact CB-CG1 4.32Å
587	R	91.6	Very high	70.6	Confident	67 Å²	67	77.1 Å²	77.1	25%	0.253	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.5	169.5	74.3	177.9	175.6	-153.6	-2.7	111.2	Y502 Q503 E504 E552 I554	Y502-R587 HydrophobicContact CD1-CG 4.32Å; Q503-R587 WeakPolarHBondContact O-CA 3.41Å; E504-R587 HydrophobicContact CG-CB 3.97Å; E552-R587 HydrophobicContact CB-CG 3.86Å; E552-R587 VanDerWaalsContact CD-NE 3.32Å; E552-R587 PolarHBondContact N-O 3.21Å; E552-R587 PolarHBondContact O-N 2.85Å; E552-R587 IonicContact OE1-CZ 3.51Å; E552-R587 IonicContact OE1-NE 2.69Å; E552-R587 IonicContact OE1-NH2 2.63Å; E552-R587 PolarHBondContact OE1-NH2 3.21Å; E552-R587 IonicContact OE2-CZ 2.93Å; E552-R587 VanDerWaalsContact OE2-CZ 3.3Å; E552-R587 IonicContact OE2-NE 2.73Å; E552-R587 PolarHBondContact OE2-NE 3.41Å; E552-R587 IonicContact OE2-NH2 3.59Å; E552-R587 PolarHBondContact OE2-NH2 3.29Å; I554-R587 HydrophobicContact CD1-CB 4.47Å; I554-R587 HydrophobicContact CD1-CG 3.82Å; I554-R587 HydrophobicContact CG1-CB 3.99Å; I554-R587 HydrophobicContact CG1-CG 3.86Å
588	R	87.8	Confident	67.9	Low	39 Å²	39	85.3 Å²	85.3	15%	0.147	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.4	177.8	-178	-176.2	-63.4	131.4	3.6	109.5	Y502 Q503 R546 D551 V590	Y502-R588 WeakPolarHBondContact CA-O 3.25Å; Q503-R588 PolarHBondContact N-O 2.96Å; Q503-R588 PolarHBondContact O-N 2.86Å; R546-R588 PolarHBondContact O-NH2 2.92Å; D551-R588 IonicContact OD1-CZ 3.41Å; D551-R588 VanDerWaalsContact OD1-CZ 3.27Å; D551-R588 IonicContact OD1-NE 2.75Å; D551-R588 PolarHBondContact OD1-NE 3.32Å; D551-R588 IonicContact OD1-NH2 3.93Å; D551-R588 PolarHBondContact OD1-NH2 3.5Å; D551-R588 IonicContact OD2-CZ 2.72Å; D551-R588 IonicContact OD2-NE 2.65Å; D551-R588 IonicContact OD2-NH2 3.88Å; D551-R588 PolarHBondContact OD2-NH2 3.11Å; R588-V590 PolarHBondContact O-N 3.49Å
589	K	76.4	Confident	64.9	Low	111 Å²	111	85.9 Å²	85.9	48%	0.483	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.4	176.2	-170.4	163.4	-177.7	144.4	0	110.5	D501 Y502 V591	D501-K589 HydrophobicContact CB-CG 4.41Å; D501-K589 CarbonylContact O-C 3.44Å; D501-K589 VanDerWaalsContact O-CA 3.29Å; D501-K589 WeakPolarHBondContact O-CA 3.45Å; D501-K589 WeakPolarHBondContact O-CG 3.39Å; D501-K589 WeakPolarHBondContact OD2-CE 3.43Å; D501-K589 IonicContact OD2-NZ 3.33Å; D501-K589 PolarHBondContact OD2-NZ 2.92Å; Y502-K589 HydrophobicContact CD1-CB 3.96Å; Y502-K589 HydrophobicContact CD1-CG 4.45Å; Y502-K589 HydrophobicContact CE1-CB 3.83Å; Y502-K589 HydrophobicContact CE1-CD 4.26Å; Y502-K589 HydrophobicContact CE1-CG 4.18Å; K589-V591 PolarHBondContact O-N 2.92Å
590	V	62.7	Low	62	Low	47 Å²	47	89.6 Å²	89.6	29%	0.285	47%	0.472	S	S	.	.			trans	-88.9	99.8	-179.8	-176.7	0	0	0	0	109.5	D501 Q503 R588 F592	D501-V590 PolarHBondContact O-N 3.33Å; Q503-V590 HydrophobicContact CB-CG2 3.38Å; R588-V590 PolarHBondContact O-N 3.49Å; V590-F592 HydrophobicContact CG1-CD2 3.78Å; V590-F592 HydrophobicContact CG1-CE2 3.69Å; V590-F592 HydrophobicContact CG1-CG 4.44Å; V590-F592 HydrophobicContact CG1-CZ 4.27Å; V590-F592 PolarHBondContact O-N 3.43Å
591	V	48.4	Very low	59.5	Low	125 Å²	125	94.5 Å²	94.5	76%	0.758	50%	0.498	S	S	*	.			trans	-80.2	99.7	167.1	-177.1	0	0	0	0	108.3	K589 A593	K589-V591 PolarHBondContact O-N 2.92Å; V591-A593 PolarHBondContact O-N 3.24Å
592	F	38.7	Very low	56.8	Low	180 Å²	180	98 Å²	98	79%	0.789	53%	0.525	S	S	*	.			trans	-65.8	97.3	167	-83.5	-85.5	0	0	0	109.6	V590 V594	V590-F592 HydrophobicContact CG1-CD2 3.78Å; V590-F592 HydrophobicContact CG1-CE2 3.69Å; V590-F592 HydrophobicContact CG1-CG 4.44Å; V590-F592 HydrophobicContact CG1-CZ 4.27Å; V590-F592 PolarHBondContact O-N 3.43Å; F592-V594 PolarHBondContact O-N 3.42Å
593	A	33.5	Very low	53.3	Low	88 Å²	88	103.1 Å²	103.1	73%	0.727	56%	0.561	S	S	*	*			trans	-66.4	104.1	166.1	0	0	0	0	0	108.5	V591 P595	V591-A593 PolarHBondContact O-N 3.24Å; A593-P595 VanDerWaalsContact O-CD 3.27Å; A593-P595 WeakPolarHBondContact O-CD 3.33Å
594	V	26.6	Very low	50.7	Low	119 Å²	119	106.5 Å²	106.5	72%	0.721	59%	0.586	S	S	*	*			trans	-62.1	117	175	176.3	0	0	0	0	108.7	F592 K596	F592-V594 PolarHBondContact O-N 3.42Å; V594-K596 PolarHBondContact O-N 3.01Å; V594-K596 VanDerWaalsContact O-N 3.08Å
595	P	30.2	Very low	47.2	Very low	104 Å²	104	110.7 Å²	110.7	68%	0.675	62%	0.62	S	S	*	*			trans	-72.2	106.2	172.6	29.6	-31.1	0	0	0	108.2	A593 T597	A593-P595 VanDerWaalsContact O-CD 3.27Å; A593-P595 WeakPolarHBondContact O-CD 3.33Å; P595-T597 PolarHBondContact O-N 3.36Å
596	K	30.6	Very low	43.9	Very low	204 Å²	204	115 Å²	115	89%	0.887	65%	0.651	S	S	*	*			trans	-74	81.4	162.1	-76	-170	175	-173.7	0	108.6	V594	V594-K596 PolarHBondContact O-N 3.01Å; V594-K596 VanDerWaalsContact O-N 3.08Å
597	T	29.3	Very low	40.6	Very low	121 Å²	121	119.5 Å²	119.5	74%	0.742	68%	0.682	S	S	*	*			trans	-87.2	129	160.9	47	0	0	0	0	108.7	P595	P595-T597 PolarHBondContact O-N 3.36Å
598	E	31.8	Very low	37.6	Very low	186 Å²	186	124.4 Å²	124.4	87%	0.869	71%	0.708	S	S	*	*			trans	-62.6	153.3	171.1	-68.9	145.9	110.6	0	0	111
599	N	27.7	Very low	34.7	Very low	162 Å²	162	131.1 Å²	131.1	87%	0.866	74%	0.741	S	S	*	*	S	Bend	trans	-94.8	101.1	170.8	-140.7	47.5	0	0	0	107.5
600	E	28.8	Very low	32.3	Very low	185 Å²	185	131.3 Å²	131.3	86%	0.864	76%	0.756	S	S	*	*			trans	-170.7	157.2	137.5	-86.6	-112.5	97.4	0	0	109.5
601	V	36.3	Very low	30.7	Very low	125 Å²	125	134 Å²	134	76%	0.758	78%	0.776	S	S	*	*			trans	-137.2	129.7	-165.4	172	0	0	0	0	105.8
602	P	36.2	Very low	29.7	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	78%	0.777	S	S	*	*				-150.8	160.8	70.7	41.8	-22.4	0	0	0	119.3
603	S	22.4	Very low	29.1	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	78%	0.779	S	S	*	*			trans	-72.8	176.1	156.6	-67.9	0	0	0	0	111.2
604	P	41.3	Very low	29.6	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	78%	0.779	S	S	*	*			cis	-137.2	174.1	10	43	-26.6	0	0	0	116.3
605	A	21.7	Very low	29.4	Very low	87 Å²	87	134.7 Å²	134.7	72%	0.719	78%	0.781	S	S	*	*				170.7	103.6	119.3	0	0	0	0	0	115.7
606	S	25.1	Very low	29.2	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	78%	0.781	S	S	*	*			trans	69.1	146.3	137.9	78.1	0	0	0	0	124.1
607	S	26.4	Very low	29	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	78%	0.779	S	S	*	*			trans	86.7	119	144.3	77.2	0	0	0	0	121.2
608	H	27.6	Very low	29	Very low	171 Å²	171	131.6 Å²	131.6	79%	0.792	78%	0.775	S	S	*	*				38.4	138.6	120.7	-57.2	-64.9	0	0	0	118.9
609	H	26.8	Very low	28.8	Very low	180 Å²	180	130.5 Å²	130.5	83%	0.833	77%	0.77	S	S	*	*			cis	-175.2	170.9	26.8	40.6	-60.3	0	0	0	110.9
610	S	26.2	Very low	28.8	Very low	115 Å²	115	130 Å²	130	80%	0.804	76%	0.762	S	S	*	*			trans	-90.6	152.5	174	-41.7	0	0	0	0	113.2
611	S	29.7	Very low	28.8	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	76%	0.757	S	S	*	*				169.6	142.8	124.7	-161.1	0	0	0	0	115.4
612	N	25.9	Very low	28.5	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	77%	0.765	S	S	*	*			trans	33.7	125.1	148.4	-62.3	-3.2	0	0	0	124.8
613	Q	26.1	Very low	28.4	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	77%	0.766	S	S	*	*				20	159.4	115.9	-73.9	-162.1	2.7	0	0	122.3
614	P	43.9	Very low	29.5	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	76%	0.761	S	S	*	*			cis	-142.5	-151.6	-33.6	42	-22.2	0	0	0	112.3
615	A	24.1	Very low	28.8	Very low	93 Å²	93	138.4 Å²	138.4	77%	0.769	77%	0.765	S	S	*	*			trans	77.4	153.1	164.7	0	0	0	0	0	117.5
616	S	24.5	Very low	29	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	77%	0.765	S	S	*	*			cis	-175.9	167.4	-16	51.9	0	0	0	0	112.4
617	L	27.8	Very low	29.2	Very low	161 Å²	161	137.6 Å²	137.6	84%	0.843	77%	0.765	S	S	*	*			trans	73.3	166.5	166.5	-53.1	158.6	0	0	0	115.4
618	T	28.4	Very low	29.3	Very low	107 Å²	107	141 Å²	141	66%	0.656	77%	0.771	S	S	*	*			cis	-142.4	157.4	13.5	33.3	0	0	0	0	114.5
619	E	28.1	Very low	29.3	Very low	164 Å²	164	139 Å²	139	77%	0.766	77%	0.766	S	S	*	*			trans	57.2	119	137.8	-64.6	170.3	124.8	0	0	123.2
620	E	26.9	Very low	29.4	Very low	151 Å²	151	135 Å²	135	71%	0.706	76%	0.759	S	S	*	*				77.9	106.1	101.6	-67.6	-105.9	103.1	0	0	115.5
621	K	29	Very low	29.7	Very low	174 Å²	174	136.6 Å²	136.6	76%	0.757	76%	0.757	S	S	*	*				89.9	102.5	56	-179.4	-162.4	-179.9	-174.3	0	114.5
622	R	30.7	Very low	29.7	Very low	245 Å²	245	138.1 Å²	138.1	93%	0.925	76%	0.757	S	S	*	*			trans	-162.1	138.7	152	-114.4	169.6	-171.7	166.2	4	114
623	T	33	Very low	29.9	Very low	133 Å²	133	136.6 Å²	136.6	82%	0.816	75%	0.753	S	S	*	*			trans	-129.4	179.6	160.1	49.4	0	0	0	0	105.6
624	P	46.8	Very low	29.9	Very low	101 Å²	101	134.5 Å²	134.5	66%	0.656	75%	0.752	S	S	*	*			cis	-150.2	-157.1	19.7	43.2	-19.5	0	0	0	116.5
625	Q	26	Very low	29.1	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	75%	0.752	S	S	*	*			trans	85.9	128.2	146.4	-87	176.7	-76.9	0	0	123
626	G	25.8	Very low	29.4	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	76%	0.756	S	S	*	*			trans	94.9	155.5	143.1	0	0	0	0	0	117.7
627	S	28.7	Very low	29.4	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	76%	0.76	S	S	*	*				175	147.6	-52	46.5	0	0	0	0	110.3
628	Q	29.6	Very low	29.5	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	77%	0.765	S	S	*	*			trans	91.8	127.6	160	-60.7	-150.5	-23.5	0	0	121.8
629	N	28.2	Very low	29.4	Very low	130 Å²	130	132 Å²	132	70%	0.695	77%	0.773	S	S	*	*			trans	82	128.2	130.4	-65.9	0.4	0	0	0	124.7
630	S	28.3	Very low	29.5	Very low	97 Å²	97	130 Å²	130	68%	0.678	78%	0.778	S	S	*	*			trans	82.6	103	133.9	-63.6	0	0	0	0	123.2
631	L	33.1	Very low	29.7	Very low	148 Å²	148	128.9 Å²	128.9	78%	0.775	78%	0.781	S	S	*	*				57.1	141.7	119.5	-67.6	172.9	0	0	0	122.9
632	N	29.1	Very low	29.6	Very low	134 Å²	134	125.9 Å²	125.9	72%	0.717	78%	0.783	S	S	*	*			trans	73.7	149.4	151.3	-66	-2.5	0	0	0	117.2
633	T	29.8	Very low	29.4	Very low	113 Å²	113	117.4 Å²	117.4	69%	0.693	77%	0.772	S	S	*	*			cis	-163.6	179.5	-3.3	13.9	0	0	0	0	110.8
634	V	26.8	Very low	29.2	Very low	134 Å²	134	120.1 Å²	120.1	81%	0.812	78%	0.779	S	S	*	*			trans	68.3	165	164.8	-53.9	0	0	0	0	119.4
635	S	27	Very low	28.2	Very low	103 Å²	103	119 Å²	119	72%	0.72	79%	0.785	S	S	*	*				175.7	132.7	-61.1	-92	0	0	0	0	112.3
636	S	29.3	Very low	28.5	Very low	122 Å²	122	116.5 Å²	116.5	85%	0.853	79%	0.789	S	S	*	*			trans	72.4	119.6	142.3	-54.8	0	0	0	0	123.4
637	G	26.2	Very low	28.6	Very low	72 Å²	72	117 Å²	117	74%	0.742	80%	0.795	S	S	*	*			trans	91	163.2	140.3	0	0	0	0	0	118.2
638	S	29.5	Very low	28.6	Very low	136 Å²	136	115.7 Å²	115.7	95%	0.951	80%	0.798	S	S	*	*			cis	-173.3	158.1	-15.7	-99.1	0	0	0	0	109.4
639	G	26.1	Very low	28.6	Very low	81 Å²	81	112 Å²	112	84%	0.835	80%	0.804	S	S	*	*			trans	140	116.5	157.9	0	0	0	0	0	117.2
640	S	29.8	Very low	28.5	Very low	122 Å²	122	109.9 Å²	109.9	85%	0.853	81%	0.813	S	S	*	*			trans	-104	149.2	170	-39.4	0	0	0	0	110.7
641	T	30.1	Very low	28.6	Very low	128 Å²	128	109.2 Å²	109.2	79%	0.785	82%	0.822	S	S	*	*			trans	-165.7	130.2	143.4	163.1	0	0	0	0	113.9
642	S	28	Very low	28.5	Very low	112 Å²	112	108.1 Å²	108.1	78%	0.783	83%	0.826	S	S	*	*			trans	36.6	123.7	139.5	-33.3	0	0	0	0	122.3
643	G	26.6	Very low	28.7	Very low	67 Å²	67	105.2 Å²	105.2	69%	0.691	83%	0.828	S	S	*	*				103	130.7	100.5	0	0	0	0	0	119.9
644	I	27.9	Very low	28.6	Very low	189 Å²	189	106.7 Å²	106.7	97%	0.969	84%	0.837	S	S	*	*			trans	56.6	146.5	155.2	68.3	167.1	0	0	0	120.1
645	G	26.2	Very low	28.9	Very low	77 Å²	77	106.5 Å²	106.5	79%	0.794	84%	0.835	S	S	*	*			trans	147.1	92.6	165.6	0	0	0	0	0	115
646	S	32.1	Very low	28.9	Very low	135 Å²	135	107.1 Å²	107.1	94%	0.944	84%	0.84	S	S	*	*			trans	-74.9	142.6	167.7	-53.5	0	0	0	0	111.2
647	G	28.6	Very low	29.2	Very low	83 Å²	83	106.7 Å²	106.7	86%	0.856	83%	0.832	S	S	*	*			trans	163.3	126.3	170.2	0	0	0	0	0	111.3
648	G	28.4	Very low	30.1	Very low	82 Å²	82	110 Å²	110	85%	0.845	84%	0.838	S	S	*	*			trans	-134.5	166	-176.2	0	0	0	0	0	113.4
649	G	28.8	Very low	31.4	Very low	86 Å²	86	106.4 Å²	106.4	89%	0.887	81%	0.81	S	S	*	*			trans	91.5	150.3	169.1	0	0	0	0	0	115.5
650	G	26.6	Very low	33	Very low	87 Å²	87	110.1 Å²	110.1	90%	0.897	81%	0.805	S	S	*	*			trans	99.3	91.2	176.4	0	0	0	0	0	113.6
651	G	30.6	Very low	35.4	Very low	83 Å²	83	106.6 Å²	106.6	86%	0.856	78%	0.78	S	S	*	*			trans	-92.5	157.8	172	0	0	0	0	0	112.8
652	S	30.3	Very low	38.1	Very low	124 Å²	124	103.9 Å²	103.9	87%	0.867	76%	0.756	S	S	*	*			trans	-148.2	155.2	155.4	-165	0	0	0	0	109.4
653	G	33.3	Very low	40.9	Very low	73 Å²	73	103.2 Å²	103.2	75%	0.753	74%	0.743	S	S	*	*			trans	-78.6	161.3	-171.7	0	0	0	0	0	114.2
654	V	28.6	Very low	43.9	Very low	145 Å²	145	100 Å²	100	88%	0.879	71%	0.71	S	S	*	*			trans	-123.6	141.9	168.5	-165.6	0	0	0	0	108.9
655	V	31.8	Very low	46.9	Very low	129 Å²	129	95.3 Å²	95.3	78%	0.782	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-76.1	124.9	-167.2	178.9	0	0	0	0	112.1
656	S	29	Very low	50	Low	116 Å²	116	91.6 Å²	91.6	81%	0.811	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-72.9	125.2	160.5	-69.2	0	0	0	0	110.2
657	T	35.6	Very low	52.6	Low	114 Å²	114	93.1 Å²	93.1	70%	0.699	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-73.6	150.9	179.3	46.5	0	0	0	0	111.8	V659	T657-V659 PolarHBondContact O-N 3.03Å
658	V	44	Very low	55.5	Low	141 Å²	141	91.9 Å²	91.9	86%	0.855	60%	0.601	S	S	*	*			trans	-76.3	97.8	175.7	179.7	0	0	0	0	109.3	Q660	V658-Q660 PolarHBondContact O-N 3.43Å
659	V	56.8	Low	57.9	Low	61 Å²	61	89.7 Å²	89.7	37%	0.37	58%	0.578	S	S	.	*			trans	-78	113.9	-178.5	-173.3	0	0	0	0	110.8	T657 I755 P756	T657-V659 PolarHBondContact O-N 3.03Å; V659-I755 HydrophobicContact CG1-CG2 4.34Å; V659-P756 HydrophobicContact CG1-CB 3.84Å; V659-P756 VanDerWaalsContact CG1-CD 3.43Å; V659-P756 HydrophobicContact CG1-CG 3.49Å; V659-P756 VanDerWaalsContact CG1-CG 3.49Å
660	Q	58.9	Low	60.2	Low	158 Å²	158	93 Å²	93	74%	0.738	57%	0.571	S	S	*	*			trans	-84.1	142.6	173.4	-68.3	-168.1	3.2	0	0	112	V658	V658-Q660 PolarHBondContact O-N 3.43Å
661	P	81.9	Confident	62.4	Low	49 Å²	49	96.6 Å²	96.6	32%	0.318	57%	0.569	S	S	.	*			trans	-75.7	136	174.4	-8.9	24.1	0	0	0	112.3	L724 R753 I754 I755	P661-L724 HydrophobicContact CB-CD1 3.75Å; P661-L724 HydrophobicContact CG-CD1 3.87Å; P661-R753 HydrophobicContact CB-CG 4.3Å; P661-I754 CarbonylContact C-O 3.45Å; P661-I754 WeakPolarHBondContact CA-O 3.36Å; P661-I754 WeakPolarHBondContact CB-O 3.27Å; P661-I755 HydrophobicContact CB-CG1 4.08Å; P661-I755 HydrophobicContact CG-CG1 4.09Å
662	Y	85.6	Confident	64.9	Low	71 Å²	71	95.5 Å²	95.5	28%	0.278	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.1	-175.4	69.9	-73.5	0	0	0	111.8	V664 K716 D721 I754 P756	Y662-V664 HydrophobicContact CD2-CG2 3.7Å; Y662-V664 HydrophobicContact CE2-CG2 3.26Å; Y662-K716 HydrophobicContact CE2-CB 4.49Å; Y662-K716 PolarHBondContact OH-O 2.88Å; Y662-D721 PolarHBondContact OH-OD2 3.39Å; Y662-I754 HydrophobicContact CD1-CB 4.14Å; Y662-I754 HydrophobicContact CD1-CG2 4.39Å; Y662-I754 WeakPolarHBondContact CD1-O 3.38Å; Y662-I754 HydrophobicContact CE1-CB 3.65Å; Y662-I754 HydrophobicContact CE1-CG2 3.49Å; Y662-I754 VanDerWaalsContact CE1-CG2 3.49Å; Y662-I754 HydrophobicContact CE2-CB 4.44Å; Y662-I754 PolarHBondContact N-O 3.06Å; Y662-I754 PolarHBondContact O-N 2.99Å; Y662-P756 HydrophobicContact CD1-CG 3.99Å; Y662-P756 HydrophobicContact CE1-CG 3.64Å
663	D	87.9	Confident	67.4	Low	97 Å²	97	91.6 Å²	91.6	52%	0.519	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.8	-178.5	-67.3	-31.4	0	0	0	112.2	T751 L752 R753	D663-T751 HydrophobicContact CB-CG2 4.26Å; D663-L752 CarbonylContact C-O 3.58Å; D663-L752 WeakPolarHBondContact CA-O 3.39Å; D663-R753 WeakPolarHBondContact OD1-CA 3.2Å; D663-R753 WeakPolarHBondContact OD1-CB 3.3Å; D663-R753 WeakPolarHBondContact OD1-CD 3.47Å; D663-R753 WeakPolarHBondContact OD1-CG 3.17Å; D663-R753 IonicContact OD1-NE 2.74Å
664	V	90.1	Very high	70	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.1	-177.7	-176.7	0	0	0	0	110	Y662 I666 K716 L717 T751 L752 I754	Y662-V664 HydrophobicContact CD2-CG2 3.7Å; Y662-V664 HydrophobicContact CE2-CG2 3.26Å; V664-I666 HydrophobicContact CG1-CD1 4.41Å; V664-I666 HydrophobicContact CG1-CG1 3.9Å; V664-K716 HydrophobicContact CG1-CB 3.92Å; V664-K716 HydrophobicContact CG1-CD 4.48Å; V664-K716 HydrophobicContact CG2-CB 3.99Å; V664-L717 HydrophobicContact CB-CD1 4.5Å; V664-L717 HydrophobicContact CG1-CD1 4.34Å; V664-L717 HydrophobicContact CG2-CD1 4.46Å; V664-T751 CarbonylContact O-C 3.58Å; V664-T751 WeakPolarHBondContact O-CA 3.46Å; V664-L752 PolarHBondContact N-O 3.03Å; V664-L752 PolarHBondContact O-N 3.05Å; V664-I754 HydrophobicContact CB-CG1 4.43Å; V664-I754 HydrophobicContact CG2-CG1 3.91Å
665	E	90.3	Very high	72.7	Confident	90 Å²	90	82.5 Å²	82.5	42%	0.421	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.3	167.8	-171.1	-172.7	141.3	0	0	110.1	R667 T749 V750	E665-R667 HydrophobicContact CG-CG 4.22Å; E665-R667 WeakPolarHBondContact OE1-CD 3.48Å; E665-R667 VanDerWaalsContact OE1-CG 3.31Å; E665-R667 WeakPolarHBondContact OE1-CG 3.35Å; E665-R667 IonicContact OE1-CZ 3.97Å; E665-R667 IonicContact OE1-NE 3.01Å; E665-R667 IonicContact OE1-NH1 3.37Å; E665-R667 PolarHBondContact OE1-NH1 3.08Å; E665-T749 HydrophobicContact CG-CG2 3.63Å; E665-T749 WeakPolarHBondContact OE1-CG2 2.75Å; E665-V750 WeakPolarHBondContact CA-O 3.28Å
666	I	91.2	Very high	75.4	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.5	175.3	-47.2	179.4	0	0	0	108	V664 F674 F676 P710 A711 L717 T749 V750 L752	V664-I666 HydrophobicContact CG1-CD1 4.41Å; V664-I666 HydrophobicContact CG1-CG1 3.9Å; I666-F674 HydrophobicContact CB-CD1 4.17Å; I666-F674 HydrophobicContact CG2-CD1 3.87Å; I666-F674 VanDerWaalsContact O-CE1 3.32Å; I666-F674 WeakPolarHBondContact O-CE1 3.26Å; I666-F676 HydrophobicContact CD1-CD1 4.12Å; I666-F676 HydrophobicContact CD1-CE1 3.93Å; I666-P710 HydrophobicContact CG2-CB 3.63Å; I666-A711 HydrophobicContact CD1-CB 4.14Å; I666-L717 HydrophobicContact CD1-CD2 3.96Å; I666-T749 WeakPolarHBondContact O-CA 3.25Å; I666-V750 HydrophobicContact CB-CG1 4.07Å; I666-V750 PolarHBondContact N-O 3.26Å; I666-V750 PolarHBondContact O-N 3.44Å; I666-L752 HydrophobicContact CD1-CD1 3.69Å; I666-L752 HydrophobicContact CD1-CG 4.46Å
667	R	87.2	Confident	78	Confident	166 Å²	166	73.1 Å²	73.1	63%	0.626	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.6	-176.2	-56.4	178.1	74.3	103.2	-2.8	110.3	E665 N748 T749	E665-R667 HydrophobicContact CG-CG 4.22Å; E665-R667 WeakPolarHBondContact OE1-CD 3.48Å; E665-R667 VanDerWaalsContact OE1-CG 3.31Å; E665-R667 WeakPolarHBondContact OE1-CG 3.35Å; E665-R667 IonicContact OE1-CZ 3.97Å; E665-R667 IonicContact OE1-NE 3.01Å; E665-R667 IonicContact OE1-NH1 3.37Å; E665-R667 PolarHBondContact OE1-NH1 3.08Å; R667-N748 WeakPolarHBondContact CA-O 3.45Å; R667-T749 HydrophobicContact CG-CG2 3.98Å
668	R	88.4	Confident	80.5	Confident	58 Å²	58	68.6 Å²	68.6	22%	0.219	36%	0.359	C	S	.	.			trans	-119.4	149	-178.6	70.5	-177.6	-177.9	109.2	1.6	111.7	E672 F674 P710 G747 N748	R668-E672 HydrophobicContact CB-CG 3.8Å; R668-E672 WeakPolarHBondContact CD-O 3.35Å; R668-E672 PolarHBondContact NH1-O 3.4Å; R668-F674 HydrophobicContact CB-CD1 3.91Å; R668-F674 HydrophobicContact CB-CE1 3.95Å; R668-F674 HydrophobicContact CG-CD1 3.88Å; R668-F674 HydrophobicContact CG-CE1 3.53Å; R668-F674 HydrophobicContact CG-CE2 4.4Å; R668-F674 HydrophobicContact CG-CG 4.45Å; R668-F674 HydrophobicContact CG-CZ 3.84Å; R668-F674 VanDerWaalsContact NE-CE2 3.31Å; R668-P710 HydrophobicContact CB-CB 4.27Å; R668-P710 HydrophobicContact CB-CG 3.73Å; R668-G747 VanDerWaalsContact CZ-O 3.22Å; R668-G747 PolarHBondContact NE-O 2.97Å; R668-G747 PolarHBondContact NH2-O 3.04Å; R668-N748 PolarHBondContact N-O 3.28Å
669	G	80.2	Confident	82.1	Confident	35 Å²	35	64.3 Å²	64.3	36%	0.361	33%	0.334	S	S	.	.			trans	-67.2	161.2	164.9	0	0	0	0	0	112.3	N671 E672	G669-N671 PolarHBondContact O-N 3.02Å; G669-N671 VanDerWaalsContact O-N 3.09Å; G669-E672 PolarHBondContact N-OE1 2.74Å; G669-E672 PolarHBondContact O-N 3.33Å
670	E	76.6	Confident	82.4	Confident	157 Å²	157	63.1 Å²	63.1	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	-174.1	-67.9	172	173.4	0	0	113.9	N748	E670-N748 WeakPolarHBondContact CG-ND2 3.5Å
671	N	71.3	Confident	82.1	Confident	161 Å²	161	57.4 Å²	57.4	86%	0.861	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	6	-176	-63.7	-48	0	0	0	114.6	G669	G669-N671 PolarHBondContact O-N 3.02Å; G669-N671 VanDerWaalsContact O-N 3.09Å
672	E	83.3	Confident	80.2	Confident	61 Å²	61	61.1 Å²	61.1	29%	0.285	33%	0.327	S	S	.	.	S	Bend	trans	-115.5	159.9	176.2	79.2	-173.7	146	0	0	111.5	R668 G669 P710 R713	R668-E672 HydrophobicContact CB-CG 3.8Å; R668-E672 WeakPolarHBondContact CD-O 3.35Å; R668-E672 PolarHBondContact NH1-O 3.4Å; G669-E672 PolarHBondContact N-OE1 2.74Å; G669-E672 PolarHBondContact O-N 3.33Å; E672-P710 VanDerWaalsContact CD-CG 3.44Å; E672-P710 HydrophobicContact CG-CG 3.86Å; E672-P710 WeakPolarHBondContact OE2-CD 3.26Å; E672-P710 WeakPolarHBondContact OE2-CG 3.5Å; E672-R713 VanDerWaalsContact CD-NH2 3.29Å; E672-R713 IonicContact OE1-CZ 3.3Å; E672-R713 IonicContact OE1-NH2 2.98Å; E672-R713 PolarHBondContact OE1-NH2 2.71Å; E672-R713 IonicContact OE2-CZ 3.21Å; E672-R713 IonicContact OE2-NH1 3.58Å; E672-R713 PolarHBondContact OE2-NH1 3.02Å; E672-R713 IonicContact OE2-NH2 2.8Å; E672-R713 PolarHBondContact OE2-NH2 2.72Å
673	G	83.3	Confident	77.8	Confident	41 Å²	41	61.4 Å²	61.4	42%	0.423	34%	0.339	S	S	.	.			trans	-92.3	161.5	171.2	0	0	0	0	0	111.9	G675 P710	G673-G675 PolarHBondContact O-N 3.38Å; G673-P710 WeakPolarHBondContact O-CD 3.46Å; G673-P710 VanDerWaalsContact O-CG 3.29Å; G673-P710 WeakPolarHBondContact O-CG 3.1Å
674	F	88.5	Confident	75.1	Confident	14 Å²	14	67.2 Å²	67.2	6%	0.061	35%	0.354	C	S	.	.			trans	-64.1	-20.2	179.8	-69.3	-69.6	0	0	0	114.6	I666 R668 F676 A711 I743 G747 V750	I666-F674 HydrophobicContact CB-CD1 4.17Å; I666-F674 HydrophobicContact CG2-CD1 3.87Å; I666-F674 VanDerWaalsContact O-CE1 3.32Å; I666-F674 WeakPolarHBondContact O-CE1 3.26Å; R668-F674 HydrophobicContact CB-CD1 3.91Å; R668-F674 HydrophobicContact CB-CE1 3.95Å; R668-F674 HydrophobicContact CG-CD1 3.88Å; R668-F674 HydrophobicContact CG-CE1 3.53Å; R668-F674 HydrophobicContact CG-CE2 4.4Å; R668-F674 HydrophobicContact CG-CG 4.45Å; R668-F674 HydrophobicContact CG-CZ 3.84Å; R668-F674 VanDerWaalsContact NE-CE2 3.31Å; F674-F676 HydrophobicContact CB-CD1 3.96Å; F674-F676 HydrophobicContact CB-CE1 3.66Å; F674-F676 HydrophobicContact CG-CE1 4.48Å; F674-A711 WeakPolarHBondContact O-CB 3.18Å; F674-A711 PolarHBondContact O-N 3Å; F674-I743 HydrophobicContact CD2-CG2 3.67Å; F674-I743 HydrophobicContact CE2-CG2 4.04Å; F674-I743 WeakPolarHBondContact CE2-O 3.49Å; F674-G747 WeakPolarHBondContact CZ-O 3.42Å; F674-V750 HydrophobicContact CD1-CG1 3.71Å; F674-V750 HydrophobicContact CD2-CG1 4.02Å; F674-V750 HydrophobicContact CE1-CB 4.11Å; F674-V750 HydrophobicContact CE1-CG1 3.59Å; F674-V750 HydrophobicContact CE2-CB 4.07Å; F674-V750 HydrophobicContact CE2-CG1 3.9Å; F674-V750 HydrophobicContact CG-CG1 3.93Å; F674-V750 HydrophobicContact CZ-CB 3.77Å; F674-V750 HydrophobicContact CZ-CG1 3.68Å
675	G	85	Confident	72.5	Confident	13 Å²	13	73 Å²	73	13%	0.134	39%	0.392	C	S	.	.			trans	86.3	19.3	163.7	0	0	0	0	0	117.7	G673 I706 S709	G673-G675 PolarHBondContact O-N 3.38Å; G675-I706 WeakPolarHBondContact O-CB 3.36Å; G675-I706 WeakPolarHBondContact O-CG1 3.37Å; G675-I706 PolarHBondContact O-N 2.71Å; G675-S709 WeakPolarHBondContact CA-OG 3.47Å; G675-S709 PolarHBondContact O-OG 3.34Å
676	F	88.2	Confident	69.7	Low	25 Å²	25	77.9 Å²	77.9	11%	0.11	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.4	173.3	66.2	-80.4	0	0	0	111.4	I666 F674 I678 I702 R704 I705 A711 L717 I723 I743 L752	I666-F676 HydrophobicContact CD1-CD1 4.12Å; I666-F676 HydrophobicContact CD1-CE1 3.93Å; F674-F676 HydrophobicContact CB-CD1 3.96Å; F674-F676 HydrophobicContact CB-CE1 3.66Å; F674-F676 HydrophobicContact CG-CE1 4.48Å; F676-I678 HydrophobicContact CD2-CG1 4.03Å; F676-I678 HydrophobicContact CE2-CD1 3.87Å; F676-I678 HydrophobicContact CE2-CG1 3.78Å; F676-I702 HydrophobicContact CB-CG2 4.45Å; F676-I702 HydrophobicContact CD2-CG1 4.26Å; F676-R704 WeakPolarHBondContact CA-O 3.46Å; F676-I705 HydrophobicContact CB-CG1 4.22Å; F676-A711 HydrophobicContact CB-CB 3.91Å; F676-A711 HydrophobicContact CD1-CB 3.89Å; F676-A711 HydrophobicContact CG-CB 4.31Å; F676-L717 HydrophobicContact CB-CD2 3.88Å; F676-L717 HydrophobicContact CD1-CD2 4.23Å; F676-L717 HydrophobicContact CD2-CD2 4.28Å; F676-L717 HydrophobicContact CG-CD2 3.88Å; F676-I723 HydrophobicContact CE2-CD1 3.88Å; F676-I743 HydrophobicContact CE2-CD1 4.33Å; F676-I743 HydrophobicContact CZ-CD1 4.03Å; F676-L752 HydrophobicContact CE1-CD1 4Å; F676-L752 HydrophobicContact CE2-CD1 3.87Å; F676-L752 HydrophobicContact CZ-CD1 3.49Å; F676-L752 VanDerWaalsContact CZ-CD1 3.49Å; F676-L752 HydrophobicContact CZ-CD2 4.24Å; F676-L752 HydrophobicContact CZ-CG 4.45Å
677	V	84.8	Confident	67	Low	23 Å²	23	83.3 Å²	83.3	14%	0.139	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.3	-176.6	-176.7	0	0	0	0	110	G703 R704 I772	V677-G703 PolarHBondContact O-N 2.9Å; V677-R704 HydrophobicContact CB-CB 4.07Å; V677-R704 HydrophobicContact CG2-CB 4.03Å; V677-R704 PolarHBondContact N-O 3.3Å; V677-I772 HydrophobicContact CG1-CD1 4.45Å; V677-I772 HydrophobicContact CG1-CG2 4.42Å
678	I	86.4	Confident	64.5	Low	19 Å²	19	78.9 Å²	78.9	10%	0.097	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.8	178.7	-55.9	177.2	0	0	0	110.1	F676 H700 I723 H736 I739 I743	F676-I678 HydrophobicContact CD2-CG1 4.03Å; F676-I678 HydrophobicContact CE2-CD1 3.87Å; F676-I678 HydrophobicContact CE2-CG1 3.78Å; I678-H700 HydrophobicContact CG2-CB 3.72Å; I678-I723 HydrophobicContact CD1-CD1 3.78Å; I678-I723 HydrophobicContact CG1-CD1 3.89Å; I678-H736 PolarHBondContact O-CE1 2.98Å; I678-I739 HydrophobicContact CD1-CG2 3.95Å; I678-I743 HydrophobicContact CD1-CD1 3.38Å
679	V	78.8	Confident	61.8	Low	52 Å²	52	82.8 Å²	82.8	32%	0.315	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.6	171.6	177.1	0	0	0	0	108.4	S681 K701	V679-S681 PolarHBondContact O-N 3.38Å; V679-S681 VanDerWaalsContact O-N 3.12Å; V679-K701 PolarHBondContact N-O 2.86Å; V679-K701 PolarHBondContact O-N 3.18Å
680	S	61.9	Low	59.8	Low	36 Å²	36	87.7 Å²	87.7	25%	0.252	52%	0.519	S	S	.	.			trans	-72.1	102.2	171.3	-68.8	0	0	0	0	110.1	V682 H700 H736	S680-V682 PolarHBondContact O-N 2.8Å; S680-H700 PolarHBondContact OG-CD2 2.95Å; S680-H700 PolarHBondContact OG-NE2 2.99Å; S680-H736 WeakPolarHBondContact OG-CB 3.47Å; S680-H736 PolarHBondContact OG-ND1 2.78Å
681	S	53.3	Low	57.5	Low	38 Å²	38	90.3 Å²	90.3	27%	0.266	53%	0.529	S	S	.	.			trans	-71.6	73.7	171.1	46.9	0	0	0	0	111.2	V679 S683 M698 P699	V679-S681 PolarHBondContact O-N 3.38Å; V679-S681 VanDerWaalsContact O-N 3.12Å; S681-S683 PolarHBondContact O-N 3.21Å; S681-M698 PolarHBondContact OG-O 2.79Å; S681-P699 PolarHBondContact OG-O 2.71Å
682	V	42.6	Very low	56	Low	127 Å²	127	86 Å²	86	77%	0.77	52%	0.522	S	S	*	.			trans	-80.3	69.6	172.8	-169.6	0	0	0	0	109.4	S680 R684	S680-V682 PolarHBondContact O-N 2.8Å; V682-R684 PolarHBondContact O-N 2.95Å
683	S	35.2	Very low	53.4	Low	76 Å²	76	91.1 Å²	91.1	53%	0.531	55%	0.552	S	S	.	*			trans	-75.6	98.5	173.1	54.3	0	0	0	0	110.2	S681	S681-S683 PolarHBondContact O-N 3.21Å
684	R	30.3	Very low	51	Low	219 Å²	219	93.3 Å²	93.3	83%	0.826	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-66.7	127.3	152.6	-81.2	-171.8	171.7	-156.8	-3.6	107.2	V682	V682-R684 PolarHBondContact O-N 2.95Å
685	P	36	Very low	48.4	Very low	123 Å²	123	99.1 Å²	99.1	80%	0.799	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-76.3	127.8	164	30.8	-30.4	0	0	0	108.9
686	E	30.8	Very low	46.2	Very low	191 Å²	191	103.9 Å²	103.9	89%	0.893	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-72.9	151.2	162.5	-68.3	-177.4	120.2	0	0	109.8	G688	E686-G688 PolarHBondContact O-N 2.84Å
687	A	35	Very low	44.3	Very low	115 Å²	115	104.9 Å²	104.9	95%	0.95	65%	0.645	S	S	*	*	S	Bend	trans	-78	116.1	-174.8	0	0	0	0	0	110.9
688	G	35.1	Very low	42.9	Very low	73 Å²	73	107.6 Å²	107.6	75%	0.753	66%	0.657	S	S	*	*			trans	-169.2	-12.2	-178.6	0	0	0	0	0	119.2	E686	E686-G688 PolarHBondContact O-N 2.84Å
689	T	30.9	Very low	41.7	Very low	140 Å²	140	107.1 Å²	107.1	86%	0.859	66%	0.656	S	S	*	*			trans	-136.2	118.4	-179.1	49.4	0	0	0	0	113.7	F691	T689-F691 PolarHBondContact O-N 2.93Å
690	T	38.8	Very low	41.5	Very low	137 Å²	137	105.6 Å²	105.6	84%	0.84	65%	0.645	S	S	*	*			trans	-85.1	92.7	171.6	49.7	0	0	0	0	111.7
691	F	28.9	Very low	42.6	Very low	213 Å²	213	104.8 Å²	104.8	93%	0.934	64%	0.637	S	S	*	*			trans	-149.5	134.3	150.5	-93.5	-67.7	0	0	0	110.2	T689	T689-F691 PolarHBondContact O-N 2.93Å
692	G	38	Very low	44.1	Very low	71 Å²	71	103 Å²	103	73%	0.732	62%	0.624	S	S	*	*			trans	-82.4	121.9	-170.6	0	0	0	0	0	113.4
693	N	29.8	Very low	45.9	Very low	168 Å²	168	97.7 Å²	97.7	90%	0.898	60%	0.595	S	S	*	*			trans	-155.2	163.1	149.6	-101.1	-38.9	0	0	0	109.7	C695	N693-C695 PolarHBondContact O-N 2.9Å
694	A	32.8	Very low	48.2	Very low	86 Å²	86	97.4 Å²	97.4	71%	0.711	58%	0.582	S	S	*	*			trans	-62.5	134.6	-168	0	0	0	0	0	113.3	V696	A694-V696 PolarHBondContact O-N 2.79Å
695	C	33.2	Very low	50.9	Low	136 Å²	136	88.2 Å²	88.2	92%	0.919	55%	0.55	S	S	*	.			trans	-72.8	74.7	174.3	34.1	0	0	0	0	111.7	N693 A697	N693-C695 PolarHBondContact O-N 2.9Å; C695-A697 PolarHBondContact O-N 2.81Å
696	V	40.3	Very low	53.3	Low	114 Å²	114	86.4 Å²	86.4	69%	0.691	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-66	120.4	169.9	179.1	0	0	0	0	109.1	A694 M698	A694-V696 PolarHBondContact O-N 2.79Å; V696-M698 PolarHBondContact O-N 2.98Å
697	A	47.6	Very low	55.6	Low	45 Å²	45	85.8 Å²	85.8	37%	0.372	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-59.7	119.7	171.7	0	0	0	0	0	109.8	C695 P699	C695-A697 PolarHBondContact O-N 2.81Å; A697-P699 WeakPolarHBondContact O-CD 3.45Å
698	M	54.6	Low	57.6	Low	80 Å²	80	82.6 Å²	82.6	39%	0.394	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-61	118.9	-172.6	-83.7	-78.7	-80.9	0	0	111.3	S681 V696	S681-M698 PolarHBondContact OG-O 2.79Å; V696-M698 PolarHBondContact O-N 2.98Å
699	P	61.1	Low	60.1	Low	10 Å²	10	79.7 Å²	79.7	7%	0.065	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-63.6	142.1	-178.8	21.6	-29.6	0	0	0	111.6	S681 A697 K701 R722 I723 L724	S681-P699 PolarHBondContact OG-O 2.71Å; A697-P699 WeakPolarHBondContact O-CD 3.45Å; P699-K701 PolarHBondContact O-N 3.47Å; P699-R722 HydrophobicContact CB-CB 4.15Å; P699-R722 HydrophobicContact CG-CB 3.94Å; P699-I723 VanDerWaalsContact CB-O 3.3Å; P699-I723 WeakPolarHBondContact CB-O 3.29Å; P699-L724 HydrophobicContact CB-CD2 4.07Å; P699-L724 HydrophobicContact CG-CD2 4.18Å
700	H	76	Confident	62.9	Low	19 Å²	19	73.2 Å²	73.2	9%	0.088	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.4	-168.2	-76.5	50.5	0	0	0	111.9	I678 S680 R722 I723 I731 I739	I678-H700 HydrophobicContact CG2-CB 3.72Å; S680-H700 PolarHBondContact OG-CD2 2.95Å; S680-H700 PolarHBondContact OG-NE2 2.99Å; H700-R722 CarbonylContact O-C 3.49Å; H700-R722 WeakPolarHBondContact O-CA 3.17Å; H700-I723 PolarHBondContact O-N 3.05Å; H700-I731 HydrophobicContact CB-CD1 4.15Å; H700-I739 VanDerWaalsContact CE1-CD1 3.48Å; H700-I739 WeakPolarHBondContact CE1-CD1 3.49Å; H700-I739 VanDerWaalsContact NE2-CD1 3.33Å; H700-I739 WeakPolarHBondContact NE2-CD1 3.36Å
701	K	84.3	Confident	65.3	Low	20 Å²	20	66.7 Å²	66.7	9%	0.087	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	147.2	-174.6	-162.6	-172.9	179	-168.2	0	111.6	V679 P699 G720 D721 S761 N762 L765	V679-K701 PolarHBondContact N-O 2.86Å; V679-K701 PolarHBondContact O-N 3.18Å; P699-K701 PolarHBondContact O-N 3.47Å; K701-G720 WeakPolarHBondContact CE-O 3.38Å; K701-G720 WeakPolarHBondContact CG-O 3.35Å; K701-D721 CarbonylContact C-O 3.54Å; K701-D721 WeakPolarHBondContact CA-O 3.39Å; K701-S761 PolarHBondContact NZ-O 3Å; K701-N762 PolarHBondContact NZ-OD1 2.83Å; K701-L765 HydrophobicContact CD-CD1 4.09Å
702	I	85.4	Confident	68	Low	0 Å²	0	60.1 Å²	60.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	111.9	166.6	-66.4	162.8	0	0	0	108.1	F676 I705 L717 G720 D721 I723 I754	F676-I702 HydrophobicContact CB-CG2 4.45Å; F676-I702 HydrophobicContact CD2-CG1 4.26Å; I702-I705 HydrophobicContact CG2-CD1 4.3Å; I702-I705 HydrophobicContact CG2-CG1 3.9Å; I702-L717 HydrophobicContact CD1-CD1 3.59Å; I702-L717 HydrophobicContact CD1-CD2 3.86Å; I702-L717 HydrophobicContact CD1-CG 3.7Å; I702-G720 PolarHBondContact O-N 3.05Å; I702-D721 HydrophobicContact CD1-CB 4.03Å; I702-D721 PolarHBondContact N-O 2.75Å; I702-I723 HydrophobicContact CD1-CD1 4.02Å; I702-I723 HydrophobicContact CD1-CG1 3.79Å; I702-I723 HydrophobicContact CG1-CD1 3.83Å; I702-I723 HydrophobicContact CG1-CG1 3.91Å; I702-I754 HydrophobicContact CD1-CD1 4.1Å
703	G	80.6	Confident	70.3	Confident	15 Å²	15	63.2 Å²	63.2	16%	0.155	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-19.8	-173.1	0	0	0	0	0	115	V677 V719	V677-G703 PolarHBondContact O-N 2.9Å; G703-V719 WeakPolarHBondContact O-CG1 3.45Å
704	R	83.2	Confident	72.9	Confident	70 Å²	70	56.8 Å²	56.8	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	145.5	173.5	-174	172.3	-72.4	-162.9	-3.9	109.6	F676 V677 E770	F676-R704 WeakPolarHBondContact CA-O 3.46Å; V677-R704 HydrophobicContact CB-CB 4.07Å; V677-R704 HydrophobicContact CG2-CB 4.03Å; V677-R704 PolarHBondContact N-O 3.3Å; R704-E770 IonicContact CZ-OE1 3.47Å; R704-E770 IonicContact NH1-OE1 3.6Å; R704-E770 PolarHBondContact NH1-OE1 2.83Å; R704-E770 IonicContact NH2-OE1 2.71Å; R704-E770 PolarHBondContact NH2-OE1 3.06Å
705	I	86.3	Confident	75.2	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.138	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.4	165.3	-64.7	173.3	0	0	0	106	F676 I702 A711 D712 L717 V719	F676-I705 HydrophobicContact CB-CG1 4.22Å; I702-I705 HydrophobicContact CG2-CD1 4.3Å; I702-I705 HydrophobicContact CG2-CG1 3.9Å; I705-A711 HydrophobicContact CG2-CB 4.12Å; I705-D712 HydrophobicContact CG2-CB 3.85Å; I705-L717 VanDerWaalsContact CD1-C 3.49Å; I705-L717 HydrophobicContact CD1-CB 3.94Å; I705-L717 HydrophobicContact CD1-CD2 4.01Å; I705-L717 HydrophobicContact CD1-CG 4.03Å; I705-L717 WeakPolarHBondContact CD1-O 3.46Å; I705-L717 HydrophobicContact CG1-CD2 4.36Å; I705-V719 HydrophobicContact CB-CG2 4.16Å; I705-V719 HydrophobicContact CD1-CG2 4.29Å; I705-V719 HydrophobicContact CG1-CG2 3.95Å
706	I	86.6	Confident	77.6	Confident	85 Å²	85	55.6 Å²	55.6	44%	0.436	31%	0.31	S	S	.	.			trans	-94.1	123	-177.8	-58.7	175.5	0	0	0	108.2	G675 S709 D712	G675-I706 WeakPolarHBondContact O-CB 3.36Å; G675-I706 WeakPolarHBondContact O-CG1 3.37Å; G675-I706 PolarHBondContact O-N 2.71Å; I706-S709 WeakPolarHBondContact O-CB 3.25Å; I706-S709 PolarHBondContact O-N 3.33Å; I706-S709 PolarHBondContact O-OG 2.94Å; I706-D712 VanDerWaalsContact O-CB 3.29Å; I706-D712 WeakPolarHBondContact O-CB 3.49Å
707	E	79.1	Confident	79.9	Confident	178 Å²	178	50.7 Å²	50.7	83%	0.832	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	140	179.2	-61.3	179.6	166.8	0	0	111.6	S709	E707-S709 PolarHBondContact O-N 3.07Å; E707-S709 VanDerWaalsContact O-N 3.16Å
708	G	77.4	Confident	81.7	Confident	48 Å²	48	54.9 Å²	54.9	50%	0.495	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-5	-176.7	0	0	0	0	0	115.8	D712 R713	G708-D712 PolarHBondContact N-OD2 3.44Å; G708-R713 VanDerWaalsContact O-CD 3.31Å; G708-R713 WeakPolarHBondContact O-CD 3.45Å; G708-R713 PolarHBondContact O-NH1 3.1Å
709	S	88	Confident	83.1	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.084	29%	0.29	C	S	.	.	S	Bend	trans	-80.5	168.6	-179.2	80	0	0	0	0	113.4	G675 I706 E707 A711 D712 R713	G675-S709 WeakPolarHBondContact CA-OG 3.47Å; G675-S709 PolarHBondContact O-OG 3.34Å; I706-S709 WeakPolarHBondContact O-CB 3.25Å; I706-S709 PolarHBondContact O-N 3.33Å; I706-S709 PolarHBondContact O-OG 2.94Å; E707-S709 PolarHBondContact O-N 3.07Å; E707-S709 VanDerWaalsContact O-N 3.16Å; S709-A711 VanDerWaalsContact C-N 3.27Å; S709-A711 PolarHBondContact O-N 2.83Å; S709-D712 PolarHBondContact O-N 3.14Å; S709-D712 VanDerWaalsContact O-N 3.11Å; S709-R713 WeakPolarHBondContact O-CB 3.38Å; S709-R713 VanDerWaalsContact O-CG 3.23Å; S709-R713 WeakPolarHBondContact O-CG 3.42Å; S709-R713 PolarHBondContact O-N 3.2Å
710	P	88.6	Confident	83.9	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-52.2	-38.6	177.9	-29.2	36.4	0	0	0	115.3	I666 R668 E672 G673 C714	I666-P710 HydrophobicContact CG2-CB 3.63Å; R668-P710 HydrophobicContact CB-CB 4.27Å; R668-P710 HydrophobicContact CB-CG 3.73Å; E672-P710 VanDerWaalsContact CD-CG 3.44Å; E672-P710 HydrophobicContact CG-CG 3.86Å; E672-P710 WeakPolarHBondContact OE2-CD 3.26Å; E672-P710 WeakPolarHBondContact OE2-CG 3.5Å; G673-P710 WeakPolarHBondContact O-CD 3.46Å; G673-P710 VanDerWaalsContact O-CG 3.29Å; G673-P710 WeakPolarHBondContact O-CG 3.1Å; P710-C714 WeakPolarHBondContact O-CB 3.48Å; P710-C714 PolarHBondContact O-N 2.85Å
711	A	89.2	Confident	84.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.3	-35	179	0	0	0	0	0	113.2	I666 F674 F676 I705 S709 C714 L717	I666-A711 HydrophobicContact CD1-CB 4.14Å; F674-A711 WeakPolarHBondContact O-CB 3.18Å; F674-A711 PolarHBondContact O-N 3Å; F676-A711 HydrophobicContact CB-CB 3.91Å; F676-A711 HydrophobicContact CD1-CB 3.89Å; F676-A711 HydrophobicContact CG-CB 4.31Å; I705-A711 HydrophobicContact CG2-CB 4.12Å; S709-A711 VanDerWaalsContact C-N 3.27Å; S709-A711 PolarHBondContact O-N 2.83Å; A711-C714 PolarHBondContact O-SG 2.82Å; A711-L717 HydrophobicContact CB-CD2 3.88Å
712	D	86.9	Confident	84.6	Confident	74 Å²	74	54.8 Å²	54.8	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-50.8	172.7	-179.7	55.4	0	0	0	110.4	I705 I706 G708 S709 C714 G715	I705-D712 HydrophobicContact CG2-CB 3.85Å; I706-D712 VanDerWaalsContact O-CB 3.29Å; I706-D712 WeakPolarHBondContact O-CB 3.49Å; G708-D712 PolarHBondContact N-OD2 3.44Å; S709-D712 PolarHBondContact O-N 3.14Å; S709-D712 VanDerWaalsContact O-N 3.11Å; D712-C714 PolarHBondContact O-N 2.95Å; D712-G715 PolarHBondContact O-N 3.28Å
713	R	85.6	Confident	84.8	Confident	137 Å²	137	54.8 Å²	54.8	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-16.5	176.3	-63	-175.8	-41.5	-120.1	14.6	114.1	E672 G708 S709	E672-R713 VanDerWaalsContact CD-NH2 3.29Å; E672-R713 IonicContact OE1-CZ 3.3Å; E672-R713 IonicContact OE1-NH2 2.98Å; E672-R713 PolarHBondContact OE1-NH2 2.71Å; E672-R713 IonicContact OE2-CZ 3.21Å; E672-R713 IonicContact OE2-NH1 3.58Å; E672-R713 PolarHBondContact OE2-NH1 3.02Å; E672-R713 IonicContact OE2-NH2 2.8Å; E672-R713 PolarHBondContact OE2-NH2 2.72Å; G708-R713 VanDerWaalsContact O-CD 3.31Å; G708-R713 WeakPolarHBondContact O-CD 3.45Å; G708-R713 PolarHBondContact O-NH1 3.1Å; S709-R713 WeakPolarHBondContact O-CB 3.38Å; S709-R713 VanDerWaalsContact O-CG 3.23Å; S709-R713 WeakPolarHBondContact O-CG 3.42Å; S709-R713 PolarHBondContact O-N 3.2Å
714	C	83.8	Confident	85.1	Confident	33 Å²	33	56 Å²	56	22%	0.223	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.3	173.6	92.7	0	0	0	0	113.1	P710 A711 D712 K716	P710-C714 WeakPolarHBondContact O-CB 3.48Å; P710-C714 PolarHBondContact O-N 2.85Å; A711-C714 PolarHBondContact O-SG 2.82Å; D712-C714 PolarHBondContact O-N 2.95Å; C714-K716 PolarHBondContact O-N 2.9Å
715	G	81.8	Confident	85.3	Confident	67 Å²	67	53 Å²	53	69%	0.691	28%	0.284	S	S	*	.	S	Bend	trans	62.9	-8.4	176.2	0	0	0	0	0	116.7	D712	D712-G715 PolarHBondContact O-N 3.28Å
716	K	83.3	Confident	85.5	Confident	129 Å²	129	51.8 Å²	51.8	56%	0.561	28%	0.278	S	S	*	.			trans	-93.8	-23.1	-174.8	-71.8	177.4	179.4	-177.7	0	113.7	Y662 V664 C714	Y662-K716 HydrophobicContact CE2-CB 4.49Å; Y662-K716 PolarHBondContact OH-O 2.88Å; V664-K716 HydrophobicContact CG1-CB 3.92Å; V664-K716 HydrophobicContact CG1-CD 4.48Å; V664-K716 HydrophobicContact CG2-CB 3.99Å; C714-K716 PolarHBondContact O-N 2.9Å
717	L	88.3	Confident	85.6	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	28%	0.277	C	S	.	.			trans	-93.7	137.3	-173.5	-156.2	77.1	0	0	0	110.2	V664 I666 F676 I702 I705 A711 L752 I754	V664-L717 HydrophobicContact CB-CD1 4.5Å; V664-L717 HydrophobicContact CG1-CD1 4.34Å; V664-L717 HydrophobicContact CG2-CD1 4.46Å; I666-L717 HydrophobicContact CD1-CD2 3.96Å; F676-L717 HydrophobicContact CB-CD2 3.88Å; F676-L717 HydrophobicContact CD1-CD2 4.23Å; F676-L717 HydrophobicContact CD2-CD2 4.28Å; F676-L717 HydrophobicContact CG-CD2 3.88Å; I702-L717 HydrophobicContact CD1-CD1 3.59Å; I702-L717 HydrophobicContact CD1-CD2 3.86Å; I702-L717 HydrophobicContact CD1-CG 3.7Å; I705-L717 VanDerWaalsContact CD1-C 3.49Å; I705-L717 HydrophobicContact CD1-CB 3.94Å; I705-L717 HydrophobicContact CD1-CD2 4.01Å; I705-L717 HydrophobicContact CD1-CG 4.03Å; I705-L717 WeakPolarHBondContact CD1-O 3.46Å; I705-L717 HydrophobicContact CG1-CD2 4.36Å; A711-L717 HydrophobicContact CB-CD2 3.88Å; L717-L752 HydrophobicContact CD1-CD1 4.11Å; L717-I754 HydrophobicContact CD1-CD1 3.8Å; L717-I754 HydrophobicContact CD1-CG1 3.96Å
718	K	84.8	Confident	85.7	Confident	133 Å²	133	46.3 Å²	46.3	58%	0.578	27%	0.272	S	S	*	.			trans	-123.1	151.1	177.4	-66.5	-171.7	175	-170.5	0	114.2	G720 D721	K718-G720 PolarHBondContact O-N 2.86Å; K718-D721 PolarHBondContact N-OD2 3.17Å; K718-D721 WeakPolarHBondContact O-CB 3.25Å; K718-D721 PolarHBondContact O-N 3.03Å
719	V	84.8	Confident	86	Confident	65 Å²	65	47 Å²	47	39%	0.394	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	113.8	165.4	179.5	0	0	0	0	108.2	G703 I705	G703-V719 WeakPolarHBondContact O-CG1 3.45Å; I705-V719 HydrophobicContact CB-CG2 4.16Å; I705-V719 HydrophobicContact CD1-CG2 4.29Å; I705-V719 HydrophobicContact CG1-CG2 3.95Å
720	G	77.6	Confident	85.8	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	135.8	-44.2	-162.5	0	0	0	0	0	112	K701 I702 K718 G757	K701-G720 WeakPolarHBondContact CE-O 3.38Å; K701-G720 WeakPolarHBondContact CG-O 3.35Å; I702-G720 PolarHBondContact O-N 3.05Å; K718-G720 PolarHBondContact O-N 2.86Å; G720-G757 WeakPolarHBondContact O-CA 3.41Å
721	D	87.8	Confident	85.5	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	29%	0.286	C	S	.	.			trans	-65.5	150.6	-166	-75.2	-3.6	0	0	0	114.2	Y662 K701 I702 K718 I754 P756 G757	Y662-D721 PolarHBondContact OH-OD2 3.39Å; K701-D721 CarbonylContact C-O 3.54Å; K701-D721 WeakPolarHBondContact CA-O 3.39Å; I702-D721 HydrophobicContact CD1-CB 4.03Å; I702-D721 PolarHBondContact N-O 2.75Å; K718-D721 PolarHBondContact N-OD2 3.17Å; K718-D721 WeakPolarHBondContact O-CB 3.25Å; K718-D721 PolarHBondContact O-N 3.03Å; D721-I754 HydrophobicContact CB-CG2 3.57Å; D721-P756 WeakPolarHBondContact OD1-CA 3.31Å; D721-G757 PolarHBondContact OD1-N 3.44Å
722	R	87.3	Confident	84.9	Confident	56 Å²	56	51.8 Å²	51.8	21%	0.211	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.4	179.5	-52.9	-174.7	-163.8	162.4	10.6	111.1	P699 H700 I754 I755 D758	P699-R722 HydrophobicContact CB-CB 4.15Å; P699-R722 HydrophobicContact CG-CB 3.94Å; H700-R722 CarbonylContact O-C 3.49Å; H700-R722 WeakPolarHBondContact O-CA 3.17Å; R722-I754 WeakPolarHBondContact O-CA 3.42Å; R722-I755 PolarHBondContact N-O 3.07Å; R722-I755 PolarHBondContact O-N 2.99Å; R722-D758 IonicContact NH2-OD2 3Å
723	I	89.9	Confident	84	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.6	-179.5	-52.4	169.9	0	0	0	109.3	F676 I678 P699 H700 I702 V726 I731 I754	F676-I723 HydrophobicContact CE2-CD1 3.88Å; I678-I723 HydrophobicContact CD1-CD1 3.78Å; I678-I723 HydrophobicContact CG1-CD1 3.89Å; P699-I723 VanDerWaalsContact CB-O 3.3Å; P699-I723 WeakPolarHBondContact CB-O 3.29Å; H700-I723 PolarHBondContact O-N 3.05Å; I702-I723 HydrophobicContact CD1-CD1 4.02Å; I702-I723 HydrophobicContact CD1-CG1 3.79Å; I702-I723 HydrophobicContact CG1-CD1 3.83Å; I702-I723 HydrophobicContact CG1-CG1 3.91Å; I723-V726 HydrophobicContact CG2-CG2 4.25Å; I723-I731 HydrophobicContact CB-CD1 3.79Å; I723-I731 HydrophobicContact CG2-CD1 3.58Å; I723-I731 HydrophobicContact CG2-CG1 4.31Å; I723-I731 WeakPolarHBondContact O-CD1 3.49Å; I723-I731 WeakPolarHBondContact O-CG1 3.39Å; I723-I754 HydrophobicContact CB-CD1 4.33Å; I723-I754 HydrophobicContact CG1-CD1 3.77Å; I723-I754 HydrophobicContact CG2-CD1 4.49Å
724	L	86.9	Confident	83.5	Confident	39 Å²	39	52.6 Å²	52.6	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-39.4	172.4	-75.4	178.6	0	0	0	112.8	P661 P699 S730 I731 R753 I755	P661-L724 HydrophobicContact CB-CD1 3.75Å; P661-L724 HydrophobicContact CG-CD1 3.87Å; P699-L724 HydrophobicContact CB-CD2 4.07Å; P699-L724 HydrophobicContact CG-CD2 4.18Å; L724-S730 WeakPolarHBondContact O-CA 3.2Å; L724-I731 WeakPolarHBondContact O-CG1 3.38Å; L724-I731 PolarHBondContact O-N 2.58Å; L724-R753 HydrophobicContact CB-CB 4.35Å; L724-R753 HydrophobicContact CB-CG 4.39Å; L724-R753 HydrophobicContact CD1-CG 4.43Å; L724-R753 PolarHBondContact N-O 3.31Å; L724-I755 HydrophobicContact CD1-CD1 3.83Å; L724-I755 HydrophobicContact CD1-CG1 3.69Å; L724-I755 HydrophobicContact CD2-CD1 3.78Å; L724-I755 HydrophobicContact CD2-CG1 4.4Å; L724-I755 HydrophobicContact CG-CD1 3.83Å; L724-I755 HydrophobicContact CG-CG1 3.88Å
725	A	87.7	Confident	83.2	Confident	8 Å²	8	53.9 Å²	53.9	7%	0.066	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.8	-174.4	0	0	0	0	0	112.6	C729 L752 R753	A725-C729 CarbonylContact C-O 3.53Å; A725-C729 WeakPolarHBondContact CA-O 3.48Å; A725-C729 WeakPolarHBondContact CB-O 3.22Å; A725-L752 WeakPolarHBondContact O-CA 3.37Å; A725-R753 HydrophobicContact CB-CB 3.89Å; A725-R753 PolarHBondContact N-O 2.74Å; A725-R753 PolarHBondContact O-N 3.31Å
726	V	90.4	Very high	83	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	174.5	178.5	0	0	0	0	107.8	I723 G728 C729 I731 L742 I743 V750 T751 L752	I723-V726 HydrophobicContact CG2-CG2 4.25Å; V726-G728 PolarHBondContact O-N 2.81Å; V726-C729 PolarHBondContact N-O 3.4Å; V726-C729 WeakPolarHBondContact O-CB 3.38Å; V726-C729 PolarHBondContact O-N 2.95Å; V726-I731 HydrophobicContact CB-CG2 4.3Å; V726-I731 HydrophobicContact CG2-CG2 3.82Å; V726-L742 HydrophobicContact CB-CB 4.36Å; V726-L742 HydrophobicContact CG1-CB 4.04Å; V726-I743 HydrophobicContact CG1-CG1 3.71Å; V726-I743 HydrophobicContact CG2-CD1 4.23Å; V726-I743 HydrophobicContact CG2-CG1 3.98Å; V726-V750 HydrophobicContact CG1-CG2 3.62Å; V726-T751 CarbonylContact C-O 3.5Å; V726-L752 HydrophobicContact CB-CD2 4.47Å; V726-L752 HydrophobicContact CG1-CD2 4.34Å; V726-L752 HydrophobicContact CG2-CD2 3.9Å
727	N	88.4	Confident	82.7	Confident	78 Å²	78	52.1 Å²	52.1	42%	0.417	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	39.3	-174	-68.3	-1	0	0	0	113.2	C729 A746 V750 T751	N727-C729 PolarHBondContact O-N 2.78Å; N727-A746 VanDerWaalsContact ND2-CB 3.27Å; N727-A746 WeakPolarHBondContact ND2-CB 3.16Å; N727-V750 WeakPolarHBondContact OD1-CA 3.35Å; N727-T751 PolarHBondContact N-O 3.15Å; N727-T751 PolarHBondContact OD1-N 3.01Å
728	G	81	Confident	82.5	Confident	71 Å²	71	55 Å²	55	73%	0.732	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-13.8	-176	0	0	0	0	0	115.4	V726 S730	V726-G728 PolarHBondContact O-N 2.81Å; G728-S730 PolarHBondContact O-N 3.35Å
729	C	83.4	Confident	82.5	Confident	63 Å²	63	48.8 Å²	48.8	43%	0.426	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.6	173	-70.5	0	0	0	0	111.1	A725 V726 N727 L742	A725-C729 CarbonylContact C-O 3.53Å; A725-C729 WeakPolarHBondContact CA-O 3.48Å; A725-C729 WeakPolarHBondContact CB-O 3.22Å; V726-C729 PolarHBondContact N-O 3.4Å; V726-C729 WeakPolarHBondContact O-CB 3.38Å; V726-C729 PolarHBondContact O-N 2.95Å; N727-C729 PolarHBondContact O-N 2.78Å; C729-L742 HydrophobicContact CB-CD1 4.37Å
730	S	84.3	Confident	82.4	Confident	67 Å²	67	47.6 Å²	47.6	47%	0.469	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	139.8	173.1	-178.7	0	0	0	0	111.7	L724 G728 T732 K734	L724-S730 WeakPolarHBondContact O-CA 3.2Å; G728-S730 PolarHBondContact O-N 3.35Å; S730-T732 PolarHBondContact OG-OG1 3.08Å; S730-K734 VanDerWaalsContact O-CE 3.29Å; S730-K734 WeakPolarHBondContact O-CE 3.46Å
731	I	82.8	Confident	82.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.302	C	S	.	.			trans	-109.9	0.8	-179.3	67.5	161.3	0	0	0	114.8	H700 I723 L724 V726 N733 K734 I739 L742	H700-I731 HydrophobicContact CB-CD1 4.15Å; I723-I731 HydrophobicContact CB-CD1 3.79Å; I723-I731 HydrophobicContact CG2-CD1 3.58Å; I723-I731 HydrophobicContact CG2-CG1 4.31Å; I723-I731 WeakPolarHBondContact O-CD1 3.49Å; I723-I731 WeakPolarHBondContact O-CG1 3.39Å; L724-I731 WeakPolarHBondContact O-CG1 3.38Å; L724-I731 PolarHBondContact O-N 2.58Å; V726-I731 HydrophobicContact CB-CG2 4.3Å; V726-I731 HydrophobicContact CG2-CG2 3.82Å; I731-N733 PolarHBondContact O-N 3.29Å; I731-N733 VanDerWaalsContact O-N 3.11Å; I731-K734 HydrophobicContact CG2-CD 4.29Å; I731-K734 PolarHBondContact O-N 3.2Å; I731-K734 VanDerWaalsContact O-N 3.09Å; I731-I739 HydrophobicContact CB-CD1 4.01Å; I731-I739 HydrophobicContact CB-CG1 3.85Å; I731-I739 HydrophobicContact CD1-CD1 4.02Å; I731-I739 HydrophobicContact CD1-CG1 4.28Å; I731-I739 HydrophobicContact CD1-CG2 3.98Å; I731-I739 HydrophobicContact CG2-CG1 4Å; I731-I739 HydrophobicContact CG2-CG2 4.43Å; I731-L742 HydrophobicContact CG2-CD1 4.36Å
732	T	76.3	Confident	82.7	Confident	48 Å²	48	52 Å²	52	29%	0.294	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33	-173	53.8	0	0	0	0	114.5	S730	S730-T732 PolarHBondContact OG-OG1 3.08Å
733	N	68.1	Low	82.7	Confident	148 Å²	148	50.2 Å²	50.2	79%	0.791	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	22.1	-179.8	-66.4	-15.4	0	0	0	113.2	I731	I731-N733 PolarHBondContact O-N 3.29Å; I731-N733 VanDerWaalsContact O-N 3.11Å
734	K	74.7	Confident	82.4	Confident	81 Å²	81	56.9 Å²	56.9	35%	0.352	33%	0.331	S	S	.	.			trans	-101.1	148.3	179.1	-73	-175.6	179.1	-77.7	0	111	S730 I731 D738 I739 L742	S730-K734 VanDerWaalsContact O-CE 3.29Å; S730-K734 WeakPolarHBondContact O-CE 3.46Å; I731-K734 HydrophobicContact CG2-CD 4.29Å; I731-K734 PolarHBondContact O-N 3.2Å; I731-K734 VanDerWaalsContact O-N 3.09Å; K734-D738 HydrophobicContact CB-CB 4.12Å; K734-I739 HydrophobicContact CB-CD1 4.15Å; K734-I739 HydrophobicContact CB-CG1 3.78Å; K734-L742 HydrophobicContact CD-CD1 3.54Å
735	S	77.1	Confident	82.3	Confident	59 Å²	59	62.3 Å²	62.3	41%	0.413	36%	0.355	S	S	.	.			trans	-73.1	158.8	173.6	77.1	0	0	0	0	110.9	S737 D738 I739	S735-S737 PolarHBondContact O-N 3.24Å; S735-D738 VanDerWaalsContact CB-OD2 3.24Å; S735-D738 WeakPolarHBondContact CB-OD2 3.35Å; S735-D738 PolarHBondContact N-OD2 3Å; S735-D738 PolarHBondContact O-N 2.93Å; S735-D738 PolarHBondContact OG-N 2.75Å; S735-D738 PolarHBondContact OG-OD2 2.84Å; S735-I739 WeakPolarHBondContact O-CG1 3.47Å; S735-I739 PolarHBondContact O-N 3.31Å
736	H	77.6	Confident	82	Confident	85 Å²	85	62.7 Å²	62.7	39%	0.394	36%	0.359	S	S	.	.	H	α-helix	trans	-49.6	-43.5	174.5	-174.1	93.3	0	0	0	112	I678 S680 I739 V740	I678-H736 PolarHBondContact O-CE1 2.98Å; S680-H736 WeakPolarHBondContact OG-CB 3.47Å; S680-H736 PolarHBondContact OG-ND1 2.78Å; H736-I739 PolarHBondContact O-N 2.86Å; H736-V740 WeakPolarHBondContact O-CG2 3.49Å; H736-V740 PolarHBondContact O-N 3Å
737	S	78	Confident	81.8	Confident	75 Å²	75	64 Å²	64	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-43.5	177.6	-53.1	0	0	0	0	112.7	S735 I739 V740 N741	S735-S737 PolarHBondContact O-N 3.24Å; S737-I739 VanDerWaalsContact C-N 3.3Å; S737-I739 PolarHBondContact O-N 2.72Å; S737-V740 PolarHBondContact O-N 3.31Å; S737-N741 WeakPolarHBondContact O-CB 3.37Å; S737-N741 PolarHBondContact O-N 3.44Å; S737-N741 PolarHBondContact O-ND2 2.93Å; S737-N741 PolarHBondContact O-OD1 3.1Å
738	D	83.1	Confident	81.7	Confident	72 Å²	72	63.4 Å²	63.4	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-34.6	178.8	-53.2	-48.9	0	0	0	111.7	K734 S735 N741 L742	K734-D738 HydrophobicContact CB-CB 4.12Å; S735-D738 VanDerWaalsContact CB-OD2 3.24Å; S735-D738 WeakPolarHBondContact CB-OD2 3.35Å; S735-D738 PolarHBondContact N-OD2 3Å; S735-D738 PolarHBondContact O-N 2.93Å; S735-D738 PolarHBondContact OG-N 2.75Å; S735-D738 PolarHBondContact OG-OD2 2.84Å; D738-N741 PolarHBondContact O-N 3.34Å; D738-L742 WeakPolarHBondContact O-CG 3.4Å; D738-L742 PolarHBondContact O-N 2.87Å
739	I	84.6	Confident	82.1	Confident	1 Å²	1	62 Å²	62	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-71.3	-45.4	179.1	-63.5	162.6	0	0	0	110.2	I678 H700 I731 K734 S735 H736 S737 N741 L742 I743	I678-I739 HydrophobicContact CD1-CG2 3.95Å; H700-I739 VanDerWaalsContact CE1-CD1 3.48Å; H700-I739 WeakPolarHBondContact CE1-CD1 3.49Å; H700-I739 VanDerWaalsContact NE2-CD1 3.33Å; H700-I739 WeakPolarHBondContact NE2-CD1 3.36Å; I731-I739 HydrophobicContact CB-CD1 4.01Å; I731-I739 HydrophobicContact CB-CG1 3.85Å; I731-I739 HydrophobicContact CD1-CD1 4.02Å; I731-I739 HydrophobicContact CD1-CG1 4.28Å; I731-I739 HydrophobicContact CD1-CG2 3.98Å; I731-I739 HydrophobicContact CG2-CG1 4Å; I731-I739 HydrophobicContact CG2-CG2 4.43Å; K734-I739 HydrophobicContact CB-CD1 4.15Å; K734-I739 HydrophobicContact CB-CG1 3.78Å; S735-I739 WeakPolarHBondContact O-CG1 3.47Å; S735-I739 PolarHBondContact O-N 3.31Å; H736-I739 PolarHBondContact O-N 2.86Å; S737-I739 VanDerWaalsContact C-N 3.3Å; S737-I739 PolarHBondContact O-N 2.72Å; I739-N741 VanDerWaalsContact C-N 3.27Å; I739-N741 PolarHBondContact O-N 2.87Å; I739-L742 PolarHBondContact O-N 2.79Å; I739-I743 HydrophobicContact CG2-CD1 4.18Å; I739-I743 WeakPolarHBondContact O-CG1 3.49Å; I739-I743 PolarHBondContact O-N 3.48Å; I739-I743 VanDerWaalsContact O-N 3.11Å
740	V	84.3	Confident	82.5	Confident	40 Å²	40	59 Å²	59	24%	0.242	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-36.1	173.1	169.6	0	0	0	0	111.2	H736 S737 K744	H736-V740 WeakPolarHBondContact O-CG2 3.49Å; H736-V740 PolarHBondContact O-N 3Å; S737-V740 PolarHBondContact O-N 3.31Å; V740-K744 HydrophobicContact CG1-CD 4.07Å; V740-K744 VanDerWaalsContact O-CG 3.3Å; V740-K744 WeakPolarHBondContact O-CG 3.26Å; V740-K744 PolarHBondContact O-N 2.93Å; V740-K744 VanDerWaalsContact O-N 3.08Å
741	N	84.8	Confident	82.8	Confident	71 Å²	71	58.1 Å²	58.1	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-46.2	175.3	-71.5	-13.9	0	0	0	111.9	S737 D738 I739 I743 K744 E745	S737-N741 WeakPolarHBondContact O-CB 3.37Å; S737-N741 PolarHBondContact O-N 3.44Å; S737-N741 PolarHBondContact O-ND2 2.93Å; S737-N741 PolarHBondContact O-OD1 3.1Å; D738-N741 PolarHBondContact O-N 3.34Å; I739-N741 VanDerWaalsContact C-N 3.27Å; I739-N741 PolarHBondContact O-N 2.87Å; N741-I743 PolarHBondContact O-N 2.67Å; N741-K744 CarbonylContact O-C 3.51Å; N741-K744 WeakPolarHBondContact O-CA 3.38Å; N741-K744 PolarHBondContact O-N 2.82Å; N741-E745 WeakPolarHBondContact O-CB 3.43Å; N741-E745 WeakPolarHBondContact O-CG 3.37Å; N741-E745 PolarHBondContact O-N 2.73Å
742	L	86.6	Confident	83.3	Confident	30 Å²	30	58.1 Å²	58.1	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-55.5	-39.3	174.2	-78.1	170.3	0	0	0	112.7	V726 C729 I731 K734 D738 I739 A746	V726-L742 HydrophobicContact CB-CB 4.36Å; V726-L742 HydrophobicContact CG1-CB 4.04Å; C729-L742 HydrophobicContact CB-CD1 4.37Å; I731-L742 HydrophobicContact CG2-CD1 4.36Å; K734-L742 HydrophobicContact CD-CD1 3.54Å; D738-L742 WeakPolarHBondContact O-CG 3.4Å; D738-L742 PolarHBondContact O-N 2.87Å; I739-L742 PolarHBondContact O-N 2.79Å; L742-A746 PolarHBondContact O-N 2.81Å
743	I	87.3	Confident	83.9	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-71.6	-30.8	177.4	-65.5	166.4	0	0	0	111.5	F674 F676 I678 V726 I739 N741 A746 V750	F674-I743 HydrophobicContact CD2-CG2 3.67Å; F674-I743 HydrophobicContact CE2-CG2 4.04Å; F674-I743 WeakPolarHBondContact CE2-O 3.49Å; F676-I743 HydrophobicContact CE2-CD1 4.33Å; F676-I743 HydrophobicContact CZ-CD1 4.03Å; I678-I743 HydrophobicContact CD1-CD1 3.38Å; V726-I743 HydrophobicContact CG1-CG1 3.71Å; V726-I743 HydrophobicContact CG2-CD1 4.23Å; V726-I743 HydrophobicContact CG2-CG1 3.98Å; I739-I743 HydrophobicContact CG2-CD1 4.18Å; I739-I743 WeakPolarHBondContact O-CG1 3.49Å; I739-I743 PolarHBondContact O-N 3.48Å; I739-I743 VanDerWaalsContact O-N 3.11Å; N741-I743 PolarHBondContact O-N 2.67Å; I743-A746 WeakPolarHBondContact O-CB 3.37Å; I743-V750 HydrophobicContact CG1-CG2 4.42Å
744	K	84.1	Confident	85	Confident	140 Å²	140	54.3 Å²	54.3	61%	0.609	29%	0.287	S	S	*	.	H	α-helix	trans	-75.1	-40.8	173.3	-72.5	168	179.9	175.5	0	112.1	V740 N741 A746 G747	V740-K744 HydrophobicContact CG1-CD 4.07Å; V740-K744 VanDerWaalsContact O-CG 3.3Å; V740-K744 WeakPolarHBondContact O-CG 3.26Å; V740-K744 PolarHBondContact O-N 2.93Å; V740-K744 VanDerWaalsContact O-N 3.08Å; N741-K744 CarbonylContact O-C 3.51Å; N741-K744 WeakPolarHBondContact O-CA 3.38Å; N741-K744 PolarHBondContact O-N 2.82Å; K744-A746 PolarHBondContact O-N 3.16Å; K744-G747 PolarHBondContact O-N 3Å; K744-G747 VanDerWaalsContact O-N 3.09Å
745	E	83.7	Confident	85.6	Confident	152 Å²	152	52.8 Å²	52.8	71%	0.71	28%	0.282	S	S	*	.	H	α-helix	trans	-66.6	-24.4	177.4	-72.8	170.8	-173.6	0	0	112.7	N741 G747	N741-E745 WeakPolarHBondContact O-CB 3.43Å; N741-E745 WeakPolarHBondContact O-CG 3.37Å; N741-E745 PolarHBondContact O-N 2.73Å; E745-G747 PolarHBondContact O-N 2.78Å; E745-G747 VanDerWaalsContact O-N 3.1Å
746	A	82.6	Confident	85.9	Confident	17 Å²	17	52.2 Å²	52.2	14%	0.14	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.3	168.6	0	0	0	0	0	114.2	N727 L742 I743 K744 N748 T749 V750	N727-A746 VanDerWaalsContact ND2-CB 3.27Å; N727-A746 WeakPolarHBondContact ND2-CB 3.16Å; L742-A746 PolarHBondContact O-N 2.81Å; I743-A746 WeakPolarHBondContact O-CB 3.37Å; K744-A746 PolarHBondContact O-N 3.16Å; A746-N748 PolarHBondContact O-N 3.48Å; A746-T749 PolarHBondContact O-N 2.89Å; A746-V750 HydrophobicContact CB-CB 3.8Å; A746-V750 HydrophobicContact CB-CG2 3.83Å
747	G	84.5	Confident	85.8	Confident	28 Å²	28	49 Å²	49	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	-120	178.1	0	0	0	0	0	111.4	R668 F674 K744 E745	R668-G747 VanDerWaalsContact CZ-O 3.22Å; R668-G747 PolarHBondContact NE-O 2.97Å; R668-G747 PolarHBondContact NH2-O 3.04Å; F674-G747 WeakPolarHBondContact CZ-O 3.42Å; K744-G747 PolarHBondContact O-N 3Å; K744-G747 VanDerWaalsContact O-N 3.09Å; E745-G747 PolarHBondContact O-N 2.78Å; E745-G747 VanDerWaalsContact O-N 3.1Å
748	N	87.8	Confident	84.8	Confident	65 Å²	65	49.6 Å²	49.6	35%	0.348	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-2.9	-173.7	-66.4	-3.8	0	0	0	113.9	R667 R668 E670 A746	R667-N748 WeakPolarHBondContact CA-O 3.45Å; R668-N748 PolarHBondContact N-O 3.28Å; E670-N748 WeakPolarHBondContact CG-ND2 3.5Å; A746-N748 PolarHBondContact O-N 3.48Å
749	T	87.8	Confident	83.3	Confident	41 Å²	41	53.8 Å²	53.8	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	124.3	-177.7	-62.6	0	0	0	0	110.5	E665 I666 R667 A746	E665-T749 HydrophobicContact CG-CG2 3.63Å; E665-T749 WeakPolarHBondContact OE1-CG2 2.75Å; I666-T749 WeakPolarHBondContact O-CA 3.25Å; R667-T749 HydrophobicContact CG-CG2 3.98Å; A746-T749 PolarHBondContact O-N 2.89Å
750	V	93	Very high	81.4	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.9	-179.4	69.6	0	0	0	0	110.4	E665 I666 F674 V726 N727 I743 A746 L752	E665-V750 WeakPolarHBondContact CA-O 3.28Å; I666-V750 HydrophobicContact CB-CG1 4.07Å; I666-V750 PolarHBondContact N-O 3.26Å; I666-V750 PolarHBondContact O-N 3.44Å; F674-V750 HydrophobicContact CD1-CG1 3.71Å; F674-V750 HydrophobicContact CD2-CG1 4.02Å; F674-V750 HydrophobicContact CE1-CB 4.11Å; F674-V750 HydrophobicContact CE1-CG1 3.59Å; F674-V750 HydrophobicContact CE2-CB 4.07Å; F674-V750 HydrophobicContact CE2-CG1 3.9Å; F674-V750 HydrophobicContact CG-CG1 3.93Å; F674-V750 HydrophobicContact CZ-CB 3.77Å; F674-V750 HydrophobicContact CZ-CG1 3.68Å; V726-V750 HydrophobicContact CG1-CG2 3.62Å; N727-V750 WeakPolarHBondContact OD1-CA 3.35Å; I743-V750 HydrophobicContact CG1-CG2 4.42Å; A746-V750 HydrophobicContact CB-CB 3.8Å; A746-V750 HydrophobicContact CB-CG2 3.83Å; V750-L752 HydrophobicContact CG1-CD2 4.48Å; V750-L752 HydrophobicContact CG2-CD2 3.87Å
751	T	90.9	Very high	79.7	Confident	49 Å²	49	59.3 Å²	59.3	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.7	174.5	-51.9	0	0	0	0	109	D663 V664 V726 N727	D663-T751 HydrophobicContact CB-CG2 4.26Å; V664-T751 CarbonylContact O-C 3.58Å; V664-T751 WeakPolarHBondContact O-CA 3.46Å; V726-T751 CarbonylContact C-O 3.5Å; N727-T751 PolarHBondContact N-O 3.15Å; N727-T751 PolarHBondContact OD1-N 3.01Å
752	L	92.7	Very high	77.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.6	179.3	-52.8	177	0	0	0	109.8	D663 V664 I666 F676 L717 A725 V726 V750 I754	D663-L752 CarbonylContact C-O 3.58Å; D663-L752 WeakPolarHBondContact CA-O 3.39Å; V664-L752 PolarHBondContact N-O 3.03Å; V664-L752 PolarHBondContact O-N 3.05Å; I666-L752 HydrophobicContact CD1-CD1 3.69Å; I666-L752 HydrophobicContact CD1-CG 4.46Å; F676-L752 HydrophobicContact CE1-CD1 4Å; F676-L752 HydrophobicContact CE2-CD1 3.87Å; F676-L752 HydrophobicContact CZ-CD1 3.49Å; F676-L752 VanDerWaalsContact CZ-CD1 3.49Å; F676-L752 HydrophobicContact CZ-CD2 4.24Å; F676-L752 HydrophobicContact CZ-CG 4.45Å; L717-L752 HydrophobicContact CD1-CD1 4.11Å; A725-L752 WeakPolarHBondContact O-CA 3.37Å; V726-L752 HydrophobicContact CB-CD2 4.47Å; V726-L752 HydrophobicContact CG1-CD2 4.34Å; V726-L752 HydrophobicContact CG2-CD2 3.9Å; V750-L752 HydrophobicContact CG1-CD2 4.48Å; V750-L752 HydrophobicContact CG2-CD2 3.87Å; L752-I754 HydrophobicContact CB-CD1 3.69Å; L752-I754 HydrophobicContact CB-CG1 4.13Å; L752-I754 HydrophobicContact CD1-CD1 4.36Å
753	R	89.5	Confident	75.4	Confident	117 Å²	117	61.2 Å²	61.2	44%	0.442	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.1	167.8	-168.8	156.8	-169.2	-161.1	2.8	109.2	P661 D663 L724 A725	P661-R753 HydrophobicContact CB-CG 4.3Å; D663-R753 WeakPolarHBondContact OD1-CA 3.2Å; D663-R753 WeakPolarHBondContact OD1-CB 3.3Å; D663-R753 WeakPolarHBondContact OD1-CD 3.47Å; D663-R753 WeakPolarHBondContact OD1-CG 3.17Å; D663-R753 IonicContact OD1-NE 2.74Å; L724-R753 HydrophobicContact CB-CB 4.35Å; L724-R753 HydrophobicContact CB-CG 4.39Å; L724-R753 HydrophobicContact CD1-CG 4.43Å; L724-R753 PolarHBondContact N-O 3.31Å; A725-R753 HydrophobicContact CB-CB 3.89Å; A725-R753 PolarHBondContact N-O 2.74Å; A725-R753 PolarHBondContact O-N 3.31Å
754	I	91	Very high	73.1	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.4	-166.4	-56.6	-60.6	0	0	0	111.1	P661 Y662 V664 I702 L717 D721 R722 I723 L752	P661-I754 CarbonylContact C-O 3.45Å; P661-I754 WeakPolarHBondContact CA-O 3.36Å; P661-I754 WeakPolarHBondContact CB-O 3.27Å; Y662-I754 HydrophobicContact CD1-CB 4.14Å; Y662-I754 HydrophobicContact CD1-CG2 4.39Å; Y662-I754 WeakPolarHBondContact CD1-O 3.38Å; Y662-I754 HydrophobicContact CE1-CB 3.65Å; Y662-I754 HydrophobicContact CE1-CG2 3.49Å; Y662-I754 VanDerWaalsContact CE1-CG2 3.49Å; Y662-I754 HydrophobicContact CE2-CB 4.44Å; Y662-I754 PolarHBondContact N-O 3.06Å; Y662-I754 PolarHBondContact O-N 2.99Å; V664-I754 HydrophobicContact CB-CG1 4.43Å; V664-I754 HydrophobicContact CG2-CG1 3.91Å; I702-I754 HydrophobicContact CD1-CD1 4.1Å; L717-I754 HydrophobicContact CD1-CD1 3.8Å; L717-I754 HydrophobicContact CD1-CG1 3.96Å; D721-I754 HydrophobicContact CB-CG2 3.57Å; R722-I754 WeakPolarHBondContact O-CA 3.42Å; I723-I754 HydrophobicContact CB-CD1 4.33Å; I723-I754 HydrophobicContact CG1-CD1 3.77Å; I723-I754 HydrophobicContact CG2-CD1 4.49Å; L752-I754 HydrophobicContact CB-CD1 3.69Å; L752-I754 HydrophobicContact CB-CG1 4.13Å; L752-I754 HydrophobicContact CD1-CD1 4.36Å
755	I	87.4	Confident	71.1	Confident	48 Å²	48	63 Å²	63	25%	0.246	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.8	156.7	-58.2	169.2	0	0	0	107.5	V659 P661 R722 L724 G757	V659-I755 HydrophobicContact CG1-CG2 4.34Å; P661-I755 HydrophobicContact CB-CG1 4.08Å; P661-I755 HydrophobicContact CG-CG1 4.09Å; R722-I755 PolarHBondContact N-O 3.07Å; R722-I755 PolarHBondContact O-N 2.99Å; L724-I755 HydrophobicContact CD1-CD1 3.83Å; L724-I755 HydrophobicContact CD1-CG1 3.69Å; L724-I755 HydrophobicContact CD2-CD1 3.78Å; L724-I755 HydrophobicContact CD2-CG1 4.4Å; L724-I755 HydrophobicContact CG-CD1 3.83Å; L724-I755 HydrophobicContact CG-CG1 3.88Å; I755-G757 PolarHBondContact O-N 3.23Å
756	P	83.2	Confident	68.9	Low	48 Å²	48	61.4 Å²	61.4	31%	0.312	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-49.1	134.4	168.4	-26.8	32.5	0	0	0	112.6	V659 Y662 D721	V659-P756 HydrophobicContact CG1-CB 3.84Å; V659-P756 VanDerWaalsContact CG1-CD 3.43Å; V659-P756 HydrophobicContact CG1-CG 3.49Å; V659-P756 VanDerWaalsContact CG1-CG 3.49Å; Y662-P756 HydrophobicContact CD1-CG 3.99Å; Y662-P756 HydrophobicContact CE1-CG 3.64Å; D721-P756 WeakPolarHBondContact OD1-CA 3.31Å
757	G	74.1	Confident	66.8	Low	17 Å²	17	66.4 Å²	66.4	18%	0.175	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-84.9	132.6	177.5	0	0	0	0	0	113.6	G720 D721 I755 E759	G720-G757 WeakPolarHBondContact O-CA 3.41Å; D721-G757 PolarHBondContact OD1-N 3.44Å; I755-G757 PolarHBondContact O-N 3.23Å; G757-E759 PolarHBondContact O-N 2.88Å
758	D	58.3	Low	64.5	Low	87 Å²	87	70.8 Å²	70.8	47%	0.465	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-63.5	125.6	170.9	-49	-72.8	0	0	0	111	R722 S760 S761	R722-D758 IonicContact NH2-OD2 3Å; D758-S760 PolarHBondContact O-N 2.63Å; D758-S760 VanDerWaalsContact O-N 3.09Å; D758-S761 WeakPolarHBondContact O-CB 3.3Å; D758-S761 PolarHBondContact O-N 3.32Å; D758-S761 PolarHBondContact O-OG 2.78Å
759	E	51.3	Low	61.9	Low	160 Å²	160	68.3 Å²	68.3	75%	0.748	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.2	-169.7	-61.3	-156.7	114.7	0	0	114.3	G757 S761 N762	G757-E759 PolarHBondContact O-N 2.88Å; E759-S761 PolarHBondContact O-N 2.91Å; E759-N762 PolarHBondContact O-N 3.15Å
760	S	45.5	Very low	59.3	Low	110 Å²	110	72.4 Å²	72.4	77%	0.769	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-57.9	-16.3	170.9	52.8	0	0	0	0	113.9	D758 N762	D758-S760 PolarHBondContact O-N 2.63Å; D758-S760 VanDerWaalsContact O-N 3.09Å; S760-N762 PolarHBondContact O-N 2.82Å
761	S	48.4	Very low	56.7	Low	47 Å²	47	78 Å²	78	33%	0.329	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-88.6	13.6	-177.9	-56.2	0	0	0	0	115	K701 D758 E759	K701-S761 PolarHBondContact NZ-O 3Å; D758-S761 WeakPolarHBondContact O-CB 3.3Å; D758-S761 PolarHBondContact O-N 3.32Å; D758-S761 PolarHBondContact O-OG 2.78Å; E759-S761 PolarHBondContact O-N 2.91Å
762	N	43.5	Very low	54.1	Low	49 Å²	49	81.1 Å²	81.1	26%	0.262	45%	0.45	S	S	.	.			trans	-108.8	-12.3	-166.7	-73.1	-16.4	0	0	0	116.4	K701 E759 S760	K701-N762 PolarHBondContact NZ-OD1 2.83Å; E759-N762 PolarHBondContact O-N 3.15Å; S760-N762 PolarHBondContact O-N 2.82Å
763	A	35.8	Very low	51.1	Low	93 Å²	93	84.9 Å²	84.9	77%	0.769	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.5	-176.2	0	0	0	0	0	114.9
764	T	39.4	Very low	48.4	Very low	118 Å²	118	85.2 Å²	85.2	72%	0.724	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2	-163.6	-23.1	0	0	0	0	115.4
765	L	42.9	Very low	45.6	Very low	77 Å²	77	92.9 Å²	92.9	40%	0.403	54%	0.535	S	S	.	.	S	Bend	trans	-117.1	-7.6	-166.9	-68.5	175.1	0	0	0	115.8	K701 T767	K701-L765 HydrophobicContact CD-CD1 4.09Å; L765-T767 VanDerWaalsContact C-N 3.3Å; L765-T767 PolarHBondContact O-N 3.04Å
766	L	37.3	Very low	42.9	Very low	119 Å²	119	96.9 Å²	96.9	62%	0.623	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-68.4	-25.5	-175	-74.9	165.2	0	0	0	113.8	N768	L766-N768 VanDerWaalsContact C-N 3.31Å; L766-N768 PolarHBondContact O-N 2.9Å
767	T	39.1	Very low	40.4	Very low	121 Å²	121	100.8 Å²	100.8	74%	0.742	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-72.3	-14.4	-176.8	51.8	0	0	0	0	115.3	L765	L765-T767 VanDerWaalsContact C-N 3.3Å; L765-T767 PolarHBondContact O-N 3.04Å
768	N	34.9	Very low	38.1	Very low	120 Å²	120	106.5 Å²	106.5	64%	0.642	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-112.2	-8.7	-174.2	-75.1	-55.7	0	0	0	114.4	L766 E770	L766-N768 VanDerWaalsContact C-N 3.31Å; L766-N768 PolarHBondContact O-N 2.9Å; N768-E770 VanDerWaalsContact C-N 3.35Å; N768-E770 PolarHBondContact O-N 3.08Å
769	A	34.4	Very low	36.7	Very low	13 Å²	13	110.6 Å²	110.6	11%	0.107	63%	0.633	C	S	.	*	G	3₁₀ helix	trans	-80	-10.2	-172.2	0	0	0	0	0	114.8
770	E	33.1	Very low	35.6	Very low	127 Å²	127	108.1 Å²	108.1	59%	0.593	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-72.9	-30.8	-177.7	-128.3	89	-92.7	0	0	113.8	R704 N768 I772	R704-E770 IonicContact CZ-OE1 3.47Å; R704-E770 IonicContact NH1-OE1 3.6Å; R704-E770 PolarHBondContact NH1-OE1 2.83Å; R704-E770 IonicContact NH2-OE1 2.71Å; R704-E770 PolarHBondContact NH2-OE1 3.06Å; N768-E770 VanDerWaalsContact C-N 3.35Å; N768-E770 PolarHBondContact O-N 3.08Å; E770-I772 PolarHBondContact O-N 3.37Å
771	K	37.6	Very low	34.9	Very low	117 Å²	117	108.8 Å²	108.8	51%	0.509	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-92.9	24.4	-163.8	-67.8	-155.6	167.6	-157.2	0	116
772	I	36.8	Very low	33.9	Very low	116 Å²	116	112.5 Å²	112.5	60%	0.595	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-122.2	-5.4	-175.9	-55.5	-179.1	0	0	0	112.4	V677 E770 T774	V677-I772 HydrophobicContact CG1-CD1 4.45Å; V677-I772 HydrophobicContact CG1-CG2 4.42Å; E770-I772 PolarHBondContact O-N 3.37Å; I772-T774 PolarHBondContact O-N 2.78Å
773	A	30.3	Very low	33.3	Very low	78 Å²	78	118 Å²	118	65%	0.645	68%	0.681	S	S	*	*			trans	-93.2	31.8	-162.1	0	0	0	0	0	117.2
774	T	32.3	Very low	32.9	Very low	125 Å²	125	122.4 Å²	122.4	77%	0.767	69%	0.686	S	S	*	*			trans	-134.1	20.3	-169.9	-20.2	0	0	0	0	117.2	I772	I772-T774 PolarHBondContact O-N 2.78Å
775	I	32.3	Very low	32.2	Very low	160 Å²	160	120.3 Å²	120.3	82%	0.821	69%	0.688	S	S	*	*	S	Bend	trans	-130.8	53.2	179.5	-36.3	-179.4	0	0	0	114.6
776	T	30.8	Very low	31.4	Very low	133 Å²	133	123.2 Å²	123.2	82%	0.816	71%	0.709	S	S	*	*			trans	-163	103.8	147.3	6.5	0	0	0	0	112.4
777	T	30.6	Very low	30.9	Very low	129 Å²	129	127 Å²	127	79%	0.791	72%	0.723	S	S	*	*			trans	179.2	122.9	145	-76.9	0	0	0	0	108.5
778	T	25.7	Very low	30.3	Very low	138 Å²	138	129.4 Å²	129.4	85%	0.847	73%	0.726	S	S	*	*			trans	-145	114	170.2	-52.5	0	0	0	0	109.8
779	H	28	Very low	29.9	Very low	173 Å²	173	130.8 Å²	130.8	80%	0.801	74%	0.739	S	S	*	*			trans	-149.2	156.6	151.4	-131.8	-84.3	0	0	0	113.6
780	T	29.5	Very low	29.5	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	77%	0.774	S	S	*	*			trans	-49.6	144.9	-170.4	49.9	0	0	0	0	118.3
781	P	30.8	Very low	29.2	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	78%	0.782	S	S	*	*			trans	-83.1	157.7	169.2	36.5	-36.3	0	0	0	113.1
782	S	27.3	Very low	28.8	Very low	126 Å²	126	141.9 Å²	141.9	88%	0.881	79%	0.794	S	S	*	*			trans	-155.4	148.5	165.4	-81.6	0	0	0	0	112.7
783	Q	30.5	Very low	28.3	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	81%	0.805	S	S	*	*			trans	-60.6	172.3	-156.5	-55.6	176.7	1.8	0	0	119.6
784	Q	27.6	Very low	28.1	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	82%	0.815	S	S	*	*			trans	78.6	141.3	160.2	-65.9	159.4	34.4	0	0	116.3
785	G	25.1	Very low	28.1	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	82%	0.819	S	S	*	*			cis	-168.9	179.7	0.9	0	0	0	0	0	115.4
786	T	25.6	Very low	27.7	Very low	139 Å²	139	149.8 Å²	149.8	85%	0.853	82%	0.818	S	S	*	*			trans	-45	143.8	-179.2	48.3	0	0	0	0	117.8
787	Q	27.6	Very low	27.6	Very low	198 Å²	198	150.2 Å²	150.2	93%	0.925	81%	0.811	S	S	*	*				-159.3	168.8	123.1	-115.7	172.1	-3	0	0	113
788	E	26.6	Very low	27.2	Very low	171 Å²	171	151 Å²	151	80%	0.799	81%	0.805	S	S	*	*			trans	-105.8	154.9	-166.2	-53.5	164.6	105.4	0	0	112
789	T	26.1	Very low	27.4	Very low	149 Å²	149	149.6 Å²	149.6	91%	0.914	80%	0.801	S	S	*	*				177.1	158.5	110.9	31.4	0	0	0	0	115.4
790	R	26.3	Very low	27.4	Very low	224 Å²	224	148 Å²	148	85%	0.845	79%	0.794	S	S	*	*			trans	-63	160.1	-175.5	-119.6	177	154.3	153.6	-4.8	117.6
791	N	26.7	Very low	27.4	Very low	142 Å²	142	152.2 Å²	152.2	76%	0.759	80%	0.804	S	S	*	*			trans	109.3	130.4	134.4	-73.2	-11.8	0	0	0	122.1
792	T	27.9	Very low	27.2	Very low	125 Å²	125	152.8 Å²	152.8	77%	0.767	80%	0.796	S	S	*	*			trans	-55.7	142	167.2	-48.4	0	0	0	0	115.7
793	T	26.9	Very low	27.2	Very low	133 Å²	133	154.1 Å²	154.1	82%	0.816	79%	0.786	S	S	*	*				179.8	152.7	122.8	24.5	0	0	0	0	113.6
794	K	26.4	Very low	27.1	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	79%	0.785	S	S	*	*			trans	-102.1	154.3	154.1	-70.5	-175.5	177.6	179.9	0	108
795	P	31.5	Very low	27.4	Very low	132 Å²	132	150 Å²	150	86%	0.857	78%	0.779	S	S	*	*				-129.1	-154.3	104.5	14.6	6.6	0	0	0	113.4
796	K	25.2	Very low	28.2	Very low	184 Å²	184	152 Å²	152	80%	0.8	78%	0.778	S	S	*	*			trans	-148.9	178.8	-157.1	-163.3	-167.3	174.5	-165.5	0	110.6
797	Q	27	Very low	28.4	Very low	143 Å²	143	154 Å²	154	67%	0.668	78%	0.778	S	S	*	*			trans	82.2	147.6	165.5	-61.6	172.4	-98.6	0	0	115.5
798	E	22.7	Very low	29	Very low	144 Å²	144	149.2 Å²	149.2	67%	0.673	77%	0.772	S	S	*	*			cis	-148.9	-178.2	4.6	-152.3	100.5	-106.9	0	0	112.4
799	S	30.5	Very low	29.4	Very low	109 Å²	109	148 Å²	148	76%	0.762	78%	0.777	S	S	*	*			trans	65.1	113.6	174.5	64.9	0	0	0	0	116.4
800	Q	27.8	Very low	30	Very low	141 Å²	141	149.1 Å²	149.1	66%	0.659	77%	0.772	S	S	*	*			cis	82.3	100.7	17.6	-160.4	-176.5	9	0	0	116.8
801	F	28.4	Very low	30.9	Very low	195 Å²	195	147.7 Å²	147.7	86%	0.855	78%	0.775	S	S	*	*				-160.8	173.7	117.5	-113	-78.1	0	0	0	110.2
802	E	26.7	Very low	32.2	Very low	136 Å²	136	145.7 Å²	145.7	64%	0.636	76%	0.761	S	S	*	*				-141.5	-178.8	-128.3	-143.3	-176.6	110.3	0	0	117.2
803	F	28.5	Very low	34.8	Very low	153 Å²	153	145.3 Å²	145.3	67%	0.671	75%	0.754	S	S	*	*			trans	75.4	137.4	174.8	-90.7	-134.5	0	0	0	117.8
804	K	27.6	Very low	37.8	Very low	175 Å²	175	143.8 Å²	143.8	76%	0.761	74%	0.736	S	S	*	*			cis	-154.9	158.2	-14.8	-138.7	-174.9	-167.6	178.9	0	109.8
805	A	34.8	Very low	41	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	70%	0.703	S	S	*	*			trans	-87.7	175	-168.9	0	0	0	0	0	115.2
806	P	41.8	Very low	44	Very low	114 Å²	114	132.5 Å²	132.5	74%	0.74	68%	0.678	S	S	*	*				-140.9	146.7	81.7	38.7	-23.9	0	0	0	118.2
807	Q	30.1	Very low	47.2	Very low	181 Å²	181	124 Å²	124	85%	0.846	64%	0.641	S	S	*	*			trans	56	112.5	139.8	-67.5	174.8	-38.1	0	0	123.6
808	A	39.9	Very low	50.4	Low	98 Å²	98	121.8 Å²	121.8	81%	0.81	63%	0.631	S	S	*	*				50.3	130.1	121.6	0	0	0	0	0	122.8
809	T	35	Very low	53.7	Low	147 Å²	147	115 Å²	115	90%	0.902	60%	0.599	S	S	*	*			trans	-141.8	144	150.8	-52.9	0	0	0	0	108.3
810	Q	38.8	Very low	56.6	Low	171 Å²	171	116 Å²	116	80%	0.799	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-78.1	142.8	-169.6	-66.4	164.2	-32.8	0	0	113.4
811	E	45.5	Very low	59.6	Low	194 Å²	194	115.4 Å²	115.4	91%	0.907	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-71.1	135	155.6	-63.9	-175.4	134.4	0	0	108.9
812	Q	53.3	Low	62.3	Low	100 Å²	100	107.4 Å²	107.4	47%	0.467	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-101.9	126.4	175.3	-69.6	-175.4	6.4	0	0	109.9	F814 K895	Q812-F814 HydrophobicContact CB-CD2 4.39Å; Q812-F814 HydrophobicContact CB-CE2 3.67Å; Q812-F814 HydrophobicContact CB-CZ 3.79Å; Q812-F814 WeakPolarHBondContact O-CD2 3.39Å; Q812-F814 WeakPolarHBondContact O-CE2 3.29Å; Q812-F814 PolarHBondContact O-N 2.8Å; Q812-F814 VanDerWaalsContact O-N 3.1Å; Q812-K895 VanDerWaalsContact OE1-CE 3.27Å
813	D	81.8	Confident	64.8	Low	118 Å²	118	106.6 Å²	106.6	63%	0.631	57%	0.573	S	S	*	*			trans	-71.1	101.6	-179.9	-88.8	-25.7	0	0	0	111.6	K895 R896	D813-K895 WeakPolarHBondContact O-CA 3.22Å; D813-R896 HydrophobicContact CB-CB 3.9Å; D813-R896 HydrophobicContact CB-CG 3.47Å; D813-R896 VanDerWaalsContact CB-CG 3.47Å; D813-R896 PolarHBondContact O-N 3.49Å
814	F	91.4	Very high	67.4	Low	100 Å²	100	109.3 Å²	109.3	44%	0.439	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	138.1	170.7	-54.2	-82.8	0	0	0	111.5	Q812 L864 F893 L894 K895	Q812-F814 HydrophobicContact CB-CD2 4.39Å; Q812-F814 HydrophobicContact CB-CE2 3.67Å; Q812-F814 HydrophobicContact CB-CZ 3.79Å; Q812-F814 WeakPolarHBondContact O-CD2 3.39Å; Q812-F814 WeakPolarHBondContact O-CE2 3.29Å; Q812-F814 PolarHBondContact O-N 2.8Å; Q812-F814 VanDerWaalsContact O-N 3.1Å; F814-L864 HydrophobicContact CD1-CD1 3.56Å; F814-L864 HydrophobicContact CE1-CD1 3.61Å; F814-F893 HydrophobicContact CB-CE1 4.26Å; F814-F893 HydrophobicContact CB-CE2 4.07Å; F814-F893 HydrophobicContact CB-CZ 3.57Å; F814-F893 HydrophobicContact CD1-CE1 4.36Å; F814-F893 HydrophobicContact CD1-CZ 4.47Å; F814-F893 HydrophobicContact CG-CZ 4.25Å; F814-L894 CarbonylContact C-O 3.6Å; F814-L894 WeakPolarHBondContact CA-O 3.46Å; F814-K895 HydrophobicContact CD1-CB 3.67Å; F814-K895 HydrophobicContact CD1-CD 4.39Å; F814-K895 HydrophobicContact CD1-CG 4.15Å; F814-K895 HydrophobicContact CE1-CB 3.78Å; F814-K895 HydrophobicContact CE1-CD 3.68Å; F814-K895 HydrophobicContact CE1-CG 3.94Å; F814-K895 HydrophobicContact CZ-CD 4.24Å
815	Y	93.3	Very high	70.3	Confident	39 Å²	39	102 Å²	102	15%	0.153	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.6	154.7	-179.6	60.9	-75.8	0	0	0	112.9	V817 K856 D861 F893 L894 R896	Y815-V817 HydrophobicContact CD2-CG2 3.69Å; Y815-V817 HydrophobicContact CE2-CG2 3.56Å; Y815-K856 HydrophobicContact CE2-CB 4.28Å; Y815-D861 PolarHBondContact OH-OD1 2.88Å; Y815-D861 VanDerWaalsContact OH-OD1 3.1Å; Y815-D861 PolarHBondContact OH-OD2 2.8Å; Y815-F893 WeakPolarHBondContact O-CD2 3.35Å; Y815-L894 HydrophobicContact CE1-CB 4.16Å; Y815-L894 HydrophobicContact CE2-CB 4.24Å; Y815-L894 HydrophobicContact CE2-CD1 4.21Å; Y815-L894 PolarHBondContact N-O 2.91Å; Y815-L894 PolarHBondContact O-N 2.82Å; Y815-R896 HydrophobicContact CD1-CG 4.39Å; Y815-R896 HydrophobicContact CE1-CG 3.83Å; Y815-R896 PolarHBondContact OH-NH1 2.8Å
816	T	93.5	Very high	73	Confident	52 Å²	52	98.4 Å²	98.4	32%	0.319	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.8	173.9	-62.9	0	0	0	0	110.6	R891 L892	T816-R891 HydrophobicContact CG2-CG 3.76Å; T816-R891 VanDerWaalsContact CG2-NE 3.27Å; T816-L892 WeakPolarHBondContact CA-O 3.11Å
817	V	93.9	Very high	75.4	Confident	5 Å²	5	93.5 Å²	93.5	3%	0.03	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.6	166.3	-178.1	0	0	0	0	109.4	Y815 L819 C854 K856 M857 L892 L894	Y815-V817 HydrophobicContact CD2-CG2 3.69Å; Y815-V817 HydrophobicContact CE2-CG2 3.56Å; V817-L819 HydrophobicContact CG1-CD2 3.55Å; V817-L819 HydrophobicContact CG1-CG 4.01Å; V817-C854 HydrophobicContact CG1-CB 4.23Å; V817-K856 HydrophobicContact CG2-CB 3.74Å; V817-K856 HydrophobicContact CG2-CD 4.45Å; V817-M857 HydrophobicContact CB-CG 4.26Å; V817-M857 HydrophobicContact CB-SD 4.42Å; V817-M857 HydrophobicContact CG1-CG 4.12Å; V817-M857 HydrophobicContact CG1-SD 4.08Å; V817-M857 HydrophobicContact CG2-CG 3.94Å; V817-L892 PolarHBondContact N-O 2.74Å; V817-L892 PolarHBondContact O-N 3.2Å; V817-L894 HydrophobicContact CB-CD1 4.02Å; V817-L894 HydrophobicContact CG2-CD1 3.84Å
818	E	93	Very high	78.4	Confident	96 Å²	96	86.4 Å²	86.4	45%	0.449	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	167.5	-68.2	-165	-173	0	0	109.6	R889 V890 R891	E818-R889 IonicContact OE2-CZ 3.74Å; E818-R889 IonicContact OE2-NE 2.79Å; E818-R889 IonicContact OE2-NH2 3.76Å; E818-R889 PolarHBondContact OE2-NH2 3.38Å; E818-V890 WeakPolarHBondContact CA-O 3.28Å; E818-R891 HydrophobicContact CG-CB 3.98Å; E818-R891 HydrophobicContact CG-CG 3.88Å
819	L	92.9	Very high	80.9	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.016	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.6	-179.4	-56.8	-178.8	0	0	0	110.8	V817 F826 F828 A851 C854 M857 R889 V890 L892	V817-L819 HydrophobicContact CG1-CD2 3.55Å; V817-L819 HydrophobicContact CG1-CG 4.01Å; L819-F826 HydrophobicContact CB-CD1 3.9Å; L819-F826 HydrophobicContact CD1-CB 4.15Å; L819-F826 WeakPolarHBondContact O-CE1 3.23Å; L819-F828 HydrophobicContact CD1-CD1 3.8Å; L819-F828 HydrophobicContact CD1-CE1 3.86Å; L819-A851 HydrophobicContact CD1-CB 3.64Å; L819-A851 HydrophobicContact CD2-CB 4.43Å; L819-C854 HydrophobicContact CD2-CB 3.72Å; L819-M857 HydrophobicContact CD1-SD 3.8Å; L819-M857 HydrophobicContact CD2-SD 4.44Å; L819-M857 HydrophobicContact CG-SD 4.4Å; L819-R889 VanDerWaalsContact O-CA 3.28Å; L819-R889 WeakPolarHBondContact O-CA 3.34Å; L819-V890 HydrophobicContact CB-CG1 3.98Å; L819-V890 HydrophobicContact CD1-CG1 4.41Å; L819-V890 PolarHBondContact N-O 3.08Å; L819-V890 PolarHBondContact O-N 3.27Å; L819-L892 HydrophobicContact CD1-CD1 4.28Å
820	E	90.5	Very high	83.7	Confident	129 Å²	129	78.7 Å²	78.7	60%	0.603	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.8	168.4	-55	-142.8	129.4	0	0	110.9	G822 P850 R889	E820-G822 PolarHBondContact O-N 2.79Å; E820-P850 VanDerWaalsContact O-CB 3.23Å; E820-P850 WeakPolarHBondContact O-CB 3.24Å; E820-P850 WeakPolarHBondContact O-CG 3.33Å; E820-R889 HydrophobicContact CG-CG 4.03Å; E820-R889 WeakPolarHBondContact OE1-CD 3.48Å; E820-R889 IonicContact OE1-NH1 3.84Å
821	R	91.4	Very high	86.2	Confident	128 Å²	128	74.2 Å²	74.2	48%	0.483	38%	0.383	S	S	.	.			trans	-78.8	107.3	-173.6	-170.5	170.9	176.2	164.6	-0.1	111.4	F826 G887 R888	R821-F826 HydrophobicContact CB-CD1 4.08Å; R821-F826 HydrophobicContact CB-CE1 3.56Å; R821-F826 HydrophobicContact CB-CZ 3.85Å; R821-F826 HydrophobicContact CG-CE1 4.25Å; R821-F826 HydrophobicContact CG-CE2 4.46Å; R821-F826 HydrophobicContact CG-CZ 4.2Å; R821-G887 WeakPolarHBondContact CD-O 3.36Å; R821-G887 PolarHBondContact NH1-O 3.36Å; R821-R888 VanDerWaalsContact CB-O 3.31Å; R821-R888 WeakPolarHBondContact CB-O 3.13Å; R821-R888 PolarHBondContact N-O 3.17Å
822	G	84.6	Confident	88.4	Confident	28 Å²	28	65 Å²	65	29%	0.289	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-76.2	178.2	171.4	0	0	0	0	0	113.2	E820 K824 G825	E820-G822 PolarHBondContact O-N 2.79Å; G822-K824 PolarHBondContact O-N 2.75Å; G822-G825 WeakPolarHBondContact CA-O 3.28Å; G822-G825 PolarHBondContact N-O 2.69Å; G822-G825 PolarHBondContact O-N 3.09Å
823	A	80	Confident	90.2	Very high	119 Å²	119	60.3 Å²	60.3	98%	0.983	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30	-177.9	0	0	0	0	0	114.2
824	K	82.2	Confident	90.6	Very high	210 Å²	210	62.9 Å²	62.9	91%	0.913	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	14.9	175.1	-61.5	179.8	-177.3	171.9	0	113.3	G822	G822-K824 PolarHBondContact O-N 2.75Å
825	G	88.4	Confident	90.5	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	91.9	-153.1	-171.2	0	0	0	0	0	112.9	G822	G822-G825 WeakPolarHBondContact CA-O 3.28Å; G822-G825 PolarHBondContact N-O 2.69Å; G822-G825 PolarHBondContact O-N 3.09Å
826	F	92.8	Very high	90.1	Very high	14 Å²	14	64.4 Å²	64.4	6%	0.061	33%	0.326	C	S	.	.	S	Bend	trans	-83.1	-10.3	-177.1	-61.7	-72.2	0	0	0	114.5	L819 R821 F828 P850 A851 I883 V890	L819-F826 HydrophobicContact CB-CD1 3.9Å; L819-F826 HydrophobicContact CD1-CB 4.15Å; L819-F826 WeakPolarHBondContact O-CE1 3.23Å; R821-F826 HydrophobicContact CB-CD1 4.08Å; R821-F826 HydrophobicContact CB-CE1 3.56Å; R821-F826 HydrophobicContact CB-CZ 3.85Å; R821-F826 HydrophobicContact CG-CE1 4.25Å; R821-F826 HydrophobicContact CG-CE2 4.46Å; R821-F826 HydrophobicContact CG-CZ 4.2Å; F826-F828 HydrophobicContact CB-CD1 3.84Å; F826-F828 HydrophobicContact CB-CE1 3.66Å; F826-F828 HydrophobicContact CG-CE1 4.43Å; F826-P850 WeakPolarHBondContact O-CB 3.39Å; F826-P850 WeakPolarHBondContact O-CD 3.43Å; F826-A851 WeakPolarHBondContact O-CB 3.27Å; F826-A851 PolarHBondContact O-N 2.89Å; F826-I883 HydrophobicContact CD2-CG2 3.54Å; F826-I883 HydrophobicContact CE2-CG2 3.69Å; F826-I883 WeakPolarHBondContact CE2-O 3.24Å; F826-V890 HydrophobicContact CB-CG1 4.46Å; F826-V890 HydrophobicContact CD1-CB 4.48Å; F826-V890 HydrophobicContact CD1-CG1 3.61Å; F826-V890 HydrophobicContact CD2-CG1 3.96Å; F826-V890 HydrophobicContact CE1-CB 4.07Å; F826-V890 HydrophobicContact CE1-CG1 3.67Å; F826-V890 HydrophobicContact CE2-CB 4.15Å; F826-V890 HydrophobicContact CE2-CG1 4.03Å; F826-V890 HydrophobicContact CG-CG1 3.75Å; F826-V890 HydrophobicContact CZ-CB 3.88Å; F826-V890 HydrophobicContact CZ-CG1 3.88Å
827	G	90.7	Very high	89.7	Confident	12 Å²	12	69 Å²	69	12%	0.124	35%	0.348	C	S	.	.	S	Bend	trans	78.6	26.1	173.4	0	0	0	0	0	115.6	A846	G827-A846 PolarHBondContact O-N 2.74Å
828	F	93.8	Very high	89.5	Confident	32 Å²	32	70 Å²	70	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.8	168	70.7	-83.4	0	0	0	111.1	L819 F826 V842 R844 L845 A851 M857 I863 I883 V890 L892	L819-F828 HydrophobicContact CD1-CD1 3.8Å; L819-F828 HydrophobicContact CD1-CE1 3.86Å; F826-F828 HydrophobicContact CB-CD1 3.84Å; F826-F828 HydrophobicContact CB-CE1 3.66Å; F826-F828 HydrophobicContact CG-CE1 4.43Å; F828-V842 HydrophobicContact CB-CG1 4.45Å; F828-R844 CarbonylContact C-O 3.59Å; F828-R844 WeakPolarHBondContact CA-O 3.18Å; F828-L845 HydrophobicContact CB-CD2 3.81Å; F828-A851 HydrophobicContact CB-CB 3.8Å; F828-A851 HydrophobicContact CD1-CB 4.03Å; F828-A851 HydrophobicContact CG-CB 4.36Å; F828-M857 HydrophobicContact CB-CE 4.11Å; F828-M857 HydrophobicContact CD1-CE 4.22Å; F828-M857 HydrophobicContact CD2-CE 4.19Å; F828-M857 HydrophobicContact CG-CE 3.93Å; F828-I863 HydrophobicContact CD2-CD1 4.43Å; F828-I863 HydrophobicContact CE2-CD1 3.85Å; F828-I883 HydrophobicContact CE2-CD1 4.07Å; F828-I883 HydrophobicContact CZ-CD1 3.83Å; F828-I883 HydrophobicContact CZ-CG1 4.4Å; F828-I883 HydrophobicContact CZ-CG2 4.48Å; F828-V890 HydrophobicContact CE1-CG1 4.45Å; F828-L892 HydrophobicContact CE1-CD1 3.84Å; F828-L892 HydrophobicContact CE2-CD1 4.29Å; F828-L892 HydrophobicContact CZ-CD1 3.68Å; F828-L892 HydrophobicContact CZ-CD2 4.37Å
829	S	92.8	Very high	89.3	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.8	174.8	-64	0	0	0	0	110.4	L843 R844	S829-L843 PolarHBondContact O-N 3.37Å; S829-R844 PolarHBondContact N-O 2.76Å
830	L	93.8	Very high	89.4	Confident	24 Å²	24	67.5 Å²	67.5	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.2	-176.2	-167.7	66.4	0	0	0	110.7	L840 I863 A879 I880 I883	L830-L840 HydrophobicContact CD1-CB 4.09Å; L830-L840 HydrophobicContact CD1-CD1 4.47Å; L830-L840 HydrophobicContact CD1-CD2 4.43Å; L830-L840 HydrophobicContact CD2-CD1 4.36Å; L830-L840 HydrophobicContact CD2-CD2 4.23Å; L830-L840 HydrophobicContact CG-CD2 4.29Å; L830-I863 HydrophobicContact CD1-CD1 3.64Å; L830-I863 HydrophobicContact CD1-CG1 4.46Å; L830-A879 HydrophobicContact CD2-CB 3.74Å; L830-I880 HydrophobicContact CD2-CG1 4.39Å; L830-I883 HydrophobicContact CD2-CD1 4.36Å
831	R	91.2	Very high	89.6	Confident	77 Å²	77	63.2 Å²	63.2	29%	0.291	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.5	169	-178.8	173.9	165.8	98.9	-2.4	109.8	M838 L840 Y841 L843 V901 P902 Y904	R831-M838 HydrophobicContact CG-CE 3.75Å; R831-L840 WeakPolarHBondContact O-CA 3.31Å; R831-Y841 PolarHBondContact N-O 2.83Å; R831-Y841 PolarHBondContact O-N 2.98Å; R831-L843 HydrophobicContact CB-CB 3.93Å; R831-L843 HydrophobicContact CB-CD1 4.38Å; R831-L843 HydrophobicContact CB-CD2 4.15Å; R831-L843 HydrophobicContact CB-CG 4.36Å; R831-V901 HydrophobicContact CB-CG1 4.45Å; R831-V901 HydrophobicContact CG-CG1 4.43Å; R831-P902 PolarHBondContact NE-O 2.87Å; R831-Y904 VanDerWaalsContact NH2-CB 3.33Å
832	G	91.8	Very high	89.7	Confident	2 Å²	2	57.1 Å²	57.1	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-174	-177.6	0	0	0	0	0	112.9	M838 D839 L840 H876	G832-M838 VanDerWaalsContact CA-CE 3.43Å; G832-D839 WeakPolarHBondContact CA-O 3.48Å; G832-L840 VanDerWaalsContact C-CD2 3.47Å; G832-L840 WeakPolarHBondContact O-CD2 3.48Å; G832-H876 WeakPolarHBondContact O-CB 3.4Å; G832-H876 PolarHBondContact O-ND1 3.22Å
833	G	90.9	Very high	90.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.6	158.6	-169.3	0	0	0	0	0	110	E835 Y836 N837 M838	G833-E835 PolarHBondContact O-N 3.45Å; G833-Y836 CarbonylContact O-C 3.46Å; G833-Y836 WeakPolarHBondContact O-CA 3.06Å; G833-Y836 PolarHBondContact O-N 3.45Å; G833-N837 PolarHBondContact O-N 3.19Å; G833-M838 CarbonylContact C-O 3.51Å; G833-M838 VanDerWaalsContact C-O 3.26Å; G833-M838 WeakPolarHBondContact CA-O 3.4Å; G833-M838 PolarHBondContact N-O 3.04Å; G833-M838 PolarHBondContact O-N 3.15Å; G833-M838 VanDerWaalsContact O-O 3.1Å
834	R	90.2	Very high	90.6	Very high	171 Å²	171	60.7 Å²	60.7	65%	0.645	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.8	-177.4	-177.9	178	169.8	-152.8	-6.4	113.5	Y836 N837 N873 M874	R834-Y836 PolarHBondContact O-N 2.94Å; R834-N837 PolarHBondContact O-N 2.86Å; R834-N873 WeakPolarHBondContact CB-O 3.38Å; R834-N873 VanDerWaalsContact CD-O 3.26Å; R834-N873 WeakPolarHBondContact CD-O 3.17Å; R834-M874 PolarHBondContact N-O 3.15Å
835	E	88.3	Confident	91.1	Very high	70 Å²	70	52.3 Å²	52.3	33%	0.327	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.6	-3.9	174.7	65.5	-87.9	-111.1	0	0	114	G833 K875 H876 S877	G833-E835 PolarHBondContact O-N 3.45Å; E835-K875 WeakPolarHBondContact OE1-CB 3.45Å; E835-K875 WeakPolarHBondContact OE2-CA 3.4Å; E835-H876 PolarHBondContact OE1-N 3.16Å; E835-H876 PolarHBondContact OE2-N 2.64Å; E835-S877 PolarHBondContact OE1-OG 3.21Å
836	Y	85	Confident	91.2	Very high	102 Å²	102	53.6 Å²	53.6	40%	0.4	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-122.2	17.2	173.6	-53.4	-63.7	0	0	0	112.4	G833 R834 M838 H876 Y904	G833-Y836 CarbonylContact O-C 3.46Å; G833-Y836 WeakPolarHBondContact O-CA 3.06Å; G833-Y836 PolarHBondContact O-N 3.45Å; R834-Y836 PolarHBondContact O-N 2.94Å; Y836-M838 WeakPolarHBondContact O-CB 3.47Å; Y836-M838 PolarHBondContact O-N 2.8Å; Y836-H876 HydrophobicContact CD2-CB 4.39Å; Y836-H876 HydrophobicContact CE2-CB 3.91Å; Y836-Y904 HydrophobicContact CD1-CE2 4.27Å; Y836-Y904 WeakPolarHBondContact O-CD2 3.43Å; Y836-Y904 VanDerWaalsContact O-CE2 3.28Å; Y836-Y904 WeakPolarHBondContact O-CE2 3.3Å
837	N	86.7	Confident	91	Very high	147 Å²	147	61.2 Å²	61.2	79%	0.786	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	30.8	-177.1	-160.6	35.7	0	0	0	115.4	G833 R834	G833-N837 PolarHBondContact O-N 3.19Å; R834-N837 PolarHBondContact O-N 2.86Å
838	M	88.4	Confident	90.7	Very high	28 Å²	28	66.4 Å²	66.4	14%	0.138	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.7	-169.9	-175.1	171.5	66	0	0	109.8	R831 G832 G833 Y836 Y841 P902	R831-M838 HydrophobicContact CG-CE 3.75Å; G832-M838 VanDerWaalsContact CA-CE 3.43Å; G833-M838 CarbonylContact C-O 3.51Å; G833-M838 VanDerWaalsContact C-O 3.26Å; G833-M838 WeakPolarHBondContact CA-O 3.4Å; G833-M838 PolarHBondContact N-O 3.04Å; G833-M838 PolarHBondContact O-N 3.15Å; G833-M838 VanDerWaalsContact O-O 3.1Å; Y836-M838 WeakPolarHBondContact O-CB 3.47Å; Y836-M838 PolarHBondContact O-N 2.8Å; M838-Y841 HydrophobicContact CG-CD2 4.29Å; M838-Y841 HydrophobicContact CG-CE2 4.06Å; M838-P902 HydrophobicContact SD-CB 3.78Å
839	D	89.6	Confident	90.4	Very high	45 Å²	45	65.3 Å²	65.3	24%	0.241	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	172.9	174.6	-74.9	-65.1	0	0	0	111.7	G832 Y841	G832-D839 WeakPolarHBondContact CA-O 3.48Å; D839-Y841 HydrophobicContact CB-CE2 4.27Å; D839-Y841 WeakPolarHBondContact O-CD2 3.45Å; D839-Y841 WeakPolarHBondContact O-CE2 3.44Å
840	L	94.5	Very high	90.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126	-171.7	-67.8	-174.5	0	0	0	112.5	L830 R831 G832 E862 I863 I866 T871 A879	L830-L840 HydrophobicContact CD1-CB 4.09Å; L830-L840 HydrophobicContact CD1-CD1 4.47Å; L830-L840 HydrophobicContact CD1-CD2 4.43Å; L830-L840 HydrophobicContact CD2-CD1 4.36Å; L830-L840 HydrophobicContact CD2-CD2 4.23Å; L830-L840 HydrophobicContact CG-CD2 4.29Å; R831-L840 WeakPolarHBondContact O-CA 3.31Å; G832-L840 VanDerWaalsContact C-CD2 3.47Å; G832-L840 WeakPolarHBondContact O-CD2 3.48Å; L840-E862 CarbonylContact O-C 3.59Å; L840-E862 WeakPolarHBondContact O-CA 3.41Å; L840-I863 HydrophobicContact CB-CB 4.31Å; L840-I863 PolarHBondContact O-N 3.34Å; L840-I866 HydrophobicContact CD1-CD1 4.1Å; L840-T871 HydrophobicContact CD1-CG2 3.62Å; L840-A879 HydrophobicContact CD1-CB 3.42Å; L840-A879 VanDerWaalsContact CD1-CB 3.42Å; L840-A879 HydrophobicContact CD2-CB 4.44Å
841	Y	94.5	Very high	90.3	Very high	39 Å²	39	62.1 Å²	62.1	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.6	-177.9	-68.6	-85.8	0	0	0	113.3	R831 M838 D839 L843 G860 D861 E862 V901 P902	R831-Y841 PolarHBondContact N-O 2.83Å; R831-Y841 PolarHBondContact O-N 2.98Å; M838-Y841 HydrophobicContact CG-CD2 4.29Å; M838-Y841 HydrophobicContact CG-CE2 4.06Å; D839-Y841 HydrophobicContact CB-CE2 4.27Å; D839-Y841 WeakPolarHBondContact O-CD2 3.45Å; D839-Y841 WeakPolarHBondContact O-CE2 3.44Å; Y841-L843 PolarHBondContact O-N 3.3Å; Y841-G860 WeakPolarHBondContact CD1-O 3.29Å; Y841-D861 WeakPolarHBondContact CA-O 3.27Å; Y841-E862 HydrophobicContact CD1-CB 4.03Å; Y841-E862 HydrophobicContact CD1-CG 4.45Å; Y841-E862 HydrophobicContact CE1-CB 3.66Å; Y841-E862 HydrophobicContact CE1-CG 3.9Å; Y841-V901 HydrophobicContact CG-CG1 4.29Å; Y841-P902 HydrophobicContact CE1-CG 4.48Å; Y841-P902 HydrophobicContact CE2-CG 4.05Å
842	V	94.4	Very high	90.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	102.4	170.9	-179.6	0	0	0	0	109.5	F828 L845 M857 R858 G860 D861 I863 L894	F828-V842 HydrophobicContact CB-CG1 4.45Å; V842-L845 HydrophobicContact CG1-CD2 3.71Å; V842-L845 HydrophobicContact CG1-CG 4.42Å; V842-M857 HydrophobicContact CG1-CE 4.27Å; V842-M857 HydrophobicContact CG2-CE 3.63Å; V842-R858 VanDerWaalsContact CG1-O 3.32Å; V842-R858 WeakPolarHBondContact CG1-O 3.32Å; V842-G860 PolarHBondContact O-N 2.75Å; V842-D861 HydrophobicContact CB-CB 4.48Å; V842-D861 HydrophobicContact CG2-CB 4.13Å; V842-D861 PolarHBondContact N-O 2.62Å; V842-I863 HydrophobicContact CG2-CD1 3.93Å; V842-I863 HydrophobicContact CG2-CG1 3.87Å; V842-L894 HydrophobicContact CG2-CD2 3.84Å
843	L	92.6	Very high	90.1	Very high	56 Å²	56	70 Å²	70	29%	0.293	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-39.3	-175.4	-178.6	59.5	0	0	0	113.3	S829 R831 Y841 I859 V901	S829-L843 PolarHBondContact O-N 3.37Å; R831-L843 HydrophobicContact CB-CB 3.93Å; R831-L843 HydrophobicContact CB-CD1 4.38Å; R831-L843 HydrophobicContact CB-CD2 4.15Å; R831-L843 HydrophobicContact CB-CG 4.36Å; Y841-L843 PolarHBondContact O-N 3.3Å; L843-I859 WeakPolarHBondContact O-CG2 3.45Å; L843-V901 HydrophobicContact CD1-CG1 4.33Å; L843-V901 HydrophobicContact CD1-CG2 4.47Å
844	R	91.3	Very high	89.9	Confident	166 Å²	166	71.7 Å²	71.7	63%	0.626	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.9	178.5	-67.4	-174.8	-178.2	140.9	4.1	109.4	F828 S829	F828-R844 CarbonylContact C-O 3.59Å; F828-R844 WeakPolarHBondContact CA-O 3.18Å; S829-R844 PolarHBondContact N-O 2.76Å
845	L	91.9	Very high	89.7	Confident	35 Å²	35	66.8 Å²	66.8	18%	0.183	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	151.4	155.9	-57.3	-178.4	0	0	0	108.2	F828 V842 A851 E852 M857 I859	F828-L845 HydrophobicContact CB-CD2 3.81Å; V842-L845 HydrophobicContact CG1-CD2 3.71Å; V842-L845 HydrophobicContact CG1-CG 4.42Å; L845-A851 HydrophobicContact CD2-CB 3.83Å; L845-E852 HydrophobicContact CB-CB 4.38Å; L845-M857 HydrophobicContact CD1-CB 4.38Å; L845-M857 WeakPolarHBondContact CD1-O 3.31Å; L845-M857 HydrophobicContact CD2-CB 4.15Å; L845-M857 HydrophobicContact CD2-CE 4.35Å; L845-I859 HydrophobicContact CG-CG1 4.45Å
846	A	90.7	Very high	89.7	Confident	46 Å²	46	69.2 Å²	69.2	38%	0.38	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-96	132.1	172.7	0	0	0	0	0	109	G827 D848 G849	G827-A846 PolarHBondContact O-N 2.74Å; A846-D848 PolarHBondContact O-N 2.66Å; A846-G849 VanDerWaalsContact O-CA 3.24Å; A846-G849 WeakPolarHBondContact O-CA 3.22Å; A846-G849 PolarHBondContact O-N 3.22Å
847	E	87.2	Confident	90	Very high	174 Å²	174	64.7 Å²	64.7	81%	0.813	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	133.4	175	-167.9	175.4	-160.8	0	0	111	G849 E852	E847-G849 PolarHBondContact O-N 2.98Å; E847-G849 VanDerWaalsContact O-N 3.08Å; E847-E852 VanDerWaalsContact CA-OE2 3.31Å; E847-E852 WeakPolarHBondContact CA-OE2 3.29Å
848	D	85.2	Confident	90.2	Very high	122 Å²	122	64.1 Å²	64.1	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	11.3	-170.5	-96.4	-41.7	0	0	0	114.6	A846 E852 R853	A846-D848 PolarHBondContact O-N 2.66Å; D848-E852 PolarHBondContact N-OE2 3.31Å; D848-R853 PolarHBondContact O-NH1 2.87Å
849	G	88.3	Confident	90.4	Very high	8 Å²	8	66.4 Å²	66.4	8%	0.082	33%	0.33	C	S	.	.			trans	-75	152	-177.7	0	0	0	0	0	113.2	A846 E847 A851 E852 R853	A846-G849 VanDerWaalsContact O-CA 3.24Å; A846-G849 WeakPolarHBondContact O-CA 3.22Å; A846-G849 PolarHBondContact O-N 3.22Å; E847-G849 PolarHBondContact O-N 2.98Å; E847-G849 VanDerWaalsContact O-N 3.08Å; G849-A851 PolarHBondContact O-N 2.9Å; G849-A851 VanDerWaalsContact O-N 3.15Å; G849-E852 PolarHBondContact O-N 3.25Å; G849-R853 WeakPolarHBondContact O-CG 3.17Å; G849-R853 PolarHBondContact O-N 2.74Å
850	P	91.6	Very high	90.4	Very high	15 Å²	15	64.3 Å²	64.3	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-53.6	-36.3	178.3	-26.2	32.8	0	0	0	114.6	E820 F826 C854	E820-P850 VanDerWaalsContact O-CB 3.23Å; E820-P850 WeakPolarHBondContact O-CB 3.24Å; E820-P850 WeakPolarHBondContact O-CG 3.33Å; F826-P850 WeakPolarHBondContact O-CB 3.39Å; F826-P850 WeakPolarHBondContact O-CD 3.43Å; P850-C854 PolarHBondContact O-N 3.09Å; P850-C854 VanDerWaalsContact O-N 3.11Å
851	A	91.8	Very high	90.4	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-31.1	175.6	0	0	0	0	0	114.2	L819 F826 F828 L845 G849 C854 M857	L819-A851 HydrophobicContact CD1-CB 3.64Å; L819-A851 HydrophobicContact CD2-CB 4.43Å; F826-A851 WeakPolarHBondContact O-CB 3.27Å; F826-A851 PolarHBondContact O-N 2.89Å; F828-A851 HydrophobicContact CB-CB 3.8Å; F828-A851 HydrophobicContact CD1-CB 4.03Å; F828-A851 HydrophobicContact CG-CB 4.36Å; L845-A851 HydrophobicContact CD2-CB 3.83Å; G849-A851 PolarHBondContact O-N 2.9Å; G849-A851 VanDerWaalsContact O-N 3.15Å; A851-C854 PolarHBondContact O-SG 2.9Å; A851-M857 HydrophobicContact CB-CE 4.37Å; A851-M857 HydrophobicContact CB-SD 4.02Å
852	E	89.6	Confident	90.4	Very high	83 Å²	83	63.3 Å²	63.3	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-78.3	-48.2	173.8	-174.6	179.5	-105.2	0	0	110.5	L845 E847 D848 G849 C854 G855	L845-E852 HydrophobicContact CB-CB 4.38Å; E847-E852 VanDerWaalsContact CA-OE2 3.31Å; E847-E852 WeakPolarHBondContact CA-OE2 3.29Å; D848-E852 PolarHBondContact N-OE2 3.31Å; G849-E852 PolarHBondContact O-N 3.25Å; E852-C854 PolarHBondContact O-N 3.44Å; E852-G855 PolarHBondContact O-N 3.01Å
853	R	89	Confident	90.4	Very high	162 Å²	162	63.3 Å²	63.3	61%	0.611	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-12.9	177.4	-60.2	-168.6	-39.6	-112.1	2.6	114.3	D848 G849 G855	D848-R853 PolarHBondContact O-NH1 2.87Å; G849-R853 WeakPolarHBondContact O-CG 3.17Å; G849-R853 PolarHBondContact O-N 2.74Å; R853-G855 VanDerWaalsContact C-N 3.26Å
854	C	87.8	Confident	90.5	Very high	37 Å²	37	62 Å²	62	25%	0.25	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.4	170.8	89.7	0	0	0	0	113.1	V817 L819 P850 A851 E852 K856	V817-C854 HydrophobicContact CG1-CB 4.23Å; L819-C854 HydrophobicContact CD2-CB 3.72Å; P850-C854 PolarHBondContact O-N 3.09Å; P850-C854 VanDerWaalsContact O-N 3.11Å; A851-C854 PolarHBondContact O-SG 2.9Å; E852-C854 PolarHBondContact O-N 3.44Å; C854-K856 PolarHBondContact O-N 3Å; C854-K856 PolarHBondContact SG-N 3.27Å; C854-K856 VanDerWaalsContact SG-N 3.41Å
855	G	85.7	Confident	90.7	Very high	68 Å²	68	57.4 Å²	57.4	70%	0.701	29%	0.294	S	S	*	.	S	Bend	trans	65.2	-3	179.4	0	0	0	0	0	115.9	E852 R853	E852-G855 PolarHBondContact O-N 3.01Å; R853-G855 VanDerWaalsContact C-N 3.26Å
856	K	87.3	Confident	90.8	Very high	120 Å²	120	55.7 Å²	55.7	52%	0.522	29%	0.286	S	S	.	.	S	Bend	trans	-102.7	-39.2	-172.6	-69.9	178.1	-179.4	-175.5	0	113.2	Y815 V817 C854 R896	Y815-K856 HydrophobicContact CE2-CB 4.28Å; V817-K856 HydrophobicContact CG2-CB 3.74Å; V817-K856 HydrophobicContact CG2-CD 4.45Å; C854-K856 PolarHBondContact O-N 3Å; C854-K856 PolarHBondContact SG-N 3.27Å; C854-K856 VanDerWaalsContact SG-N 3.41Å; K856-R896 VanDerWaalsContact O-CZ 3.22Å; K856-R896 PolarHBondContact O-NH1 2.98Å; K856-R896 PolarHBondContact O-NH2 2.97Å
857	M	93.1	Very high	90.9	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.039	29%	0.285	C	S	.	.			trans	-75.2	151.1	174.6	-65.3	175.8	62.9	0	0	111	V817 L819 F828 V842 L845 A851 D861 L892 L894	V817-M857 HydrophobicContact CB-CG 4.26Å; V817-M857 HydrophobicContact CB-SD 4.42Å; V817-M857 HydrophobicContact CG1-CG 4.12Å; V817-M857 HydrophobicContact CG1-SD 4.08Å; V817-M857 HydrophobicContact CG2-CG 3.94Å; L819-M857 HydrophobicContact CD1-SD 3.8Å; L819-M857 HydrophobicContact CD2-SD 4.44Å; L819-M857 HydrophobicContact CG-SD 4.4Å; F828-M857 HydrophobicContact CB-CE 4.11Å; F828-M857 HydrophobicContact CD1-CE 4.22Å; F828-M857 HydrophobicContact CD2-CE 4.19Å; F828-M857 HydrophobicContact CG-CE 3.93Å; V842-M857 HydrophobicContact CG1-CE 4.27Å; V842-M857 HydrophobicContact CG2-CE 3.63Å; L845-M857 HydrophobicContact CD1-CB 4.38Å; L845-M857 WeakPolarHBondContact CD1-O 3.31Å; L845-M857 HydrophobicContact CD2-CB 4.15Å; L845-M857 HydrophobicContact CD2-CE 4.35Å; A851-M857 HydrophobicContact CB-CE 4.37Å; A851-M857 HydrophobicContact CB-SD 4.02Å; M857-D861 WeakPolarHBondContact CA-OD2 3.35Å; M857-L892 HydrophobicContact CE-CD1 3.9Å; M857-L892 HydrophobicContact SD-CD1 3.91Å; M857-L894 HydrophobicContact CE-CD2 4.08Å; M857-L894 HydrophobicContact CG-CD1 4.27Å; M857-L894 HydrophobicContact CG-CD2 4.3Å
858	R	90.6	Very high	91	Very high	134 Å²	134	51.1 Å²	51.1	51%	0.506	27%	0.273	S	S	.	.			trans	-136.3	169.1	173.5	-63.7	-166.2	-63.5	-152.5	8.8	108.4	V842 D861	V842-R858 VanDerWaalsContact CG1-O 3.32Å; V842-R858 WeakPolarHBondContact CG1-O 3.32Å; R858-D861 PolarHBondContact N-OD2 2.87Å
859	I	92.3	Very high	91.2	Very high	77 Å²	77	49.4 Å²	49.4	40%	0.395	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	144	167.6	-63.1	177.4	0	0	0	108	L843 L845 V901	L843-I859 WeakPolarHBondContact O-CG2 3.45Å; L845-I859 HydrophobicContact CG-CG1 4.45Å; I859-V901 HydrophobicContact CG2-CG2 4.05Å
860	G	89.2	Confident	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-12.1	-177.1	0	0	0	0	0	115.9	Y841 V842 E862 G897 S900	Y841-G860 WeakPolarHBondContact CD1-O 3.29Å; V842-G860 PolarHBondContact O-N 2.75Å; G860-E862 PolarHBondContact O-N 3.16Å; G860-G897 VanDerWaalsContact O-CA 3.28Å; G860-G897 WeakPolarHBondContact O-CA 3.4Å; G860-S900 WeakPolarHBondContact CA-O 3.42Å
861	D	94.4	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.269	C	S	.	.			trans	-61.6	132.7	176.6	-65.7	-37.3	0	0	0	111.2	Y815 Y841 V842 M857 R858 L894 R896 G897	Y815-D861 PolarHBondContact OH-OD1 2.88Å; Y815-D861 VanDerWaalsContact OH-OD1 3.1Å; Y815-D861 PolarHBondContact OH-OD2 2.8Å; Y841-D861 WeakPolarHBondContact CA-O 3.27Å; V842-D861 HydrophobicContact CB-CB 4.48Å; V842-D861 HydrophobicContact CG2-CB 4.13Å; V842-D861 PolarHBondContact N-O 2.62Å; M857-D861 WeakPolarHBondContact CA-OD2 3.35Å; R858-D861 PolarHBondContact N-OD2 2.87Å; D861-L894 HydrophobicContact CB-CB 4.41Å; D861-L894 HydrophobicContact CB-CD2 3.62Å; D861-R896 WeakPolarHBondContact OD1-CD 3.5Å; D861-R896 IonicContact OD1-NH1 3.58Å; D861-R896 PolarHBondContact OD1-NH1 2.93Å; D861-R896 IonicContact OD2-NH1 2.67Å; D861-R896 PolarHBondContact OD2-NH1 3.41Å; D861-G897 PolarHBondContact OD1-N 2.85Å
862	E	93.8	Very high	91.3	Very high	18 Å²	18	56 Å²	56	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.2	177.4	-173.4	-170	166.2	0	0	108.7	L840 Y841 G860 L864 L894 K895	L840-E862 CarbonylContact O-C 3.59Å; L840-E862 WeakPolarHBondContact O-CA 3.41Å; Y841-E862 HydrophobicContact CD1-CB 4.03Å; Y841-E862 HydrophobicContact CD1-CG 4.45Å; Y841-E862 HydrophobicContact CE1-CB 3.66Å; Y841-E862 HydrophobicContact CE1-CG 3.9Å; G860-E862 PolarHBondContact O-N 3.16Å; E862-L864 HydrophobicContact CG-CD2 4.09Å; E862-L864 PolarHBondContact O-N 3.05Å; E862-L864 VanDerWaalsContact OE1-CD2 3.23Å; E862-L864 WeakPolarHBondContact OE1-CD2 3.37Å; E862-L894 CarbonylContact O-C 3.53Å; E862-L894 WeakPolarHBondContact O-CA 3.23Å; E862-K895 HydrophobicContact CB-CB 4.28Å; E862-K895 PolarHBondContact N-O 3.33Å; E862-K895 PolarHBondContact O-N 3.5Å; E862-K895 WeakPolarHBondContact OE2-CD 3.28Å; E862-K895 WeakPolarHBondContact OE2-CE 3.37Å; E862-K895 IonicContact OE2-NZ 3.59Å; E862-K895 PolarHBondContact OE2-NZ 2.94Å
863	I	95.2	Very high	91	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	111.8	175.7	-49.2	-171.3	0	0	0	108.5	F828 L830 L840 V842 I866 T871 L892 L894	F828-I863 HydrophobicContact CD2-CD1 4.43Å; F828-I863 HydrophobicContact CE2-CD1 3.85Å; L830-I863 HydrophobicContact CD1-CD1 3.64Å; L830-I863 HydrophobicContact CD1-CG1 4.46Å; L840-I863 HydrophobicContact CB-CB 4.31Å; L840-I863 PolarHBondContact O-N 3.34Å; V842-I863 HydrophobicContact CG2-CD1 3.93Å; V842-I863 HydrophobicContact CG2-CG1 3.87Å; I863-I866 HydrophobicContact CG2-CG1 3.86Å; I863-T871 HydrophobicContact CG2-CG2 4.18Å; I863-T871 WeakPolarHBondContact O-CB 3.44Å; I863-T871 WeakPolarHBondContact O-CG2 3.45Å; I863-T871 PolarHBondContact O-OG1 3.07Å; I863-L892 HydrophobicContact CG2-CD2 4.08Å; I863-L894 HydrophobicContact CG1-CD2 3.92Å; I863-L894 HydrophobicContact CG1-CG 4.46Å
864	L	94.2	Very high	91.1	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-27.9	-177.3	-67	175.2	0	0	0	113.8	F814 E862 T870 T871 F893 K895	F814-L864 HydrophobicContact CD1-CD1 3.56Å; F814-L864 HydrophobicContact CE1-CD1 3.61Å; E862-L864 HydrophobicContact CG-CD2 4.09Å; E862-L864 PolarHBondContact O-N 3.05Å; E862-L864 VanDerWaalsContact OE1-CD2 3.23Å; E862-L864 WeakPolarHBondContact OE1-CD2 3.37Å; L864-T870 WeakPolarHBondContact O-CA 3.29Å; L864-T870 PolarHBondContact O-OG1 3.48Å; L864-T871 VanDerWaalsContact CA-OG1 3.25Å; L864-T871 WeakPolarHBondContact CA-OG1 3.22Å; L864-T871 PolarHBondContact O-N 3.13Å; L864-T871 PolarHBondContact O-OG1 3.12Å; L864-F893 HydrophobicContact CB-CD1 3.97Å; L864-F893 HydrophobicContact CD1-CD1 4.19Å; L864-F893 HydrophobicContact CD1-CE1 4.2Å; L864-F893 PolarHBondContact N-O 2.85Å; L864-K895 HydrophobicContact CD1-CB 3.85Å; L864-K895 HydrophobicContact CG-CB 4.43Å
865	E	95.3	Very high	91.3	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.6	174.3	-53.1	-174.2	163.9	0	0	112	E869 L892 F893	E865-E869 WeakPolarHBondContact CA-O 3.44Å; E865-L892 WeakPolarHBondContact O-CA 3.5Å; E865-F893 HydrophobicContact CB-CB 3.76Å; E865-F893 HydrophobicContact CG-CB 3.96Å; E865-F893 HydrophobicContact CG-CD1 4.27Å; E865-F893 PolarHBondContact N-O 2.76Å; E865-F893 PolarHBondContact O-N 3.2Å
866	I	95.5	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.6	171.7	-59.5	168.2	0	0	0	107.9	L840 I863 G868 E869 T871 A879 L882 I883 V890 L892	L840-I866 HydrophobicContact CD1-CD1 4.1Å; I863-I866 HydrophobicContact CG2-CG1 3.86Å; I866-G868 PolarHBondContact O-N 3.36Å; I866-G868 VanDerWaalsContact O-N 3.07Å; I866-E869 PolarHBondContact N-O 3.38Å; I866-E869 PolarHBondContact O-N 2.98Å; I866-T871 HydrophobicContact CD1-CG2 3.93Å; I866-T871 HydrophobicContact CG1-CG2 3.81Å; I866-A879 HydrophobicContact CD1-CB 3.73Å; I866-L882 HydrophobicContact CB-CB 4.3Å; I866-L882 HydrophobicContact CB-CD1 4.35Å; I866-L882 HydrophobicContact CG2-CB 3.63Å; I866-I883 HydrophobicContact CD1-CD1 4.18Å; I866-I883 HydrophobicContact CD1-CG1 4.2Å; I866-I883 HydrophobicContact CG2-CG1 3.79Å; I866-V890 HydrophobicContact CG2-CG2 4.04Å; I866-L892 HydrophobicContact CB-CD2 4.4Å; I866-L892 HydrophobicContact CG1-CD2 3.94Å; I866-L892 HydrophobicContact CG2-CD2 4.28Å
867	N	92.9	Very high	92.1	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	21.7	-176.5	-62.2	-37.2	0	0	0	114.8	L882 V890 R891	N867-L882 PolarHBondContact ND2-O 3.44Å; N867-L882 VanDerWaalsContact ND2-O 3.17Å; N867-V890 WeakPolarHBondContact OD1-CA 3.3Å; N867-R891 PolarHBondContact N-O 3.31Å; N867-R891 PolarHBondContact OD1-N 3.12Å
868	G	87.6	Confident	92.1	Very high	54 Å²	54	54.1 Å²	54.1	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	1.7	-175.6	0	0	0	0	0	115.2	I866	I866-G868 PolarHBondContact O-N 3.36Å; I866-G868 VanDerWaalsContact O-N 3.07Å
869	E	91.1	Very high	92.3	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.402	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123	164.8	-74.9	-177	-137.1	0	0	109.4	E865 I866 M874 R878 L882	E865-E869 WeakPolarHBondContact CA-O 3.44Å; I866-E869 PolarHBondContact N-O 3.38Å; I866-E869 PolarHBondContact O-N 2.98Å; E869-M874 HydrophobicContact CB-CE 4.1Å; E869-R878 IonicContact OE1-NH2 2.58Å; E869-R878 PolarHBondContact OE1-NH2 3.28Å; E869-R878 IonicContact OE2-CZ 2.7Å; E869-R878 IonicContact OE2-NE 3.99Å; E869-R878 IonicContact OE2-NH2 3.92Å; E869-R878 PolarHBondContact OE2-NH2 3.45Å; E869-L882 HydrophobicContact CB-CD1 3.75Å; E869-L882 VanDerWaalsContact CD-CD2 3.45Å; E869-L882 HydrophobicContact CG-CD1 4.35Å; E869-L882 HydrophobicContact CG-CD2 4.46Å; E869-L882 VanDerWaalsContact OE1-CD2 3.23Å; E869-L882 WeakPolarHBondContact OE1-CD2 3.15Å; E869-L882 WeakPolarHBondContact OE2-CD2 3.26Å
870	T	91.8	Very high	92.3	Very high	53 Å²	53	46.7 Å²	46.7	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.5	178.3	-178.9	0	0	0	0	112	L864 M874	L864-T870 WeakPolarHBondContact O-CA 3.29Å; L864-T870 PolarHBondContact O-OG1 3.48Å; T870-M874 VanDerWaalsContact O-CE 3.23Å; T870-M874 WeakPolarHBondContact O-CE 3.45Å
871	T	92.9	Very high	92.5	Very high	3 Å²	3	51 Å²	51	2%	0.018	26%	0.264	C	S	.	.			trans	-85.3	-18.4	-173.9	57.5	0	0	0	0	114.5	L840 I863 L864 I866 N873 M874	L840-T871 HydrophobicContact CD1-CG2 3.62Å; I863-T871 HydrophobicContact CG2-CG2 4.18Å; I863-T871 WeakPolarHBondContact O-CB 3.44Å; I863-T871 WeakPolarHBondContact O-CG2 3.45Å; I863-T871 PolarHBondContact O-OG1 3.07Å; L864-T871 VanDerWaalsContact CA-OG1 3.25Å; L864-T871 WeakPolarHBondContact CA-OG1 3.22Å; L864-T871 PolarHBondContact O-N 3.13Å; L864-T871 PolarHBondContact O-OG1 3.12Å; I866-T871 HydrophobicContact CD1-CG2 3.93Å; I866-T871 HydrophobicContact CG1-CG2 3.81Å; T871-N873 PolarHBondContact O-N 3.05Å; T871-M874 WeakPolarHBondContact O-CB 3.32Å; T871-M874 PolarHBondContact O-N 3.33Å
872	K	87.9	Confident	92.3	Very high	105 Å²	105	51.5 Å²	51.5	46%	0.457	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	131.6	-179.2	179.4	159	-174.8	153.3	0	110.2	M874	K872-M874 PolarHBondContact O-N 3.39Å
873	N	82.9	Confident	92.3	Very high	109 Å²	109	51.7 Å²	51.7	58%	0.583	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	9.9	-173.8	-58.8	-12.8	0	0	0	115.1	R834 T871	R834-N873 WeakPolarHBondContact CB-O 3.38Å; R834-N873 VanDerWaalsContact CD-O 3.26Å; R834-N873 WeakPolarHBondContact CD-O 3.17Å; T871-N873 PolarHBondContact O-N 3.05Å
874	M	90.9	Very high	91.9	Very high	20 Å²	20	57.9 Å²	57.9	10%	0.099	30%	0.295	C	S	.	.			trans	-75	144.7	173.7	-169.4	-178.5	-76.8	0	0	110.5	R834 E869 T870 T871 K872 R878 A879 L882	R834-M874 PolarHBondContact N-O 3.15Å; E869-M874 HydrophobicContact CB-CE 4.1Å; T870-M874 VanDerWaalsContact O-CE 3.23Å; T870-M874 WeakPolarHBondContact O-CE 3.45Å; T871-M874 WeakPolarHBondContact O-CB 3.32Å; T871-M874 PolarHBondContact O-N 3.33Å; K872-M874 PolarHBondContact O-N 3.39Å; M874-R878 HydrophobicContact CG-CB 3.88Å; M874-R878 HydrophobicContact CG-CG 3.71Å; M874-R878 HydrophobicContact SD-CB 4.46Å; M874-R878 HydrophobicContact SD-CG 4.01Å; M874-A879 VanDerWaalsContact SD-CA 3.58Å; M874-A879 HydrophobicContact SD-CB 3.79Å; M874-L882 HydrophobicContact CE-CD1 3.36Å; M874-L882 HydrophobicContact SD-CD1 3.72Å
875	K	93.3	Very high	91.5	Very high	120 Å²	120	62.2 Å²	62.2	52%	0.522	32%	0.318	S	S	.	.			trans	-72.6	141.9	169.2	-74.4	-162.9	176.5	-166.9	0	111.3	E835 S877 R878 A879	E835-K875 WeakPolarHBondContact OE1-CB 3.45Å; E835-K875 WeakPolarHBondContact OE2-CA 3.4Å; K875-S877 WeakPolarHBondContact CB-OG 3.3Å; K875-S877 PolarHBondContact O-N 3.2Å; K875-R878 HydrophobicContact CB-CB 4.31Å; K875-R878 WeakPolarHBondContact O-CA 3.12Å; K875-R878 WeakPolarHBondContact O-CB 3.37Å; K875-R878 PolarHBondContact O-N 3.33Å; K875-A879 PolarHBondContact O-N 3.23Å
876	H	94.1	Very high	90.5	Very high	38 Å²	38	60.4 Å²	60.4	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-50.9	-44.5	173.9	-173.2	85.1	0	0	0	111.7	G832 E835 Y836 R878 A879 I880	G832-H876 WeakPolarHBondContact O-CB 3.4Å; G832-H876 PolarHBondContact O-ND1 3.22Å; E835-H876 PolarHBondContact OE1-N 3.16Å; E835-H876 PolarHBondContact OE2-N 2.64Å; Y836-H876 HydrophobicContact CD2-CB 4.39Å; Y836-H876 HydrophobicContact CE2-CB 3.91Å; H876-R878 PolarHBondContact O-N 3.27Å; H876-A879 WeakPolarHBondContact O-CB 3.45Å; H876-A879 PolarHBondContact O-N 3.47Å; H876-I880 WeakPolarHBondContact NE2-CD1 3.04Å; H876-I880 WeakPolarHBondContact O-CG1 3.38Å; H876-I880 PolarHBondContact O-N 3.15Å; H876-I880 VanDerWaalsContact O-N 3.08Å
877	S	94.5	Very high	89.9	Confident	63 Å²	63	61.9 Å²	61.9	44%	0.441	33%	0.334	S	S	.	.	H	α-helix	trans	-54.4	-47.2	172.7	44.2	0	0	0	0	112.9	E835 K875 I880 E881	E835-S877 PolarHBondContact OE1-OG 3.21Å; K875-S877 WeakPolarHBondContact CB-OG 3.3Å; K875-S877 PolarHBondContact O-N 3.2Å; S877-I880 PolarHBondContact O-N 2.79Å; S877-E881 PolarHBondContact O-N 2.85Å; S877-E881 VanDerWaalsContact O-N 3.08Å
878	R	94.1	Very high	89.7	Confident	90 Å²	90	69 Å²	69	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-38.9	177.5	174.9	58.5	-176.8	179.8	-0.3	112.6	E869 M874 K875 H876 I880 E881 L882	E869-R878 IonicContact OE1-NH2 2.58Å; E869-R878 PolarHBondContact OE1-NH2 3.28Å; E869-R878 IonicContact OE2-CZ 2.7Å; E869-R878 IonicContact OE2-NE 3.99Å; E869-R878 IonicContact OE2-NH2 3.92Å; E869-R878 PolarHBondContact OE2-NH2 3.45Å; M874-R878 HydrophobicContact CG-CB 3.88Å; M874-R878 HydrophobicContact CG-CG 3.71Å; M874-R878 HydrophobicContact SD-CB 4.46Å; M874-R878 HydrophobicContact SD-CG 4.01Å; K875-R878 HydrophobicContact CB-CB 4.31Å; K875-R878 WeakPolarHBondContact O-CA 3.12Å; K875-R878 WeakPolarHBondContact O-CB 3.37Å; K875-R878 PolarHBondContact O-N 3.33Å; H876-R878 PolarHBondContact O-N 3.27Å; R878-I880 VanDerWaalsContact C-N 3.29Å; R878-I880 PolarHBondContact O-N 3.47Å; R878-E881 VanDerWaalsContact CD-OE2 3.24Å; R878-E881 WeakPolarHBondContact CD-OE2 3.41Å; R878-E881 IonicContact CZ-OE2 3.77Å; R878-E881 IonicContact NE-OE2 2.66Å; R878-E881 IonicContact NH1-OE2 3.26Å; R878-E881 PolarHBondContact NH1-OE2 3.02Å; R878-E881 WeakPolarHBondContact O-CB 3.29Å; R878-E881 PolarHBondContact O-N 3.31Å; R878-E881 VanDerWaalsContact O-N 3.15Å; R878-L882 WeakPolarHBondContact O-CG 3.23Å; R878-L882 PolarHBondContact O-N 3.28Å; R878-L882 VanDerWaalsContact O-N 3.08Å
879	A	93.8	Very high	89.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-41.9	174.3	0	0	0	0	0	111.9	L830 L840 I866 M874 K875 H876 L882 I883	L830-A879 HydrophobicContact CD2-CB 3.74Å; L840-A879 HydrophobicContact CD1-CB 3.42Å; L840-A879 VanDerWaalsContact CD1-CB 3.42Å; L840-A879 HydrophobicContact CD2-CB 4.44Å; I866-A879 HydrophobicContact CD1-CB 3.73Å; M874-A879 VanDerWaalsContact SD-CA 3.58Å; M874-A879 HydrophobicContact SD-CB 3.79Å; K875-A879 PolarHBondContact O-N 3.23Å; H876-A879 WeakPolarHBondContact O-CB 3.45Å; H876-A879 PolarHBondContact O-N 3.47Å; A879-L882 PolarHBondContact O-N 3.38Å; A879-I883 WeakPolarHBondContact O-CG1 3.43Å; A879-I883 PolarHBondContact O-N 3.37Å; A879-I883 VanDerWaalsContact O-N 3.15Å
880	I	93.4	Very high	90	Very high	54 Å²	54	68.4 Å²	68.4	28%	0.277	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-38.1	174.5	-71.2	175.1	0	0	0	112.1	L830 H876 S877 R878 L882 K884	L830-I880 HydrophobicContact CD2-CG1 4.39Å; H876-I880 WeakPolarHBondContact NE2-CD1 3.04Å; H876-I880 WeakPolarHBondContact O-CG1 3.38Å; H876-I880 PolarHBondContact O-N 3.15Å; H876-I880 VanDerWaalsContact O-N 3.08Å; S877-I880 PolarHBondContact O-N 2.79Å; R878-I880 VanDerWaalsContact C-N 3.29Å; R878-I880 PolarHBondContact O-N 3.47Å; I880-L882 VanDerWaalsContact C-N 3.35Å; I880-K884 HydrophobicContact CG2-CD 3.81Å; I880-K884 HydrophobicContact CG2-CG 4.46Å; I880-K884 VanDerWaalsContact CG2-NZ 3.25Å; I880-K884 WeakPolarHBondContact O-CB 3.49Å; I880-K884 VanDerWaalsContact O-CG 3.27Å; I880-K884 WeakPolarHBondContact O-CG 3.42Å; I880-K884 PolarHBondContact O-N 3.18Å
881	E	92.3	Very high	90.1	Very high	91 Å²	91	71.9 Å²	71.9	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-46.4	172.3	-69.1	-179.3	169.6	0	0	111.6	S877 R878 I883 K884 N885	S877-E881 PolarHBondContact O-N 2.85Å; S877-E881 VanDerWaalsContact O-N 3.08Å; R878-E881 VanDerWaalsContact CD-OE2 3.24Å; R878-E881 WeakPolarHBondContact CD-OE2 3.41Å; R878-E881 IonicContact CZ-OE2 3.77Å; R878-E881 IonicContact NE-OE2 2.66Å; R878-E881 IonicContact NH1-OE2 3.26Å; R878-E881 PolarHBondContact NH1-OE2 3.02Å; R878-E881 WeakPolarHBondContact O-CB 3.29Å; R878-E881 PolarHBondContact O-N 3.31Å; R878-E881 VanDerWaalsContact O-N 3.15Å; E881-I883 PolarHBondContact O-N 3.43Å; E881-K884 PolarHBondContact O-N 3.3Å; E881-N885 WeakPolarHBondContact O-CB 3.27Å; E881-N885 PolarHBondContact O-N 3.07Å; E881-N885 PolarHBondContact O-ND2 2.95Å
882	L	91.9	Very high	90.2	Very high	11 Å²	11	71.8 Å²	71.8	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-42.6	-177.5	-68.3	175.2	0	0	0	112.9	I866 N867 E869 M874 R878 A879 I880 K884 N885 G886	I866-L882 HydrophobicContact CB-CB 4.3Å; I866-L882 HydrophobicContact CB-CD1 4.35Å; I866-L882 HydrophobicContact CG2-CB 3.63Å; N867-L882 PolarHBondContact ND2-O 3.44Å; N867-L882 VanDerWaalsContact ND2-O 3.17Å; E869-L882 HydrophobicContact CB-CD1 3.75Å; E869-L882 VanDerWaalsContact CD-CD2 3.45Å; E869-L882 HydrophobicContact CG-CD1 4.35Å; E869-L882 HydrophobicContact CG-CD2 4.46Å; E869-L882 VanDerWaalsContact OE1-CD2 3.23Å; E869-L882 WeakPolarHBondContact OE1-CD2 3.15Å; E869-L882 WeakPolarHBondContact OE2-CD2 3.26Å; M874-L882 HydrophobicContact CE-CD1 3.36Å; M874-L882 HydrophobicContact SD-CD1 3.72Å; R878-L882 WeakPolarHBondContact O-CG 3.23Å; R878-L882 PolarHBondContact O-N 3.28Å; R878-L882 VanDerWaalsContact O-N 3.08Å; A879-L882 PolarHBondContact O-N 3.38Å; I880-L882 VanDerWaalsContact C-N 3.35Å; L882-K884 VanDerWaalsContact C-N 3.31Å; L882-K884 PolarHBondContact O-N 3.5Å; L882-N885 PolarHBondContact O-N 3.25Å; L882-G886 PolarHBondContact O-N 3.07Å
883	I	91.9	Very high	90.6	Very high	22 Å²	22	69.7 Å²	69.7	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174.5	-62.8	164.9	0	0	0	110.1	F826 F828 L830 I866 A879 E881 V890	F826-I883 HydrophobicContact CD2-CG2 3.54Å; F826-I883 HydrophobicContact CE2-CG2 3.69Å; F826-I883 WeakPolarHBondContact CE2-O 3.24Å; F828-I883 HydrophobicContact CE2-CD1 4.07Å; F828-I883 HydrophobicContact CZ-CD1 3.83Å; F828-I883 HydrophobicContact CZ-CG1 4.4Å; F828-I883 HydrophobicContact CZ-CG2 4.48Å; L830-I883 HydrophobicContact CD2-CD1 4.36Å; I866-I883 HydrophobicContact CD1-CD1 4.18Å; I866-I883 HydrophobicContact CD1-CG1 4.2Å; I866-I883 HydrophobicContact CG2-CG1 3.79Å; A879-I883 WeakPolarHBondContact O-CG1 3.43Å; A879-I883 PolarHBondContact O-N 3.37Å; A879-I883 VanDerWaalsContact O-N 3.15Å; E881-I883 PolarHBondContact O-N 3.43Å; I883-V890 HydrophobicContact CG1-CG2 4.41Å
884	K	87.3	Confident	91.1	Very high	130 Å²	130	64.5 Å²	64.5	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-70.4	-42.3	178.4	-74.3	170.5	179.6	169.3	0	112.8	I880 E881 L882 G887	I880-K884 HydrophobicContact CG2-CD 3.81Å; I880-K884 HydrophobicContact CG2-CG 4.46Å; I880-K884 VanDerWaalsContact CG2-NZ 3.25Å; I880-K884 WeakPolarHBondContact O-CB 3.49Å; I880-K884 VanDerWaalsContact O-CG 3.27Å; I880-K884 WeakPolarHBondContact O-CG 3.42Å; I880-K884 PolarHBondContact O-N 3.18Å; E881-K884 PolarHBondContact O-N 3.3Å; L882-K884 VanDerWaalsContact C-N 3.31Å; L882-K884 PolarHBondContact O-N 3.5Å; K884-G887 PolarHBondContact O-N 2.93Å
885	N	85.8	Confident	91.2	Very high	119 Å²	119	66 Å²	66	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-78.5	-21.6	-173.7	-67.9	-15.8	0	0	0	113.1	E881 L882 G887	E881-N885 WeakPolarHBondContact O-CB 3.27Å; E881-N885 PolarHBondContact O-N 3.07Å; E881-N885 PolarHBondContact O-ND2 2.95Å; L882-N885 PolarHBondContact O-N 3.25Å; N885-G887 PolarHBondContact O-N 3.08Å; N885-G887 VanDerWaalsContact O-N 3.09Å
886	G	75.4	Confident	91.2	Very high	32 Å²	32	63.3 Å²	63.3	33%	0.33	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11	166.2	0	0	0	0	0	114.3	L882 R888 R889	L882-G886 PolarHBondContact O-N 3.07Å; G886-R888 PolarHBondContact O-N 2.88Å; G886-R888 VanDerWaalsContact O-N 3.11Å; G886-R889 CarbonylContact C-O 3.59Å; G886-R889 VanDerWaalsContact O-O 3.1Å
887	G	82.4	Confident	90.7	Very high	31 Å²	31	62.2 Å²	62.2	32%	0.32	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-98.6	166.9	0	0	0	0	0	112.8	R821 K884 N885	R821-G887 WeakPolarHBondContact CD-O 3.36Å; R821-G887 PolarHBondContact NH1-O 3.36Å; K884-G887 PolarHBondContact O-N 2.93Å; N885-G887 PolarHBondContact O-N 3.08Å; N885-G887 VanDerWaalsContact O-N 3.09Å
888	R	88.6	Confident	90	Very high	217 Å²	217	66 Å²	66	82%	0.819	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-18.7	-177.3	-60.7	-167.3	-160.5	-174.9	7.2	114.4	R821 G886	R821-R888 VanDerWaalsContact CB-O 3.31Å; R821-R888 WeakPolarHBondContact CB-O 3.13Å; R821-R888 PolarHBondContact N-O 3.17Å; G886-R888 PolarHBondContact O-N 2.88Å; G886-R888 VanDerWaalsContact O-N 3.11Å
889	R	90.1	Very high	89	Confident	127 Å²	127	64 Å²	64	48%	0.479	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.6	179	-81.4	166.8	71.8	162.1	-6.4	109.3	E818 L819 E820 G886	E818-R889 IonicContact OE2-CZ 3.74Å; E818-R889 IonicContact OE2-NE 2.79Å; E818-R889 IonicContact OE2-NH2 3.76Å; E818-R889 PolarHBondContact OE2-NH2 3.38Å; L819-R889 VanDerWaalsContact O-CA 3.28Å; L819-R889 WeakPolarHBondContact O-CA 3.34Å; E820-R889 HydrophobicContact CG-CG 4.03Å; E820-R889 WeakPolarHBondContact OE1-CD 3.48Å; E820-R889 IonicContact OE1-NH1 3.84Å; G886-R889 CarbonylContact C-O 3.59Å; G886-R889 VanDerWaalsContact O-O 3.1Å
890	V	94.3	Very high	88	Confident	1 Å²	1	67 Å²	67	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.2	166.1	65.6	0	0	0	0	108.4	E818 L819 F826 F828 I866 N867 I883 L892	E818-V890 WeakPolarHBondContact CA-O 3.28Å; L819-V890 HydrophobicContact CB-CG1 3.98Å; L819-V890 HydrophobicContact CD1-CG1 4.41Å; L819-V890 PolarHBondContact N-O 3.08Å; L819-V890 PolarHBondContact O-N 3.27Å; F826-V890 HydrophobicContact CB-CG1 4.46Å; F826-V890 HydrophobicContact CD1-CB 4.48Å; F826-V890 HydrophobicContact CD1-CG1 3.61Å; F826-V890 HydrophobicContact CD2-CG1 3.96Å; F826-V890 HydrophobicContact CE1-CB 4.07Å; F826-V890 HydrophobicContact CE1-CG1 3.67Å; F826-V890 HydrophobicContact CE2-CB 4.15Å; F826-V890 HydrophobicContact CE2-CG1 4.03Å; F826-V890 HydrophobicContact CG-CG1 3.75Å; F826-V890 HydrophobicContact CZ-CB 3.88Å; F826-V890 HydrophobicContact CZ-CG1 3.88Å; F828-V890 HydrophobicContact CE1-CG1 4.45Å; I866-V890 HydrophobicContact CG2-CG2 4.04Å; N867-V890 WeakPolarHBondContact OD1-CA 3.3Å; I883-V890 HydrophobicContact CG1-CG2 4.41Å; V890-L892 HydrophobicContact CG1-CG 4.41Å; V890-L892 HydrophobicContact CG2-CD2 3.72Å; V890-L892 HydrophobicContact CG2-CG 4.17Å
891	R	94.4	Very high	87.4	Confident	127 Å²	127	65.7 Å²	65.7	48%	0.479	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.6	168.9	-179.1	174.6	173.9	-169.8	-1.6	107.9	T816 E818 N867	T816-R891 HydrophobicContact CG2-CG 3.76Å; T816-R891 VanDerWaalsContact CG2-NE 3.27Å; E818-R891 HydrophobicContact CG-CB 3.98Å; E818-R891 HydrophobicContact CG-CG 3.88Å; N867-R891 PolarHBondContact N-O 3.31Å; N867-R891 PolarHBondContact OD1-N 3.12Å
892	L	95.6	Very high	86.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	179.1	-59.2	174.2	0	0	0	108.3	T816 V817 L819 F828 M857 I863 E865 I866 V890 L894	T816-L892 WeakPolarHBondContact CA-O 3.11Å; V817-L892 PolarHBondContact N-O 2.74Å; V817-L892 PolarHBondContact O-N 3.2Å; L819-L892 HydrophobicContact CD1-CD1 4.28Å; F828-L892 HydrophobicContact CE1-CD1 3.84Å; F828-L892 HydrophobicContact CE2-CD1 4.29Å; F828-L892 HydrophobicContact CZ-CD1 3.68Å; F828-L892 HydrophobicContact CZ-CD2 4.37Å; M857-L892 HydrophobicContact CE-CD1 3.9Å; M857-L892 HydrophobicContact SD-CD1 3.91Å; I863-L892 HydrophobicContact CG2-CD2 4.08Å; E865-L892 WeakPolarHBondContact O-CA 3.5Å; I866-L892 HydrophobicContact CB-CD2 4.4Å; I866-L892 HydrophobicContact CG1-CD2 3.94Å; I866-L892 HydrophobicContact CG2-CD2 4.28Å; V890-L892 HydrophobicContact CG1-CG 4.41Å; V890-L892 HydrophobicContact CG2-CD2 3.72Å; V890-L892 HydrophobicContact CG2-CG 4.17Å; L892-L894 HydrophobicContact CB-CD1 3.64Å; L892-L894 HydrophobicContact CB-CG 4.33Å
893	F	95.3	Very high	85.5	Confident	61 Å²	61	71.8 Å²	71.8	27%	0.268	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124	163.6	-169	-124.1	0	0	0	107.5	F814 Y815 L864 E865	F814-F893 HydrophobicContact CB-CE1 4.26Å; F814-F893 HydrophobicContact CB-CE2 4.07Å; F814-F893 HydrophobicContact CB-CZ 3.57Å; F814-F893 HydrophobicContact CD1-CE1 4.36Å; F814-F893 HydrophobicContact CD1-CZ 4.47Å; F814-F893 HydrophobicContact CG-CZ 4.25Å; Y815-F893 WeakPolarHBondContact O-CD2 3.35Å; L864-F893 HydrophobicContact CB-CD1 3.97Å; L864-F893 HydrophobicContact CD1-CD1 4.19Å; L864-F893 HydrophobicContact CD1-CE1 4.2Å; L864-F893 PolarHBondContact N-O 2.85Å; E865-F893 HydrophobicContact CB-CB 3.76Å; E865-F893 HydrophobicContact CG-CB 3.96Å; E865-F893 HydrophobicContact CG-CD1 4.27Å; E865-F893 PolarHBondContact N-O 2.76Å; E865-F893 PolarHBondContact O-N 3.2Å
894	L	94.7	Very high	83.5	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.9	-176.6	-57.7	102.9	0	0	0	111	F814 Y815 V817 V842 M857 D861 E862 I863 L892	F814-L894 CarbonylContact C-O 3.6Å; F814-L894 WeakPolarHBondContact CA-O 3.46Å; Y815-L894 HydrophobicContact CE1-CB 4.16Å; Y815-L894 HydrophobicContact CE2-CB 4.24Å; Y815-L894 HydrophobicContact CE2-CD1 4.21Å; Y815-L894 PolarHBondContact N-O 2.91Å; Y815-L894 PolarHBondContact O-N 2.82Å; V817-L894 HydrophobicContact CB-CD1 4.02Å; V817-L894 HydrophobicContact CG2-CD1 3.84Å; V842-L894 HydrophobicContact CG2-CD2 3.84Å; M857-L894 HydrophobicContact CE-CD2 4.08Å; M857-L894 HydrophobicContact CG-CD1 4.27Å; M857-L894 HydrophobicContact CG-CD2 4.3Å; D861-L894 HydrophobicContact CB-CB 4.41Å; D861-L894 HydrophobicContact CB-CD2 3.62Å; E862-L894 CarbonylContact O-C 3.53Å; E862-L894 WeakPolarHBondContact O-CA 3.23Å; I863-L894 HydrophobicContact CG1-CD2 3.92Å; I863-L894 HydrophobicContact CG1-CG 4.46Å; L892-L894 HydrophobicContact CB-CD1 3.64Å; L892-L894 HydrophobicContact CB-CG 4.33Å
895	K	93	Very high	81.6	Confident	51 Å²	51	73.7 Å²	73.7	22%	0.222	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145	160.5	168.8	177.1	143.7	-142.7	0	108.7	Q812 D813 F814 E862 L864 G897	Q812-K895 VanDerWaalsContact OE1-CE 3.27Å; D813-K895 WeakPolarHBondContact O-CA 3.22Å; F814-K895 HydrophobicContact CD1-CB 3.67Å; F814-K895 HydrophobicContact CD1-CD 4.39Å; F814-K895 HydrophobicContact CD1-CG 4.15Å; F814-K895 HydrophobicContact CE1-CB 3.78Å; F814-K895 HydrophobicContact CE1-CD 3.68Å; F814-K895 HydrophobicContact CE1-CG 3.94Å; F814-K895 HydrophobicContact CZ-CD 4.24Å; E862-K895 HydrophobicContact CB-CB 4.28Å; E862-K895 PolarHBondContact N-O 3.33Å; E862-K895 PolarHBondContact O-N 3.5Å; E862-K895 WeakPolarHBondContact OE2-CD 3.28Å; E862-K895 WeakPolarHBondContact OE2-CE 3.37Å; E862-K895 IonicContact OE2-NZ 3.59Å; E862-K895 PolarHBondContact OE2-NZ 2.94Å; L864-K895 HydrophobicContact CD1-CB 3.85Å; L864-K895 HydrophobicContact CG-CB 4.43Å; K895-G897 PolarHBondContact O-N 3.4Å
896	R	93	Very high	79.8	Confident	64 Å²	64	72.7 Å²	72.7	24%	0.242	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-60.3	122.8	172.7	-79.1	-57.4	-170.6	-157.3	-5	111.6	D813 Y815 K856 D861	D813-R896 HydrophobicContact CB-CB 3.9Å; D813-R896 HydrophobicContact CB-CG 3.47Å; D813-R896 VanDerWaalsContact CB-CG 3.47Å; D813-R896 PolarHBondContact O-N 3.49Å; Y815-R896 HydrophobicContact CD1-CG 4.39Å; Y815-R896 HydrophobicContact CE1-CG 3.83Å; Y815-R896 PolarHBondContact OH-NH1 2.8Å; K856-R896 VanDerWaalsContact O-CZ 3.22Å; K856-R896 PolarHBondContact O-NH1 2.98Å; K856-R896 PolarHBondContact O-NH2 2.97Å; D861-R896 WeakPolarHBondContact OD1-CD 3.5Å; D861-R896 IonicContact OD1-NH1 3.58Å; D861-R896 PolarHBondContact OD1-NH1 2.93Å; D861-R896 IonicContact OD2-NH1 2.67Å; D861-R896 PolarHBondContact OD2-NH1 3.41Å
897	G	83.7	Confident	78.2	Confident	16 Å²	16	75 Å²	75	17%	0.165	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-76.7	160	161.2	0	0	0	0	0	111.4	G860 D861 K895 G899	G860-G897 VanDerWaalsContact O-CA 3.28Å; G860-G897 WeakPolarHBondContact O-CA 3.4Å; D861-G897 PolarHBondContact OD1-N 2.85Å; K895-G897 PolarHBondContact O-N 3.4Å; G897-G899 PolarHBondContact O-N 2.88Å
898	D	79.4	Confident	76	Confident	142 Å²	142	77.8 Å²	77.8	76%	0.759	40%	0.4	S	S	*	.			trans	-70.7	-10.6	168.1	53.1	23.8	0	0	0	113	S900	D898-S900 WeakPolarHBondContact OD1-CA 3.28Å; D898-S900 VanDerWaalsContact OD1-CB 3.25Å; D898-S900 WeakPolarHBondContact OD1-CB 3.3Å; D898-S900 PolarHBondContact OD1-N 3.36Å; D898-S900 PolarHBondContact OD1-OG 3.47Å; D898-S900 PolarHBondContact OD2-OG 2.9Å
899	G	72.9	Confident	73.5	Confident	47 Å²	47	75.7 Å²	75.7	49%	0.485	41%	0.405	S	S	.	.	S	Bend	trans	106.5	-13.3	-176.8	0	0	0	0	0	113.2	G897	G897-G899 PolarHBondContact O-N 2.88Å
900	S	72.8	Confident	70.9	Confident	63 Å²	63	79.9 Å²	79.9	44%	0.441	42%	0.42	S	S	.	.			trans	-82.4	163.1	167.6	82.2	0	0	0	0	111	G860 D898	G860-S900 WeakPolarHBondContact CA-O 3.42Å; D898-S900 WeakPolarHBondContact OD1-CA 3.28Å; D898-S900 VanDerWaalsContact OD1-CB 3.25Å; D898-S900 WeakPolarHBondContact OD1-CB 3.3Å; D898-S900 PolarHBondContact OD1-N 3.36Å; D898-S900 PolarHBondContact OD1-OG 3.47Å; D898-S900 PolarHBondContact OD2-OG 2.9Å
901	V	79.9	Confident	67.9	Low	27 Å²	27	88.2 Å²	88.2	16%	0.164	46%	0.459	C	S	.	.			trans	-125.9	126	166	176.9	0	0	0	0	105.7	R831 Y841 L843 I859 E903	R831-V901 HydrophobicContact CB-CG1 4.45Å; R831-V901 HydrophobicContact CG-CG1 4.43Å; Y841-V901 HydrophobicContact CG-CG1 4.29Å; L843-V901 HydrophobicContact CD1-CG1 4.33Å; L843-V901 HydrophobicContact CD1-CG2 4.47Å; I859-V901 HydrophobicContact CG2-CG2 4.05Å; V901-E903 PolarHBondContact O-N 2.9Å
902	P	76.4	Confident	64.7	Low	51 Å²	51	85.4 Å²	85.4	33%	0.331	47%	0.47	S	S	.	.			trans	-55.5	136.6	-175.9	-27.2	34.5	0	0	0	113.1	R831 M838 Y841	R831-P902 PolarHBondContact NE-O 2.87Å; M838-P902 HydrophobicContact SD-CB 3.78Å; Y841-P902 HydrophobicContact CE1-CG 4.48Å; Y841-P902 HydrophobicContact CE2-CG 4.05Å
903	E	68.3	Low	61.7	Low	180 Å²	180	92 Å²	92	84%	0.841	51%	0.512	S	S	*	.			trans	-72	156.6	173.5	-61.9	-127.2	113.9	0	0	109.7	V901	V901-E903 PolarHBondContact O-N 2.9Å
904	Y	50.3	Low	58.4	Low	112 Å²	112	94 Å²	94	44%	0.439	54%	0.54	S	S	.	.			trans	-105.1	98.6	-176.5	172.2	-100.2	0	0	0	107.9	R831 Y836 P906	R831-Y904 VanDerWaalsContact NH2-CB 3.33Å; Y836-Y904 HydrophobicContact CD1-CE2 4.27Å; Y836-Y904 WeakPolarHBondContact O-CD2 3.43Å; Y836-Y904 VanDerWaalsContact O-CE2 3.28Å; Y836-Y904 WeakPolarHBondContact O-CE2 3.3Å; Y904-P906 HydrophobicContact CE1-CB 4.22Å
905	D	47	Very low	55.4	Low	79 Å²	79	101 Å²	101	42%	0.422	58%	0.583	S	S	.	*			trans	-85.9	118.2	172.3	-178.4	4.8	0	0	0	109.5	S907	D905-S907 PolarHBondContact O-N 2.87Å; D905-S907 WeakPolarHBondContact OD1-CB 3.31Å; D905-S907 PolarHBondContact OD1-N 3.12Å; D905-S907 PolarHBondContact OD1-OG 2.99Å
906	P	47.4	Very low	52.4	Low	99 Å²	99	101.9 Å²	101.9	64%	0.643	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	0.3	177.2	33.1	-36.9	0	0	0	114.1	Y904	Y904-P906 HydrophobicContact CE1-CB 4.22Å
907	S	42.2	Very low	49.8	Very low	81 Å²	81	104.5 Å²	104.5	57%	0.566	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-11.4	-163.9	-48.3	0	0	0	0	115.9	D905 D909	D905-S907 PolarHBondContact O-N 2.87Å; D905-S907 WeakPolarHBondContact OD1-CB 3.31Å; D905-S907 PolarHBondContact OD1-N 3.12Å; D905-S907 PolarHBondContact OD1-OG 2.99Å; S907-D909 VanDerWaalsContact C-N 3.31Å; S907-D909 PolarHBondContact O-N 2.95Å; S907-D909 VanDerWaalsContact O-N 3.13Å
908	S	36.2	Very low	47.3	Very low	89 Å²	89	113.3 Å²	113.3	62%	0.622	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	1.3	-162.3	-43.9	0	0	0	0	117.4	R910	S908-R910 VanDerWaalsContact C-N 3.28Å; S908-R910 PolarHBondContact O-N 3.1Å
909	D	36.6	Very low	44.8	Very low	173 Å²	173	110.2 Å²	110.2	93%	0.925	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	18.8	-175.7	-106.6	-14.5	0	0	0	114.4	S907	S907-D909 VanDerWaalsContact C-N 3.31Å; S907-D909 PolarHBondContact O-N 2.95Å; S907-D909 VanDerWaalsContact O-N 3.13Å
910	R	36.4	Very low	42.7	Very low	214 Å²	214	114.7 Å²	114.7	81%	0.808	69%	0.688	S	S	*	*	S	Bend	trans	-130.5	129.2	169.2	-78.5	-167.6	172	-171.5	-0.7	113.1	S908	S908-R910 VanDerWaalsContact C-N 3.28Å; S908-R910 PolarHBondContact O-N 3.1Å
911	H	30.1	Very low	41.2	Very low	177 Å²	177	116.8 Å²	116.8	82%	0.819	70%	0.7	S	S	*	*			trans	79	88.2	171.4	-53.7	-68	0	0	0	118
912	G	27.5	Very low	38.7	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	73%	0.731	S	S	*	*			trans	-76.1	157	141.4	0	0	0	0	0	111.2
913	P	32.5	Very low	36.6	Very low	137 Å²	137	127.4 Å²	127.4	89%	0.89	75%	0.752	S	S	*	*			trans	-83.6	154.2	-163.9	32.7	-37	0	0	0	114.8
914	A	27	Very low	34.6	Very low	103 Å²	103	130.4 Å²	130.4	85%	0.851	76%	0.755	S	S	*	*			trans	-116.5	138.2	169.8	0	0	0	0	0	111.1
915	T	29.8	Very low	33.5	Very low	147 Å²	147	129.6 Å²	129.6	90%	0.902	77%	0.772	S	S	*	*			trans	-89.6	128.6	175.7	50.3	0	0	0	0	111.1
916	G	31.7	Very low	32.3	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	79%	0.787	S	S	*	*			trans	-85.6	-165.2	178.9	0	0	0	0	0	114.6
917	P	38.4	Very low	32.4	Very low	119 Å²	119	130.2 Å²	130.2	77%	0.773	79%	0.793	S	S	*	*			trans	-143.4	138.7	145.3	35.7	-19.5	0	0	0	117.2
918	Q	29.7	Very low	31.7	Very low	201 Å²	201	132.2 Å²	132.2	94%	0.939	80%	0.798	S	S	*	*			trans	65.2	122.9	140.5	-64.3	-179	-27.5	0	0	123.1
919	G	26.8	Very low	31.3	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	80%	0.8	S	S	*	*			trans	178.2	135.1	161.8	0	0	0	0	0	110.9
920	V	30.5	Very low	30.8	Very low	142 Å²	142	137 Å²	137	86%	0.861	79%	0.789	S	S	*	*			trans	-140.4	171.5	-166.3	-71	0	0	0	0	111.7
921	P	39.9	Very low	30.3	Very low	106 Å²	106	134.7 Å²	134.7	69%	0.688	79%	0.788	S	S	*	*			cis	-134.5	-167.7	-22.1	33.5	-12	0	0	0	114.9
922	E	28.6	Very low	30	Very low	175 Å²	175	135 Å²	135	82%	0.818	79%	0.789	S	S	*	*			trans	73.4	151.7	158.3	-97.1	178	101	0	0	118.9
923	V	30.9	Very low	30.6	Very low	126 Å²	126	137.2 Å²	137.2	76%	0.764	79%	0.791	S	S	*	*			cis	-135.9	174.8	14.5	-154.9	0	0	0	0	112.1
924	R	26.6	Very low	30.2	Very low	243 Å²	243	135.2 Å²	135.2	92%	0.917	78%	0.78	S	S	*	*			trans	-73.2	172.9	169.8	-54.9	169.5	166.9	157.3	-6.7	111.8
925	A	26.8	Very low	30.2	Very low	96 Å²	96	138 Å²	138	79%	0.793	78%	0.78	S	S	*	*			cis	-159.4	178.3	18.1	0	0	0	0	0	112.8
926	G	22.5	Very low	30	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	78%	0.776	S	S	*	*			trans	-106.8	-154.3	158.9	0	0	0	0	0	111.5
927	P	49.9	Very low	29.7	Very low	121 Å²	121	141.2 Å²	141.2	79%	0.786	78%	0.777	S	S	*	*			cis	-140.2	-161.5	1.8	43.4	-24	0	0	0	114.6
928	D	27.2	Very low	29.2	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	78%	0.777	S	S	*	*			trans	70.1	155.4	160.1	-109	2.7	0	0	0	116.4
929	R	27.1	Very low	28.8	Very low	176 Å²	176	139 Å²	139	66%	0.664	76%	0.763	S	S	*	*			cis	-163.7	141.2	-7.4	-154.9	176	-116.6	-157.1	3.5	113.5
930	R	26.6	Very low	29.6	Very low	185 Å²	185	141 Å²	141	70%	0.698	76%	0.762	S	S	*	*			trans	37.1	133.8	147.3	-69.2	175.8	-171.5	-177.4	0.5	124
931	Q	25.9	Very low	30.4	Very low	167 Å²	167	139 Å²	139	78%	0.78	75%	0.752	S	S	*	*			trans	92.3	132.7	130.5	-75.9	165.3	-29.2	0	0	122
932	H	23.4	Very low	30	Very low	183 Å²	183	139.3 Å²	139.3	85%	0.847	75%	0.748	S	S	*	*			trans	-67.7	-178.7	172.4	-49.2	-92.8	0	0	0	113.1
933	P	41.1	Very low	30.3	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	74%	0.74	S	S	*	*			cis	-147	-171.4	13.1	42.6	-20.3	0	0	0	119.3
934	S	23.8	Very low	30.4	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	73%	0.731	S	S	*	*			trans	83.8	110.6	139.4	64.9	0	0	0	0	124.1
935	L	27.7	Very low	30.5	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	72%	0.723	S	S	*	*				82.6	149	120.1	-70	172.9	0	0	0	123.7
936	E	25.2	Very low	30.6	Very low	177 Å²	177	134 Å²	134	83%	0.827	72%	0.721	S	S	*	*			trans	74.4	94.4	156.8	-74.1	-179.4	137.7	0	0	122.7
937	S	26.1	Very low	30.9	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	72%	0.721	S	S	*	*				71.9	140.4	114	-158.5	0	0	0	0	123.1
938	S	26.5	Very low	31.2	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	72%	0.716	S	S	*	*			trans	93.8	106.7	151.1	-52.7	0	0	0	0	120.6
939	Y	20.9	Very low	31.2	Very low	166 Å²	166	137.3 Å²	137.3	65%	0.651	72%	0.723	S	S	*	*			trans	-60.6	-178.8	152.5	-74.2	-79.8	0	0	0	112.9	G42	G42-Y939 WeakPolarHBondContact O-CE1 2.92Å; G42-Y939 VanDerWaalsContact O-CZ 3.3Å; G42-Y939 PolarHBondContact O-OH 2.98Å
940	P	44.6	Very low	31.5	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	72%	0.719	S	S	*	*			cis	-138.3	-142.6	13.7	33.9	-6	0	0	0	113.5
941	P	48	Very low	31.6	Very low	101 Å²	101	129.5 Å²	129.5	66%	0.656	72%	0.717	S	S	*	*				-134.1	179.8	-76.4	39	-21.3	0	0	0	117.4
942	D	31	Very low	32.1	Very low	113 Å²	113	129.2 Å²	129.2	60%	0.604	71%	0.713	S	S	*	*				95	137	127.8	-104.3	-18.2	0	0	0	126
943	L	34.8	Very low	32.4	Very low	124 Å²	124	133 Å²	133	65%	0.649	72%	0.72	S	S	*	*			trans	76.5	153.7	142.7	-65.1	164.6	0	0	0	120.4
944	H	32.2	Very low	31.7	Very low	122 Å²	122	131.6 Å²	131.6	57%	0.565	72%	0.719	S	S	*	*			cis	-163.8	136.9	25.2	-128.1	9.2	0	0	0	116.4
945	K	29.4	Very low	31.9	Very low	175 Å²	175	136.5 Å²	136.5	76%	0.761	73%	0.731	S	S	*	*			trans	62.7	166.1	140	-65.1	169.3	178.1	157.4	0	120.2
946	S	27.8	Very low	31.7	Very low	108 Å²	108	133 Å²	133	76%	0.755	73%	0.726	S	S	*	*			cis	-159.4	150.7	20.9	82.3	0	0	0	0	114
947	S	28.9	Very low	31.8	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	73%	0.726	S	S	*	*				102	151.7	103.7	-176.1	0	0	0	0	116.3
948	P	57.7	Low	31.9	Very low	105 Å²	105	135.5 Å²	135.5	68%	0.682	72%	0.719	S	S	*	*			cis	-139.8	-168	-32.7	40.6	-22.2	0	0	0	116
949	H	27.2	Very low	33.1	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	72%	0.715	S	S	*	*			trans	72.6	126	161.9	-103.5	-64	0	0	0	119.7
950	G	32.8	Very low	33.3	Very low	56 Å²	56	137.2 Å²	137.2	58%	0.577	73%	0.727	S	S	*	*			cis	119.1	118.7	-21.4	0	0	0	0	0	117.9
951	E	28.6	Very low	32.5	Very low	142 Å²	142	134.9 Å²	134.9	66%	0.664	72%	0.724	S	S	*	*			trans	-158.6	-175.6	156.3	-82.4	-50.3	87.7	0	0	110
952	K	36.7	Very low	31.6	Very low	160 Å²	160	135.3 Å²	135.3	70%	0.696	73%	0.729	S	S	*	*				-155.9	107.5	-95.4	-95.4	-175.6	-155	119.2	0	112.6
953	R	28.7	Very low	31.5	Very low	262 Å²	262	139.6 Å²	139.6	99%	0.989	74%	0.737	S	S	*	*			trans	-170	162.4	145.6	-111.8	169.9	-170.8	168.9	5.8	114
954	A	27.3	Very low	31.1	Very low	86 Å²	86	140 Å²	140	71%	0.711	74%	0.736	S	S	*	*			trans	-149.5	160.4	-173.1	0	0	0	0	0	112.3
955	H	27.4	Very low	30.9	Very low	197 Å²	197	143.7 Å²	143.7	91%	0.912	75%	0.746	S	S	*	*			trans	-175.8	151.2	138	-102.2	-69.8	0	0	0	113.7
956	A	24.6	Very low	30.7	Very low	90 Å²	90	139 Å²	139	74%	0.744	74%	0.735	S	S	*	*			trans	67.7	83.9	150.6	0	0	0	0	0	123
957	R	26.6	Very low	30.5	Very low	222 Å²	222	144.6 Å²	144.6	84%	0.838	74%	0.74	S	S	*	*				25.9	137.4	111.2	-88.7	-176.3	173.9	-97.1	6.1	122.6
958	D	27.4	Very low	30.2	Very low	114 Å²	114	148.4 Å²	148.4	61%	0.61	75%	0.746	S	S	*	*			trans	82	163.1	130	-69.5	-33.2	0	0	0	120.7
959	P	52.8	Low	29.2	Very low	102 Å²	102	148.6 Å²	148.6	66%	0.662	75%	0.747	S	S	*	*				-146.6	-153.9	-100.4	34.3	-5.4	0	0	0	115.3
960	K	25.5	Very low	29.1	Very low	208 Å²	208	146.6 Å²	146.6	90%	0.904	74%	0.743	S	S	*	*			trans	85.4	139.3	156.9	-70.4	177.1	176.7	178.6	0	120.8
961	G	28	Very low	28.7	Very low	68 Å²	68	150.7 Å²	150.7	70%	0.701	75%	0.747	S	S	*	*			trans	149.3	80.1	171.8	0	0	0	0	0	109.2
962	S	27.6	Very low	28.7	Very low	110 Å²	110	151.3 Å²	151.3	77%	0.769	75%	0.749	S	S	*	*				59.4	129.7	73.7	-145.1	0	0	0	0	111.2
963	R	29.6	Very low	28.3	Very low	204 Å²	204	150.5 Å²	150.5	77%	0.77	75%	0.748	S	S	*	*			cis	-168	145.4	35.4	-161.4	167.5	174.4	164.4	3.5	112.8
964	E	26.8	Very low	28.3	Very low	133 Å²	133	145 Å²	145	62%	0.621	74%	0.744	S	S	*	*			trans	32.2	152.3	145.4	-58.1	179.6	120.7	0	0	121.8
965	Y	27	Very low	28.2	Very low	198 Å²	198	151.7 Å²	151.7	78%	0.776	75%	0.751	S	S	*	*			cis	-157.2	143.8	19.6	-157.4	-116.9	0	0	0	115.1
966	S	25.4	Very low	28.2	Very low	76 Å²	76	149.3 Å²	149.3	53%	0.531	75%	0.745	S	S	.	*			trans	-6.6	135.9	154.6	-53.3	0	0	0	0	125.4
967	R	24.4	Very low	28.2	Very low	226 Å²	226	148.9 Å²	148.9	85%	0.853	75%	0.749	S	S	*	*				71.5	113.1	125.1	-68.4	178.3	177.1	179.4	-1.6	123.6
968	Q	23.3	Very low	28.1	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	75%	0.75	S	S	*	*			trans	64.7	164.9	131.6	-75.6	-171.1	-20.8	0	0	119.6
969	P	36.4	Very low	27.9	Very low	109 Å²	109	143.6 Å²	143.6	71%	0.708	75%	0.75	S	S	*	*			cis	-132.1	-172.3	5.8	37.9	-18.1	0	0	0	116.5
970	N	23.8	Very low	26.6	Very low	132 Å²	132	149.4 Å²	149.4	71%	0.706	76%	0.758	S	S	*	*			trans	95.7	143.7	139.8	-126.7	81.5	0	0	0	122.7
971	E	25.4	Very low	27.1	Very low	142 Å²	142	148.8 Å²	148.8	66%	0.664	76%	0.756	S	S	*	*			trans	-84.9	163.6	170	-55.3	155.7	110.9	0	0	111.3
972	H	27.7	Very low	27.6	Very low	155 Å²	155	151 Å²	151	72%	0.718	76%	0.758	S	S	*	*				-178.8	157.8	110.7	-97.4	-56.8	0	0	0	113.6
973	H	29.5	Very low	27.4	Very low	144 Å²	144	152.7 Å²	152.7	67%	0.667	76%	0.758	S	S	*	*			trans	-87.9	164.6	-179.4	-16.7	-87.7	0	0	0	112.3
974	T	27.3	Very low	27.2	Very low	147 Å²	147	147.9 Å²	147.9	90%	0.902	76%	0.756	S	S	*	*				-175.2	179.1	123	23.3	0	0	0	0	113.5
975	W	26.5	Very low	27.3	Very low	226 Å²	226	145.4 Å²	145.4	86%	0.856	77%	0.766	S	S	*	*			trans	-101.1	167.2	-160.4	-88.4	64.4	0	0	0	115.9
976	N	26.9	Very low	27.4	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	77%	0.766	S	S	*	*			trans	21.8	120.6	153.2	-75.4	-3.4	0	0	0	120
977	G	24	Very low	27.4	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	78%	0.784	S	S	*	*			trans	-153.8	129.1	166	0	0	0	0	0	113.8
978	T	24.5	Very low	27.6	Very low	138 Å²	138	143.7 Å²	143.7	85%	0.847	79%	0.786	S	S	*	*			trans	-84.2	162.5	177.3	52.8	0	0	0	0	113.7
979	S	23.6	Very low	28.6	Very low	87 Å²	87	140.2 Å²	140.2	61%	0.608	78%	0.779	S	S	*	*			trans	84.1	114.9	137.6	168.4	0	0	0	0	121.3
980	R	25.9	Very low	28.3	Very low	223 Å²	223	143.2 Å²	143.2	84%	0.842	78%	0.781	S	S	*	*			trans	74	148	139.8	-66	173.4	-173.2	-168.7	3.2	120.6
981	K	34.8	Very low	28.5	Very low	196 Å²	196	142.8 Å²	142.8	85%	0.852	78%	0.778	S	S	*	*			trans	-75.3	158.6	157.4	-59.8	-164.7	174.4	-161.2	0	110.7
982	P	38.7	Very low	28.5	Very low	114 Å²	114	147 Å²	147	74%	0.74	79%	0.788	S	S	*	*				-134.3	-165.5	97.2	43.8	-33.5	0	0	0	110.8
983	D	24.2	Very low	28.5	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	79%	0.787	S	S	*	*			cis	-149.3	-173.1	-1.3	-143.8	-38.6	0	0	0	112.1
984	S	25.6	Very low	29.8	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	79%	0.791	S	S	*	*			trans	-56.8	151.3	169.5	60.3	0	0	0	0	114.3
985	G	27.6	Very low	29.7	Very low	80 Å²	80	143.9 Å²	143.9	83%	0.825	79%	0.789	S	S	*	*				106.9	155.6	77.5	0	0	0	0	0	109.4
986	A	29.9	Very low	29.9	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	78%	0.782	S	S	*	*			cis	-145.1	177.5	-8.1	0	0	0	0	0	108.2
987	C	24.8	Very low	30	Very low	136 Å²	136	139 Å²	139	92%	0.919	78%	0.781	S	S	*	*				179.5	173.4	95	-101.7	0	0	0	0	113.7
988	R	30	Very low	30.2	Very low	235 Å²	235	144.2 Å²	144.2	89%	0.887	78%	0.775	S	S	*	*			trans	-107.3	168.1	-178.4	-121.5	178.9	-168.8	-167	3.8	110.1
989	P	44.2	Very low	30.4	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	77%	0.768	S	S	*	*				-159.9	162.4	74.6	41.3	-19.7	0	0	0	120.5
990	K	29.7	Very low	30.6	Very low	172 Å²	172	143.5 Å²	143.5	75%	0.748	77%	0.77	S	S	*	*			trans	61	146.3	144.8	-72.1	-170.1	148.2	-149	0	122.6
991	D	28	Very low	30.6	Very low	122 Å²	122	142.1 Å²	142.1	65%	0.652	77%	0.773	S	S	*	*			cis	-123.6	-118.4	-14.1	-95.5	-45.7	0	0	0	108.8
992	R	26.1	Very low	30.3	Very low	230 Å²	230	137.1 Å²	137.1	87%	0.868	77%	0.768	S	S	*	*			cis	-160.2	163.3	-16.3	-155.5	-170.1	170.5	94.1	0.7	110
993	A	27	Very low	29.8	Very low	83 Å²	83	138.7 Å²	138.7	69%	0.686	77%	0.766	S	S	*	*			trans	-156.5	-167.3	173.6	0	0	0	0	0	108.9
994	P	56.2	Low	29.9	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	77%	0.766	S	S	*	*			cis	-135.8	-159.7	-9.9	40.1	-18.7	0	0	0	113.9
995	E	26.6	Very low	30.1	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	77%	0.77	S	S	*	*			trans	134.2	159.8	146.6	-71	-127.1	98.5	0	0	118.3
996	G	29.7	Very low	30.1	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	77%	0.766	S	S	*	*			trans	86.5	110.5	173.1	0	0	0	0	0	115.8
997	R	28.1	Very low	30.1	Very low	198 Å²	198	142.1 Å²	142.1	75%	0.747	77%	0.769	S	S	*	*			cis	75.4	110.8	28.5	-73.8	-164.2	-178.9	-164.1	6.3	118
998	R	29.7	Very low	30.2	Very low	192 Å²	192	139.5 Å²	139.5	73%	0.725	76%	0.756	S	S	*	*			trans	66.7	167.1	133.9	-69.1	-172.7	-158.2	-166.5	2.5	117.9
999	D	28.5	Very low	30.1	Very low	131 Å²	131	136 Å²	136	70%	0.701	76%	0.755	S	S	*	*			cis	-145.9	143	-9.8	-101.9	-31.9	0	0	0	105.6
1000	A	28.1	Very low	29.3	Very low	79 Å²	79	133.9 Å²	133.9	65%	0.653	75%	0.753	S	S	*	*				86.9	144.4	76.8	0	0	0	0	0	117.1
1001	Q	24.8	Very low	30	Very low	194 Å²	194	130.9 Å²	130.9	91%	0.907	75%	0.752	S	S	*	*			trans	68.8	145.7	174.1	-55.8	179.2	-81.8	0	0	118
1002	A	29.6	Very low	30	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	76%	0.762	S	S	*	*			cis	117	153.1	-2.5	0	0	0	0	0	116.5
1003	E	27.1	Very low	30.2	Very low	147 Å²	147	133.8 Å²	133.8	69%	0.687	76%	0.759	S	S	*	*			trans	79.9	148.3	-176.2	-59.5	-138.4	125.2	0	0	117
1004	R	27.2	Very low	30.2	Very low	209 Å²	209	140.4 Å²	140.4	79%	0.789	77%	0.766	S	S	*	*			cis	-152.3	172.4	-3.2	-130.5	172.6	179.4	139.9	-2.6	114.2
1005	A	29.6	Very low	28.9	Very low	97 Å²	97	140 Å²	140	80%	0.802	77%	0.766	S	S	*	*			trans	-26.8	164.2	172.8	0	0	0	0	0	120.1
1006	A	26.5	Very low	29.8	Very low	89 Å²	89	136.1 Å²	136.1	74%	0.736	76%	0.756	S	S	*	*			cis	-145.9	152.7	33.6	0	0	0	0	0	112.3
1007	A	30	Very low	29.6	Very low	101 Å²	101	139.6 Å²	139.6	84%	0.835	75%	0.754	S	S	*	*				58.4	131.7	63.7	0	0	0	0	0	114.2
1008	A	28.2	Very low	29.6	Very low	80 Å²	80	138.3 Å²	138.3	66%	0.661	75%	0.754	S	S	*	*			cis	-149	164.3	-1	0	0	0	0	0	110
1009	N	28.5	Very low	29.5	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	75%	0.754	S	S	*	*				-176.2	152.3	83.2	-88.5	-62.6	0	0	0	112.7
1010	G	26.6	Very low	29.5	Very low	65 Å²	65	141.5 Å²	141.5	67%	0.67	76%	0.756	S	S	*	*			trans	-98.2	-169	156.6	0	0	0	0	0	111.1
1011	P	43.1	Very low	29.5	Very low	110 Å²	110	146 Å²	146	71%	0.714	76%	0.764	S	S	*	*				-153.4	154.5	50.2	39.4	-18.6	0	0	0	119.3
1012	K	28.4	Very low	29.8	Very low	199 Å²	199	139.5 Å²	139.5	87%	0.865	75%	0.748	S	S	*	*			trans	57.4	132.8	141.6	-59.5	163.7	-171.5	170.2	0	118.3
1013	R	30.7	Very low	29.9	Very low	214 Å²	214	140.5 Å²	140.5	81%	0.808	75%	0.745	S	S	*	*				-159.5	138	61.1	-80.7	-179.2	172.3	-125.4	-0.6	115.1
1014	R	26.4	Very low	30	Very low	222 Å²	222	144.8 Å²	144.8	84%	0.838	76%	0.755	S	S	*	*			trans	43.6	110.8	136	-64.9	-173.8	176.9	-179.9	-2.2	121.1
1015	S	29.8	Very low	30.1	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	75%	0.751	S	S	*	*			trans	-63	173	136.5	-17.1	0	0	0	0	111.1
1016	P	45.2	Very low	30.2	Very low	99 Å²	99	139.5 Å²	139.5	64%	0.643	75%	0.75	S	S	*	*				-157.4	-170.2	55.2	46.6	-25.3	0	0	0	118.3
1017	E	26.5	Very low	30.3	Very low	144 Å²	144	141.8 Å²	141.8	67%	0.673	75%	0.75	S	S	*	*			trans	72.1	147.9	151.3	-76.3	170.1	88.3	0	0	120.2
1018	K	28.1	Very low	30.3	Very low	170 Å²	170	142.3 Å²	142.3	74%	0.739	74%	0.738	S	S	*	*			cis	-154	166	-6.7	-137.3	160.5	-165.5	161.9	0	113.9
1019	R	27.6	Very low	30.4	Very low	197 Å²	197	143.7 Å²	143.7	74%	0.743	74%	0.739	S	S	*	*			trans	-28.8	158.6	168.5	-70.1	176.8	167.1	-173.4	-2.3	120.3
1020	R	28.2	Very low	30.6	Very low	194 Å²	194	142.7 Å²	142.7	73%	0.732	73%	0.733	S	S	*	*			trans	38.1	137.6	132.4	-57.2	177.7	-179.6	-173.8	-2.4	118.2
1021	E	28.4	Very low	30.8	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	73%	0.732	S	S	*	*			cis	-154.4	177.2	41.4	-114.9	128.1	-133.7	0	0	109.5
1022	G	30.3	Very low	30.1	Very low	56 Å²	56	149.8 Å²	149.8	58%	0.577	73%	0.731	S	S	*	*			cis	166.4	162.8	-3.7	0	0	0	0	0	113.3
1023	T	31.3	Very low	30.2	Very low	113 Å²	113	148.9 Å²	148.9	69%	0.693	72%	0.722	S	S	*	*			trans	60.6	123.6	154.7	52.2	0	0	0	0	123.5
1024	R	30.7	Very low	30.1	Very low	236 Å²	236	144.2 Å²	144.2	89%	0.891	71%	0.709	S	S	*	*			trans	73.4	162.1	132.5	-67.2	169.2	179	156	-4.2	119.4
1025	S	29	Very low	30.3	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	70%	0.703	S	S	*	*			cis	176.8	141.6	-32.8	-176.9	0	0	0	0	108.1
1026	A	30.2	Very low	30.2	Very low	94 Å²	94	144.4 Å²	144.4	78%	0.777	71%	0.705	S	S	*	*			trans	62.7	163.2	162.3	0	0	0	0	0	117.1
1027	D	29.4	Very low	29.4	Very low	137 Å²	137	146.4 Å²	146.4	73%	0.733	71%	0.706	S	S	*	*			cis	-165.2	173.2	-39	-161.9	1.6	0	0	0	108.4
1028	N	29.6	Very low	29.5	Very low	112 Å²	112	147.2 Å²	147.2	60%	0.599	71%	0.707	S	S	*	*			trans	67.2	106.9	144.4	-100.4	-62.3	0	0	0	122.1
1029	T	29.9	Very low	29.6	Very low	110 Å²	110	149 Å²	149	68%	0.675	71%	0.709	S	S	*	*				73.6	138.8	123.1	41.1	0	0	0	0	125.9
1030	L	33.8	Very low	29.8	Very low	141 Å²	141	149.6 Å²	149.6	74%	0.738	71%	0.711	S	S	*	*			trans	76.8	95.8	140.4	-71.6	166.4	0	0	0	122.7
1031	E	30.4	Very low	29.8	Very low	138 Å²	138	145.7 Å²	145.7	65%	0.645	71%	0.705	S	S	*	*				74.7	148.5	117.5	-128.9	-165.9	-90.4	0	0	122.8
1032	R	28.8	Very low	29.7	Very low	185 Å²	185	143.6 Å²	143.6	70%	0.698	70%	0.704	S	S	*	*			trans	84.5	87.2	139	-165.6	168.7	-77.7	-122.4	-6	120.6
1033	R	30.9	Very low	29.8	Very low	180 Å²	180	146.5 Å²	146.5	68%	0.679	72%	0.716	S	S	*	*				92	128	108.2	-175.1	-176.9	179.8	-160.3	-6.6	121.5
1034	E	29	Very low	30.7	Very low	116 Å²	116	146.2 Å²	146.2	54%	0.542	72%	0.716	S	S	.	*			trans	66.3	154.3	158	-72.5	176.2	-149.9	0	0	117.4
1035	K	29.1	Very low	30.9	Very low	162 Å²	162	141.8 Å²	141.8	70%	0.704	71%	0.705	S	S	*	*			cis	-155.5	173.1	-4.6	-128.4	163.6	-168	153.5	0	112.4
1036	H	28.1	Very low	31.1	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.806	70%	0.703	S	S	*	*			trans	-20	149.2	163	-76.8	30.7	0	0	0	118.5
1037	E	28.1	Very low	31.1	Very low	141 Å²	141	149.6 Å²	149.6	66%	0.659	70%	0.699	S	S	*	*				-168.8	147.9	73.4	-87.5	-159	109.3	0	0	117.9
1038	K	29.7	Very low	31.3	Very low	160 Å²	160	152.6 Å²	152.6	70%	0.696	70%	0.7	S	S	*	*			trans	47.3	112.2	138	-64.5	176.6	-178.4	150.5	0	125
1039	R	30	Very low	31.2	Very low	209 Å²	209	152.9 Å²	152.9	79%	0.789	70%	0.698	S	S	*	*				74.6	149.7	115.7	-74.5	-175.4	164.4	-94.5	2.1	123.9
1040	R	31.3	Very low	31	Very low	208 Å²	208	157.3 Å²	157.3	79%	0.785	70%	0.702	S	S	*	*			trans	97.5	144.8	155.3	-57.6	-158.9	-177.6	-94.5	10.6	116
1041	D	27.2	Very low	31.1	Very low	112 Å²	112	155.7 Å²	155.7	60%	0.599	70%	0.702	S	S	*	*			cis	-167.9	-174.2	-21.1	-102.9	-39.5	0	0	0	107
1042	V	27.7	Very low	32.4	Very low	130 Å²	130	154.5 Å²	154.5	79%	0.788	71%	0.707	S	S	*	*			trans	100.4	120.8	158.2	-172	0	0	0	0	119.2
1043	S	30.8	Very low	32.6	Very low	118 Å²	118	150.5 Å²	150.5	83%	0.825	70%	0.703	S	S	*	*			trans	-139.3	157.1	149.5	-59.7	0	0	0	0	107.4
1044	P	52	Low	32.7	Very low	107 Å²	107	152.3 Å²	152.3	70%	0.695	71%	0.71	S	S	*	*				-152.8	149.7	125.9	36.5	-19.7	0	0	0	116.8
1045	E	33.5	Very low	32.7	Very low	143 Å²	143	157.5 Å²	157.5	67%	0.668	72%	0.724	S	S	*	*			trans	49.8	149.6	137.8	-67	-159	121.1	0	0	121.8
1046	R	33.2	Very low	32.8	Very low	175 Å²	175	159.7 Å²	159.7	66%	0.66	73%	0.728	S	S	*	*			cis	-166.9	-162.7	17.8	-118.1	163.2	-169.2	158.8	13.8	107.4
1047	R	30.9	Very low	32.8	Very low	183 Å²	183	156.9 Å²	156.9	69%	0.691	72%	0.719	S	S	*	*			cis	-167.8	138.4	2.8	-126.7	167	-173.2	172	2.7	109.7
1048	R	33.3	Very low	32.7	Very low	200 Å²	200	153 Å²	153	76%	0.755	72%	0.717	S	S	*	*			trans	63.2	164.1	148	-67	-175.8	148.5	152	1.2	120.7
1049	E	28.8	Very low	33	Very low	119 Å²	119	151.2 Å²	151.2	56%	0.556	72%	0.724	S	S	*	*			cis	-165.8	-170.2	-26.5	-99.2	176.9	-138.3	0	0	105.7
1050	R	25.1	Very low	34	Very low	202 Å²	202	146.8 Å²	146.8	76%	0.762	72%	0.723	S	S	*	*			cis	-157.3	167.9	8.8	-170.6	161.4	-83.6	-151.5	-5.9	110.2
1051	S	34.8	Very low	34.1	Very low	107 Å²	107	142 Å²	142	75%	0.748	72%	0.721	S	S	*	*			trans	-157.7	-172.2	170.7	-43.4	0	0	0	0	110.2
1052	P	59	Low	34.3	Very low	113 Å²	113	147 Å²	147	73%	0.734	73%	0.732	S	S	*	*			cis	-136.7	-140	-8.5	44	-24.5	0	0	0	113.7
1053	T	33.1	Very low	34.5	Very low	101 Å²	101	151.2 Å²	151.2	62%	0.62	73%	0.733	S	S	*	*			trans	100.7	151.8	165.6	75.1	0	0	0	0	118
1054	R	31.2	Very low	34.5	Very low	218 Å²	218	156.1 Å²	156.1	82%	0.823	73%	0.734	S	S	*	*			cis	-145.9	176.1	7.1	-108.5	123.2	-176.8	152.5	-13.8	108.5
1055	R	29.5	Very low	33.4	Very low	225 Å²	225	162.3 Å²	162.3	85%	0.849	74%	0.744	S	S	*	*			cis	-106.7	-138.2	-6.1	-80	-176.8	173.1	-166.6	0.1	108.4
1056	R	30.7	Very low	33.2	Very low	208 Å²	208	161 Å²	161	79%	0.785	75%	0.75	S	S	*	*			cis	66.2	154.9	3.4	-95.1	180	160.4	-113.9	1.2	117.9
1057	D	28.9	Very low	33	Very low	116 Å²	116	160.1 Å²	160.1	62%	0.62	76%	0.757	S	S	*	*			cis	-145.4	178.2	0.2	-105.9	-53.3	0	0	0	107.6
1058	G	26.5	Very low	33.1	Very low	59 Å²	59	160 Å²	160	61%	0.608	77%	0.765	S	S	*	*			cis	176.7	175.3	3.7	0	0	0	0	0	110.9
1059	S	35.2	Very low	33	Very low	122 Å²	122	160.5 Å²	160.5	85%	0.853	77%	0.767	S	S	*	*			trans	-166.3	176.2	-176.2	-44.3	0	0	0	0	112.3
1060	P	51.5	Low	33	Very low	117 Å²	117	161.4 Å²	161.4	76%	0.76	77%	0.774	S	S	*	*			trans	-145.9	113.6	149.6	36.4	-18.1	0	0	0	119.3
1061	S	33.1	Very low	33.2	Very low	107 Å²	107	158.1 Å²	158.1	75%	0.748	77%	0.771	S	S	*	*			trans	77.1	156	132.8	83	0	0	0	0	120.4
1062	R	30.7	Very low	32.8	Very low	216 Å²	216	160 Å²	160	82%	0.815	77%	0.768	S	S	*	*			cis	-142.1	139.1	21.8	-66.6	178.6	167.5	-172.1	-2.5	115.5
1063	R	33.9	Very low	31.2	Very low	219 Å²	219	161.2 Å²	161.2	83%	0.826	76%	0.764	S	S	*	*			trans	54.7	148.6	133.6	-63.6	-175.3	177	-166	-0.7	120.1
1064	R	30.3	Very low	31	Very low	222 Å²	222	167 Å²	167	84%	0.838	78%	0.775	S	S	*	*			cis	-153.3	149.2	2.5	-145.7	179.1	-180	176.5	-1.8	110.3
1065	R	28.3	Very low	30.7	Very low	237 Å²	237	168.1 Å²	168.1	89%	0.894	78%	0.779	S	S	*	*			trans	-148.8	160.9	163.8	-146.8	179.6	-166.2	-174.6	5.6	110.4
1066	S	30.1	Very low	30.9	Very low	115 Å²	115	162.5 Å²	162.5	80%	0.804	77%	0.774	S	S	*	*			trans	54.7	149.4	163.3	52.1	0	0	0	0	121
1067	L	27.5	Very low	31.8	Very low	156 Å²	156	157.4 Å²	157.4	82%	0.817	77%	0.768	S	S	*	*			trans	-141.5	126.9	158.1	-170	162.3	0	0	0	106.3
1068	E	33.9	Very low	31.7	Very low	180 Å²	180	158.3 Å²	158.3	84%	0.841	77%	0.769	S	S	*	*			trans	-138.4	142.7	177.5	-177.3	-179.8	-144.7	0	0	109.5
1069	R	30.4	Very low	31.6	Very low	212 Å²	212	165.1 Å²	165.1	80%	0.8	78%	0.776	S	S	*	*			trans	-177.3	157.1	171.1	-115.1	-179.4	-79.1	170.1	-6	108.1
1070	L	29.2	Very low	31.4	Very low	137 Å²	137	170.7 Å²	170.7	72%	0.717	78%	0.778	S	S	*	*			cis	-152.7	129.4	12.4	-178.9	66.4	0	0	0	111.7
1071	L	29.6	Very low	30.3	Very low	133 Å²	133	177.5 Å²	177.5	70%	0.696	79%	0.789	S	S	*	*			trans	31.1	126.4	140.2	-110.6	71.5	0	0	0	123.4
1072	E	26.2	Very low	30	Very low	147 Å²	147	176.1 Å²	176.1	69%	0.687	79%	0.792	S	S	*	*				85.7	150.1	119.7	-114.6	-178.3	-136.5	0	0	125.3
1073	Q	26.2	Very low	29.7	Very low	138 Å²	138	169.9 Å²	169.9	65%	0.645	79%	0.794	S	S	*	*			trans	102.4	128.9	142.6	-92	-179.6	68.4	0	0	123.6
1074	R	28.4	Very low	29.5	Very low	222 Å²	222	165.1 Å²	165.1	84%	0.838	79%	0.794	S	S	*	*			trans	88.2	125.3	147.2	-74.5	174.5	179	-96.2	-2.4	122.5
1075	R	25.3	Very low	30.3	Very low	242 Å²	242	159.2 Å²	159.2	91%	0.913	79%	0.785	S	S	*	*			trans	-36.7	144.5	158.7	-60.4	171.5	167.6	168.3	-4.7	115.1
1076	S	32.3	Very low	30.3	Very low	107 Å²	107	155.1 Å²	155.1	75%	0.748	78%	0.776	S	S	*	*			trans	-54.8	171.7	148.2	-35.2	0	0	0	0	111.8
1077	P	50.7	Low	30.4	Very low	101 Å²	101	161.2 Å²	161.2	66%	0.656	78%	0.782	S	S	*	*			cis	-152.8	-163.4	26.2	43.3	-20	0	0	0	117.6
1078	E	25.7	Very low	30.5	Very low	136 Å²	136	164.1 Å²	164.1	64%	0.636	78%	0.782	S	S	*	*			trans	93.1	135.1	140.2	-86.8	-176.3	125	0	0	124.5
1079	R	25	Very low	30.3	Very low	201 Å²	201	159.5 Å²	159.5	76%	0.758	77%	0.774	S	S	*	*			trans	66.7	116.5	147.2	-65.9	171	-162.3	-137.4	4.2	118.6
1080	R	31.7	Very low	30.3	Very low	240 Å²	240	159.3 Å²	159.3	91%	0.906	78%	0.779	S	S	*	*				68.1	105.3	69.6	-79.1	-168.2	171	-157.8	0.9	115
1081	R	28	Very low	30.1	Very low	259 Å²	259	157.6 Å²	157.6	98%	0.977	78%	0.779	S	S	*	*			trans	-163.6	147.9	134.1	-96.9	168.4	-165.8	-154.8	2.9	106.5
1082	G	26.3	Very low	30.2	Very low	79 Å²	79	157.3 Å²	157.3	81%	0.814	78%	0.782	S	S	*	*			cis	134.6	125.6	-3.7	0	0	0	0	0	111.2
1083	G	25.8	Very low	30.4	Very low	84 Å²	84	155.9 Å²	155.9	87%	0.866	78%	0.78	S	S	*	*			trans	150.6	111.8	176	0	0	0	0	0	114.9
1084	S	28.9	Very low	30.8	Very low	119 Å²	119	158 Å²	158	83%	0.832	78%	0.782	S	S	*	*			trans	-101.9	-173.7	149.2	-146.8	0	0	0	0	106.3
1085	P	46.4	Very low	31.1	Very low	98 Å²	98	157.7 Å²	157.7	64%	0.636	78%	0.78	S	S	*	*			cis	-142	-177.5	-1.2	41.9	-21.7	0	0	0	116.7
1086	E	28.4	Very low	31.6	Very low	152 Å²	152	157.1 Å²	157.1	71%	0.71	78%	0.778	S	S	*	*			trans	32.3	125.6	143.5	-68.2	178.4	88.9	0	0	124
1087	R	32.6	Very low	31.4	Very low	243 Å²	243	155.9 Å²	155.9	92%	0.917	78%	0.775	S	S	*	*				-140.1	137.4	124.4	-60.1	-172	-176	-170.9	1.9	107.2
1088	R	29.5	Very low	30.3	Very low	217 Å²	217	162.5 Å²	162.5	82%	0.819	79%	0.787	S	S	*	*			cis	79.9	121.3	24.3	-155.7	162.7	180	154	-5.2	111.8
1089	A	29.2	Very low	30.2	Very low	83 Å²	83	161.1 Å²	161.1	69%	0.686	79%	0.792	S	S	*	*			cis	-149.4	151.9	15.1	0	0	0	0	0	116.4
1090	K	30.3	Very low	31.2	Very low	207 Å²	207	156.3 Å²	156.3	90%	0.9	79%	0.786	S	S	*	*			trans	23.5	133.4	130.8	-58.1	-176.3	174.6	-173.3	0	122.7
1091	S	25.3	Very low	31	Very low	102 Å²	102	152.9 Å²	152.9	71%	0.713	78%	0.781	S	S	*	*			trans	-161.4	123.6	139.4	-140	0	0	0	0	110.4
1092	T	31.9	Very low	30.9	Very low	126 Å²	126	151.5 Å²	151.5	77%	0.773	78%	0.776	S	S	*	*				63.5	143.1	105.8	63.8	0	0	0	0	117.3
1093	D	31.5	Very low	31.1	Very low	117 Å²	117	157.1 Å²	157.1	63%	0.626	77%	0.772	S	S	*	*			cis	-177.6	176.1	-8.5	176.9	22.7	0	0	0	108.1
1094	R	33.1	Very low	31.2	Very low	184 Å²	184	162.1 Å²	162.1	69%	0.694	77%	0.765	S	S	*	*			trans	84	116.9	157.4	-72	143.9	-155.1	-154.3	4	122.5
1095	R	34.8	Very low	31	Very low	214 Å²	214	162.7 Å²	162.7	81%	0.808	75%	0.754	S	S	*	*				75.7	116.4	123.9	-69.5	176.9	-175.9	-159.9	0.1	117.4
1096	R	35.2	Very low	29.9	Very low	231 Å²	231	167.8 Å²	167.8	87%	0.872	76%	0.761	S	S	*	*				79.4	127.4	78.6	172.5	-170	-77	-155.6	-1.6	110.5
1097	A	29.1	Very low	29.8	Very low	81 Å²	81	165 Å²	165	67%	0.669	76%	0.758	S	S	*	*			cis	-142.3	-178.1	17.2	0	0	0	0	0	111.6
1098	R	26.7	Very low	29.5	Very low	240 Å²	240	160.3 Å²	160.3	91%	0.906	75%	0.751	S	S	*	*			cis	-153	141.5	14.2	-137.1	170.5	-147.9	-168.7	5.6	110.3
1099	S	24.1	Very low	29.3	Very low	107 Å²	107	155 Å²	155	75%	0.748	74%	0.739	S	S	*	*			trans	-91.5	-176.6	159.7	-33.6	0	0	0	0	108.6
1100	P	45.7	Very low	29.3	Very low	99 Å²	99	157.3 Å²	157.3	64%	0.643	73%	0.733	S	S	*	*			cis	-149.5	174.5	40.9	44.3	-23.5	0	0	0	119.1
1101	E	27.6	Very low	29.1	Very low	168 Å²	168	157.4 Å²	157.4	79%	0.785	73%	0.728	S	S	*	*			trans	63.3	150.6	149.2	-72.1	161.9	130.3	0	0	119.9
1102	R	27.5	Very low	29.5	Very low	230 Å²	230	159.2 Å²	159.2	87%	0.868	73%	0.73	S	S	*	*			cis	-128.1	156.9	5.9	-63.7	177.8	176.7	-179.4	-1.3	108.5
1103	R	29.1	Very low	29.5	Very low	198 Å²	198	162 Å²	162	75%	0.747	73%	0.726	S	S	*	*			cis	78.6	121.2	35.6	-167.9	-177.8	-168.3	-170.1	7.7	114.6
1104	R	28.6	Very low	29.4	Very low	188 Å²	188	162.9 Å²	162.9	71%	0.709	73%	0.726	S	S	*	*			trans	70.2	161.6	163.4	-85.1	-177.6	168	153.8	0.1	117.2
1105	E	25	Very low	29.4	Very low	131 Å²	131	159.8 Å²	159.8	61%	0.612	72%	0.724	S	S	*	*			cis	-159.5	169.3	-28	-136.5	176.9	116.6	0	0	110.1
1106	R	23.3	Very low	29.4	Very low	205 Å²	205	161 Å²	161	77%	0.774	73%	0.728	S	S	*	*			trans	12.9	107.7	144.1	176.1	177.3	-85.1	-177.5	-6.2	119.8
1107	S	24.8	Very low	29.1	Very low	94 Å²	94	153.7 Å²	153.7	66%	0.657	72%	0.718	S	S	*	*			trans	65.5	162.1	131.3	81.1	0	0	0	0	123.6
1108	L	26.3	Very low	29.1	Very low	144 Å²	144	155 Å²	155	75%	0.754	72%	0.722	S	S	*	*			trans	82.6	118.6	154.8	-71.3	172.1	0	0	0	119.9
1109	D	26.1	Very low	29.3	Very low	107 Å²	107	150.1 Å²	150.1	57%	0.572	71%	0.709	S	S	*	*				84.4	114.3	126.6	-85.5	-18.7	0	0	0	123.5
1110	K	28.7	Very low	29.6	Very low	130 Å²	130	154.2 Å²	154.2	57%	0.565	71%	0.708	S	S	*	*				92.4	125.5	116.8	-81.3	170.3	176.1	77	0	120.6
1111	R	27.5	Very low	28.7	Very low	210 Å²	210	154.3 Å²	154.3	79%	0.792	70%	0.7	S	S	*	*			trans	74.1	146.1	148.5	-60.6	159.1	-167.7	175.4	3	114.8
1112	N	32.5	Very low	28.8	Very low	140 Å²	140	155.9 Å²	155.9	75%	0.749	70%	0.699	S	S	*	*			cis	-108.7	139.3	1.6	-100	-17.8	0	0	0	110.1
1113	R	32	Very low	28.7	Very low	183 Å²	183	151.2 Å²	151.2	69%	0.691	69%	0.687	S	S	*	*				89.1	108.7	58.5	-168.6	163.6	-153.8	179.3	9.2	110.1
1114	E	30.6	Very low	28.6	Very low	136 Å²	136	150 Å²	150	64%	0.636	69%	0.689	S	S	*	*				54.7	141.3	104.2	-52.1	159.7	-158.1	0	0	113.2
1115	D	33.1	Very low	28.6	Very low	120 Å²	120	145.1 Å²	145.1	64%	0.642	69%	0.69	S	S	*	*			cis	-154.7	173.2	5	-125.3	-29.8	0	0	0	108.4	A1117	D1115-A1117 PolarHBondContact OD1-N 2.88Å
1116	R	33.2	Very low	28.6	Very low	238 Å²	238	145.7 Å²	145.7	90%	0.898	70%	0.697	S	S	*	*			cis	-129.4	119.9	37.1	-78	176.5	160.8	149.1	-6.6	114.5
1117	A	29.1	Very low	29	Very low	79 Å²	79	142.5 Å²	142.5	65%	0.653	69%	0.694	S	S	*	*			trans	-81.1	150.3	136.7	0	0	0	0	0	110.4	D1115	D1115-A1117 PolarHBondContact OD1-N 2.88Å
1118	S	30.8	Very low	29.2	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	70%	0.696	S	S	*	*			trans	-170.8	139.6	147.4	54.5	0	0	0	0	112.5
1119	H	30.6	Very low	29.4	Very low	137 Å²	137	146.6 Å²	146.6	63%	0.634	70%	0.697	S	S	*	*			cis	-167.8	110.6	-22.4	-175.2	-94.9	0	0	0	110.7	E1121	H1119-E1121 IonicContact CE1-OE2 3.56Å; H1119-E1121 IonicContact ND1-OE2 3.39Å; H1119-E1121 IonicContact NE2-OE1 2.3Å; H1119-E1121 IonicContact NE2-OE2 2.71Å; H1119-E1121 PolarHBondContact NE2-OE2 3.01Å
1120	R	29.1	Very low	29.5	Very low	193 Å²	193	148.3 Å²	148.3	73%	0.728	71%	0.706	S	S	*	*			trans	45.7	-165.7	148.8	-46.1	-172.2	-169	158.2	7.9	117.4
1121	E	28	Very low	29.6	Very low	100 Å²	100	146.8 Å²	146.8	47%	0.467	72%	0.718	S	S	.	*			cis	-144.6	143.9	-3.2	-139	129.3	-158.2	0	0	106.3	H1119	H1119-E1121 IonicContact CE1-OE2 3.56Å; H1119-E1121 IonicContact ND1-OE2 3.39Å; H1119-E1121 IonicContact NE2-OE1 2.3Å; H1119-E1121 IonicContact NE2-OE2 2.71Å; H1119-E1121 PolarHBondContact NE2-OE2 3.01Å
1122	R	28.8	Very low	29.6	Very low	201 Å²	201	139.9 Å²	139.9	76%	0.758	71%	0.712	S	S	*	*				61.7	141.5	91.3	-119.7	-163.3	-154	-106.9	3	111.9
1123	E	25.5	Very low	29.5	Very low	132 Å²	132	145 Å²	145	62%	0.617	72%	0.721	S	S	*	*			cis	-149.6	162.8	23.7	-89.5	177.9	143.8	0	0	114.7
1124	E	26.4	Very low	29.3	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	73%	0.725	S	S	*	*			trans	37.7	150.2	140.1	-58	-162.3	133.2	0	0	126.5
1125	A	28.6	Very low	29.2	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	73%	0.732	S	S	*	*			trans	66.6	102.3	137.1	0	0	0	0	0	123.6
1126	N	25.7	Very low	29	Very low	142 Å²	142	145.7 Å²	145.7	76%	0.759	74%	0.743	S	S	*	*				72.8	153.1	114.9	-156.1	9	0	0	0	120.3
1127	L	30.9	Very low	28.8	Very low	138 Å²	138	143.2 Å²	143.2	72%	0.723	74%	0.741	S	S	*	*			trans	66	149.1	171.4	-61.1	162.8	0	0	0	115.7
1128	K	29.2	Very low	30.2	Very low	161 Å²	161	144.4 Å²	144.4	70%	0.7	74%	0.742	S	S	*	*			cis	-168.3	163.9	-26.6	-143.9	-174.9	-165	173.3	0	107.7
1129	Q	30.5	Very low	31	Very low	164 Å²	164	145.1 Å²	145.1	77%	0.766	75%	0.745	S	S	*	*			trans	65.1	164.6	158.6	-74.6	172.5	-42.5	0	0	117.5
1130	D	27.7	Very low	31	Very low	142 Å²	142	147.1 Å²	147.1	76%	0.759	75%	0.754	S	S	*	*			cis	-160.7	163.5	-43.9	-146.3	-43.2	0	0	0	108.6
1131	A	31.1	Very low	31.1	Very low	98 Å²	98	147.3 Å²	147.3	81%	0.81	76%	0.763	S	S	*	*			trans	59.6	156.6	170.3	0	0	0	0	0	118.5
1132	G	28.8	Very low	31.3	Very low	66 Å²	66	153.9 Å²	153.9	68%	0.68	78%	0.784	S	S	*	*			cis	171	122.1	-13.3	0	0	0	0	0	115.7
1133	R	30.4	Very low	31.5	Very low	246 Å²	246	156.4 Å²	156.4	93%	0.928	79%	0.793	S	S	*	*			trans	56	118.3	144.1	-68.6	-176.3	171.5	-168.4	-1.7	121.3
1134	S	27.8	Very low	32.1	Very low	112 Å²	112	161.6 Å²	161.6	78%	0.783	81%	0.807	S	S	*	*				62.8	123.9	121	172.4	0	0	0	0	121.1
1135	S	28.7	Very low	33.6	Very low	112 Å²	112	158.8 Å²	158.8	78%	0.783	80%	0.804	S	S	*	*				-162.6	168.9	120.5	-154.4	0	0	0	0	115.2
1136	R	29	Very low	33.7	Very low	230 Å²	230	164.1 Å²	164.1	87%	0.868	81%	0.807	S	S	*	*			trans	-76.3	174.6	-161.3	-57.3	162.9	176.3	166.9	-3	116.4
1137	H	28.8	Very low	34	Very low	187 Å²	187	164.3 Å²	164.3	87%	0.866	80%	0.801	S	S	*	*			trans	-46.6	170.3	169	-89.3	-62.8	0	0	0	118
1138	P	57	Low	34	Very low	104 Å²	104	164.3 Å²	164.3	68%	0.675	80%	0.797	S	S	*	*			trans	-103.5	-165.4	-147.5	43.7	-40.4	0	0	0	114.6
1139	P	47.2	Very low	34.1	Very low	124 Å²	124	161.8 Å²	161.8	81%	0.805	80%	0.799	S	S	*	*				-132.1	-173.1	125.6	39.9	-31	0	0	0	115.1
1140	E	31	Very low	34.2	Very low	179 Å²	179	158.9 Å²	158.9	84%	0.836	80%	0.796	S	S	*	*			trans	-74	161.8	-164.1	-49.3	164.1	90.5	0	0	116.7
1141	Q	32	Very low	35	Very low	197 Å²	197	158.5 Å²	158.5	92%	0.921	80%	0.799	S	S	*	*				-164.9	151.4	110.2	-103.4	177	40	0	0	113.5
1142	R	32	Very low	35	Very low	238 Å²	238	161.6 Å²	161.6	90%	0.898	80%	0.802	S	S	*	*			trans	-93.7	141.8	178.3	-82.5	172.1	151.5	-178.2	-4.5	112.1
1143	R	34.3	Very low	35.5	Very low	253 Å²	253	165.7 Å²	165.7	96%	0.955	81%	0.807	S	S	*	*			trans	-160	153.4	138.4	-109.8	161.4	-164.7	-143.5	3.8	114.7
1144	R	36.1	Very low	35.9	Very low	242 Å²	242	159.2 Å²	159.2	91%	0.913	80%	0.8	S	S	*	*			trans	-70.7	176.6	-155.1	-80.4	-178.7	170.9	-176.6	-3	118.7
1145	P	58.7	Low	36.4	Very low	112 Å²	112	165.6 Å²	165.6	73%	0.727	82%	0.823	S	S	*	*			trans	-113.9	172.7	-173.5	43.2	-33.7	0	0	0	115.8
1146	Y	30.1	Very low	36.8	Very low	199 Å²	199	168.3 Å²	168.3	78%	0.78	83%	0.825	S	S	*	*			trans	-146.8	143.1	150.3	-100.7	-96.2	0	0	0	106.2
1147	K	32.6	Very low	37.2	Very low	147 Å²	147	165.1 Å²	165.1	64%	0.639	82%	0.823	S	S	*	*				64.4	135.8	53.6	-85.6	-162	176.9	-73.9	0	113.5
1148	E	31.9	Very low	37.7	Very low	138 Å²	138	163.8 Å²	163.8	65%	0.645	82%	0.82	S	S	*	*			cis	-173.1	159.4	-14.1	-133.4	166	-144.5	0	0	111.1
1149	C	30.8	Very low	36.6	Very low	108 Å²	108	167.4 Å²	167.4	73%	0.73	83%	0.829	S	S	*	*			trans	66	158.2	151.9	-67.6	0	0	0	0	123.4
1150	S	32.9	Very low	35.9	Very low	102 Å²	102	170.1 Å²	170.1	71%	0.713	83%	0.83	S	S	*	*			trans	63.9	113	161.3	-74.9	0	0	0	0	119.1
1151	T	43.3	Very low	36.2	Very low	135 Å²	135	169.5 Å²	169.5	83%	0.828	83%	0.83	S	S	*	*				70.5	117.5	61.8	67.1	0	0	0	0	114.2
1152	D	30.8	Very low	36.5	Very low	162 Å²	162	167.5 Å²	167.5	87%	0.866	82%	0.823	S	S	*	*			trans	-142.3	169.8	153.3	-146.1	-23.6	0	0	0	109.8
1153	L	40.6	Very low	36.9	Very low	152 Å²	152	162.1 Å²	162.1	80%	0.796	82%	0.818	S	S	*	*			trans	-108.1	165.5	-157.8	-74.1	154.2	0	0	0	115
1154	S	38.7	Very low	37.1	Very low	110 Å²	110	154.5 Å²	154.5	77%	0.769	81%	0.806	S	S	*	*			trans	66	103.1	155.1	-55.5	0	0	0	0	119.1
1155	I	38.6	Very low	37.2	Very low	247 Å²	247	146.5 Å²	146.5	100%	1.267	80%	0.796	S	S	*	*				-155.8	0	101.8	-95.7	160.8	0	0	0	108.7

Retrieved 1,155 of 1,155 residues in 364.6 ms (Link to these results)

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