A0A3Q0KQU8_SCHMA Loading...

Ras-associating domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQU8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,052 aa.

						>A0A3Q0KQU8_SCHMA|A0A3Q0KQU8
MGGFTLRKSGCIPPKFIRLPSGKLLDCGCKVLVHNVSDLQYVCSRLNISEDQKFFIITEYNGEKSLVPIFYPHHPNVLHNRTSKLLIAYYLCEQFHLKCIQLDNPQDCADIKLVSDVVIANKNQLNTSEEDSKALEELLNSEELFTRLLSVLLSIPELTTQWVHVKDQKGQLYQIGINRDGLIIHQEFVESLSTHFSWQDLGNATANRSIVTLPISMNAENAEKLMDFIDIKSSTKMKSASNMANIKDDRNNSQSIENDKNTSQQYILKFRLSDAKIAQRLALQLYTICNRVIKESNNNNNTRIQHSDVEEEEDDKNTTSGMLTRFNRQFCDTFRCFSRPFNMKSKISKRKPCSTLLDPNTTTQDVNNNINNNNIEASITVQPSSISDPTLLTDNNVLPISTTSIPTTSVTFVTSSISSNSGCVTVKSSVHDNVDDENLKNWSYSPMYSSIQMNAPTMISTNQSPITATTHTTFTSNSKLNQSNIITTNYEKVPVVVEPIEVAAGEAPAELNERDKQVLHSLLMNKSPMIVSSVPVNNFSYTITNTSMMTTTTPIKSVSNESSSPVLSSFNNLSSVAMNKSNSTFRTESSNISPTINTTITTSGTTKTISNQSFAHETNRSTINEDNLSKQYTNECTFSSSAIPTNVNLATFSHSSSSMHTEISGQKNFIPSANNSNVTNTHFVQSKWDTTVVEKPISHDESLNLQATSEHVSCATGSSMKSVTAHSVSVVTTKSNGASTVDDHNVKSAVSHASSLYAPQPYATINSDTNNNISNDTKPTLNGFKSVMEDDSLKITNSTSISSPSTISTSDSFQSRIKPPSFTVKTSDFNKISTTKVTSTVKVDESFNPNHVIQNNNNTVSNSFHTPESIKSHSKIDSPEKNNASSTPPISCSASVTGIRPPSGIKAPSITPDKMKPRITTNGHTNPSATDTLFTSTHDDMTYNKKQIPTSVEPTCELIKRQESITEDSLEHPSSLPRPLGISPSSHGKVQSKLRPLSGNSPIPNSGIPAPSIMPPSVSGQSHMPVPMNNTSIPLPSGIKPPSRSPKSALAK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.1	Very low	30.8	Very low	254 Å²	254	148.4 Å²	148.4	100%	1.251	85%	0.851	S	S	*	*				0	131.7	0	-53.6	-179.3	-72.4	0	0	106.6
2	G	28.3	Very low	31.5	Very low	79 Å²	79	143 Å²	143	81%	0.814	82%	0.816	S	S	*	*			cis	170.7	152.8	-3.4	0	0	0	0	0	106
3	G	23.4	Very low	32	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	79%	0.786	S	S	*	*			cis	154.3	53.1	11.3	0	0	0	0	0	109.4	T5	G3-T5 PolarHBondContact O-N 2.88Å
4	F	29	Very low	33.3	Very low	200 Å²	200	136 Å²	136	88%	0.877	79%	0.786	S	S	*	*			trans	-85.6	89.1	-173	-88.9	-79.2	0	0	0	112.8	L6	F4-L6 PolarHBondContact O-N 3.03Å
5	T	28.7	Very low	34.4	Very low	133 Å²	133	134 Å²	134	82%	0.816	77%	0.765	S	S	*	*			trans	-92.6	82.9	172.8	38.4	0	0	0	0	111.9	G3 R7	G3-T5 PolarHBondContact O-N 2.88Å; T5-R7 VanDerWaalsContact C-N 3.32Å; T5-R7 PolarHBondContact O-N 3.4Å
6	L	33.7	Very low	35	Very low	163 Å²	163	129.8 Å²	129.8	85%	0.853	74%	0.735	S	S	*	*			trans	-75.1	79.2	173.1	-99.4	161.1	0	0	0	112	F4	F4-L6 PolarHBondContact O-N 3.03Å
7	R	29.1	Very low	35.7	Very low	242 Å²	242	124.6 Å²	124.6	91%	0.913	70%	0.704	S	S	*	*			trans	-104	93	159.7	-78.9	-167.4	-179.9	-168.4	2.3	110	T5	T5-R7 VanDerWaalsContact C-N 3.32Å; T5-R7 PolarHBondContact O-N 3.4Å
8	K	33	Very low	36.1	Very low	197 Å²	197	123.6 Å²	123.6	86%	0.857	69%	0.687	S	S	*	*			trans	-162.7	137.8	163.7	-112.7	170.4	-175.9	-179.3	0	111
9	S	35	Very low	36.5	Very low	117 Å²	117	119 Å²	119	82%	0.818	66%	0.661	S	S	*	*	S	Bend	trans	64.8	139.9	-172.8	-153.1	0	0	0	0	115.8	C11	S9-C11 PolarHBondContact O-N 3.14Å
10	G	31.5	Very low	36.3	Very low	70 Å²	70	113.9 Å²	113.9	72%	0.722	63%	0.634	S	S	*	*			trans	-92.9	46.9	-171	0	0	0	0	0	114.4	I12	G10-I12 PolarHBondContact O-N 3.42Å
11	C	35.3	Very low	36.4	Very low	110 Å²	110	110.8 Å²	110.8	74%	0.743	62%	0.62	S	S	*	*			trans	-67.9	113.6	174.7	-66.4	0	0	0	0	110.3	S9	S9-C11 PolarHBondContact O-N 3.14Å
12	I	38.6	Very low	36.7	Very low	84 Å²	84	100 Å²	100	43%	0.431	57%	0.574	S	S	.	*			trans	-61.4	127.4	167.2	-64.2	166.8	0	0	0	107.5	G10 F16 L24	G10-I12 PolarHBondContact O-N 3.42Å; I12-F16 HydrophobicContact CG2-CB 3.7Å; I12-L24 HydrophobicContact CD1-CD2 3.88Å; I12-L24 HydrophobicContact CG1-CD2 4.36Å; I12-L24 HydrophobicContact CG2-CD2 4.17Å
13	P	38.2	Very low	37.5	Very low	66 Å²	66	102.3 Å²	102.3	43%	0.429	56%	0.561	S	S	.	*			trans	-61.4	149.1	176.6	-22.2	32.8	0	0	0	111.1	K15 F16	P13-K15 PolarHBondContact O-N 3.41Å; P13-F16 HydrophobicContact CB-CD2 4.17Å; P13-F16 HydrophobicContact CB-CE2 4.35Å; P13-F16 HydrophobicContact CG-CD2 4.21Å; P13-F16 HydrophobicContact CG-CE2 4.19Å; P13-F16 PolarHBondContact O-N 3.36Å
14	P	50.8	Low	38.7	Very low	122 Å²	122	103.6 Å²	103.6	79%	0.792	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	8.3	178.4	28.9	-36.9	0	0	0	114.6
15	K	49.9	Very low	39.2	Very low	106 Å²	106	97.7 Å²	97.7	46%	0.461	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.3	169	-64.8	-173.2	173.7	-172.4	0	113.5	P13 C27	P13-K15 PolarHBondContact O-N 3.41Å; K15-C27 VanDerWaalsContact O-CB 3.31Å; K15-C27 WeakPolarHBondContact O-CB 3.12Å; K15-C27 PolarHBondContact O-N 2.82Å
16	F	43.4	Very low	40.3	Very low	67 Å²	67	95.1 Å²	95.1	29%	0.294	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.4	-178.8	-56	-94.4	0	0	0	111.3	I12 P13 L24 L25 D26	I12-F16 HydrophobicContact CG2-CB 3.7Å; P13-F16 HydrophobicContact CB-CD2 4.17Å; P13-F16 HydrophobicContact CB-CE2 4.35Å; P13-F16 HydrophobicContact CG-CD2 4.21Å; P13-F16 HydrophobicContact CG-CE2 4.19Å; P13-F16 PolarHBondContact O-N 3.36Å; F16-L24 HydrophobicContact CB-CB 4.41Å; F16-L24 HydrophobicContact CB-CD2 4.34Å; F16-L24 HydrophobicContact CD1-CB 4.14Å; F16-L25 VanDerWaalsContact CA-O 3.28Å; F16-L25 WeakPolarHBondContact CA-O 3.3Å; F16-D26 HydrophobicContact CD1-CB 3.81Å; F16-D26 HydrophobicContact CE1-CB 3.59Å
17	I	47.3	Very low	41.2	Very low	41 Å²	41	89.8 Å²	89.8	21%	0.21	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.6	165.2	-65	171.9	0	0	0	107.1	L25 L85	I17-L25 HydrophobicContact CB-CB 4.46Å; I17-L25 PolarHBondContact N-O 3.44Å; I17-L25 WeakPolarHBondContact O-CB 3.23Å; I17-L25 PolarHBondContact O-N 2.9Å; I17-L85 HydrophobicContact CD1-CD2 4.29Å
18	R	42.2	Very low	41.6	Very low	106 Å²	106	79.9 Å²	79.9	40%	0.4	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.8	170.1	-162.3	169	-165	-135.1	-2.3	109	G22 L24 N121	R18-G22 PolarHBondContact NE-O 3.14Å; R18-G22 PolarHBondContact NH2-O 3.11Å; R18-L24 HydrophobicContact CB-CD2 4.06Å; R18-L24 HydrophobicContact CG-CD2 4.05Å; R18-N121 PolarHBondContact O-OD1 3.29Å
19	L	43.3	Very low	41.4	Very low	37 Å²	37	75.1 Å²	75.1	19%	0.194	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-75.4	153.4	172.6	-60.9	-179.9	0	0	0	109.7	S21 G22 K23 L25	L19-S21 PolarHBondContact O-N 3.3Å; L19-G22 WeakPolarHBondContact O-CA 3.24Å; L19-G22 PolarHBondContact O-N 2.94Å; L19-K23 HydrophobicContact CB-CB 4.42Å; L19-K23 HydrophobicContact CD1-CB 4.29Å; L19-K23 PolarHBondContact N-O 2.75Å; L19-L25 HydrophobicContact CD1-CB 4.32Å; L19-L25 HydrophobicContact CD2-CB 4.2Å; L19-L25 HydrophobicContact CD2-CD2 4.44Å; L19-L25 HydrophobicContact CG-CB 4.05Å
20	P	32.5	Very low	41	Very low	17 Å²	17	78.5 Å²	78.5	11%	0.11	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.7	173.5	-30.4	39.1	0	0	0	113.9	G22 V117 T127 S132 L135	P20-G22 PolarHBondContact O-N 3.3Å; P20-V117 HydrophobicContact CG-CG1 3.61Å; P20-V117 HydrophobicContact CG-CG2 4.31Å; P20-T127 WeakPolarHBondContact CB-OG1 3.37Å; P20-S132 VanDerWaalsContact CB-CA 3.42Å; P20-S132 WeakPolarHBondContact CB-OG 3.34Å; P20-S132 PolarHBondContact O-OG 2.79Å; P20-L135 HydrophobicContact CG-CD2 4.03Å
21	S	39	Very low	40.8	Very low	49 Å²	49	78.4 Å²	78.4	34%	0.343	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	11.4	171.3	61.2	0	0	0	0	115.1	L19 K23 E136	L19-S21 PolarHBondContact O-N 3.3Å; S21-K23 PolarHBondContact O-N 3.43Å; S21-K23 WeakPolarHBondContact OG-CD 3.1Å; S21-E136 WeakPolarHBondContact CB-OE1 3.28Å; S21-E136 PolarHBondContact OG-OE1 3.24Å
22	G	37.5	Very low	40.3	Very low	27 Å²	27	80.7 Å²	80.7	28%	0.278	44%	0.439	S	S	.	.	S	Bend	trans	74.4	-13.9	179	0	0	0	0	0	115.1	R18 L19 P20	R18-G22 PolarHBondContact NE-O 3.14Å; R18-G22 PolarHBondContact NH2-O 3.11Å; L19-G22 WeakPolarHBondContact O-CA 3.24Å; L19-G22 PolarHBondContact O-N 2.94Å; P20-G22 PolarHBondContact O-N 3.3Å
23	K	45.8	Very low	39.9	Very low	128 Å²	128	79.6 Å²	79.6	56%	0.557	44%	0.436	S	S	*	.			trans	-60.9	142.4	176.2	-63.6	172.8	-169.8	156.2	0	110.7	L19 S21	L19-K23 HydrophobicContact CB-CB 4.42Å; L19-K23 HydrophobicContact CD1-CB 4.29Å; L19-K23 PolarHBondContact N-O 2.75Å; S21-K23 PolarHBondContact O-N 3.43Å; S21-K23 WeakPolarHBondContact OG-CD 3.1Å
24	L	47.9	Very low	39.5	Very low	93 Å²	93	83.8 Å²	83.8	49%	0.487	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.6	167.6	-65.9	171.8	0	0	0	108.4	I12 F16 R18 D26	I12-L24 HydrophobicContact CD1-CD2 3.88Å; I12-L24 HydrophobicContact CG1-CD2 4.36Å; I12-L24 HydrophobicContact CG2-CD2 4.17Å; F16-L24 HydrophobicContact CB-CB 4.41Å; F16-L24 HydrophobicContact CB-CD2 4.34Å; F16-L24 HydrophobicContact CD1-CB 4.14Å; R18-L24 HydrophobicContact CB-CD2 4.06Å; R18-L24 HydrophobicContact CG-CD2 4.05Å; L24-D26 PolarHBondContact O-N 2.77Å
25	L	41.2	Very low	38.9	Very low	77 Å²	77	81.2 Å²	81.2	40%	0.403	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103.9	167.9	-176.4	78.2	0	0	0	107.9	F16 I17 L19 C27	F16-L25 VanDerWaalsContact CA-O 3.28Å; F16-L25 WeakPolarHBondContact CA-O 3.3Å; I17-L25 HydrophobicContact CB-CB 4.46Å; I17-L25 PolarHBondContact N-O 3.44Å; I17-L25 WeakPolarHBondContact O-CB 3.23Å; I17-L25 PolarHBondContact O-N 2.9Å; L19-L25 HydrophobicContact CD1-CB 4.32Å; L19-L25 HydrophobicContact CD2-CB 4.2Å; L19-L25 HydrophobicContact CD2-CD2 4.44Å; L19-L25 HydrophobicContact CG-CB 4.05Å; L25-C27 PolarHBondContact O-N 2.84Å
26	D	52	Low	38.3	Very low	79 Å²	79	79.3 Å²	79.3	42%	0.422	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	118.9	167.8	-169	-22.2	0	0	0	108.8	F16 L24 G28	F16-D26 HydrophobicContact CD1-CB 3.81Å; F16-D26 HydrophobicContact CE1-CB 3.59Å; L24-D26 PolarHBondContact O-N 2.77Å; D26-G28 PolarHBondContact O-N 3.36Å; D26-G28 WeakPolarHBondContact OD1-CA 3.5Å; D26-G28 PolarHBondContact OD1-N 3.49Å
27	C	51.8	Low	38.1	Very low	50 Å²	50	79.3 Å²	79.3	34%	0.338	44%	0.435	S	S	.	.			trans	-73.4	2.3	176.8	-59.6	0	0	0	0	113	K15 L25	K15-C27 VanDerWaalsContact O-CB 3.31Å; K15-C27 WeakPolarHBondContact O-CB 3.12Å; K15-C27 PolarHBondContact O-N 2.82Å; L25-C27 PolarHBondContact O-N 2.84Å
28	G	38	Very low	37.8	Very low	34 Å²	34	80.5 Å²	80.5	35%	0.351	44%	0.441	S	S	.	.			trans	92	122.5	162.2	0	0	0	0	0	113.4	D26 K30	D26-G28 PolarHBondContact O-N 3.36Å; D26-G28 WeakPolarHBondContact OD1-CA 3.5Å; D26-G28 PolarHBondContact OD1-N 3.49Å; G28-K30 PolarHBondContact O-N 2.84Å
29	C	27.4	Very low	37.7	Very low	98 Å²	98	78.4 Å²	78.4	66%	0.662	44%	0.438	S	S	*	.	S	Bend	trans	-76	57	174.2	-73	0	0	0	0	113.4
30	K	26.5	Very low	37.7	Very low	188 Å²	188	82.7 Å²	82.7	82%	0.817	46%	0.457	S	S	*	.			trans	-132.2	33.6	159.8	-89.8	-165.4	174.9	-174.8	0	111.8	G28 L32 K64	G28-K30 PolarHBondContact O-N 2.84Å; K30-L32 PolarHBondContact O-N 2.91Å; K30-K64 PolarHBondContact O-NZ 3.34Å
31	V	28.1	Very low	38.3	Very low	67 Å²	67	86.6 Å²	86.6	41%	0.406	47%	0.47	S	S	.	.			trans	-81.4	107.9	158.4	-173.3	0	0	0	0	106.8	V33 K64	V31-V33 VanDerWaalsContact C-N 3.3Å; V31-V33 HydrophobicContact CB-CG2 4.19Å; V31-V33 HydrophobicContact CG1-CB 4.23Å; V31-V33 HydrophobicContact CG1-CG1 4.04Å; V31-V33 HydrophobicContact CG1-CG2 3.99Å; V31-V33 WeakPolarHBondContact O-CG2 3.09Å; V31-V33 PolarHBondContact O-N 2.94Å; V31-V33 VanDerWaalsContact O-N 3.09Å; V31-K64 HydrophobicContact CG1-CD 4.33Å
32	L	24.3	Very low	38.4	Very low	158 Å²	158	85.8 Å²	85.8	83%	0.827	46%	0.463	S	S	*	.			trans	-72.4	97.9	160	-129.5	172.2	0	0	0	105.3	K30 H34	K30-L32 PolarHBondContact O-N 2.91Å; L32-H34 PolarHBondContact O-N 3.18Å
33	V	30.3	Very low	38.8	Very low	62 Å²	62	86.2 Å²	86.2	38%	0.376	46%	0.461	S	S	.	.			trans	-85.4	110.9	-167.9	-140.1	0	0	0	0	107.8	V31 N35 V36	V31-V33 VanDerWaalsContact C-N 3.3Å; V31-V33 HydrophobicContact CB-CG2 4.19Å; V31-V33 HydrophobicContact CG1-CB 4.23Å; V31-V33 HydrophobicContact CG1-CG1 4.04Å; V31-V33 HydrophobicContact CG1-CG2 3.99Å; V31-V33 WeakPolarHBondContact O-CG2 3.09Å; V31-V33 PolarHBondContact O-N 2.94Å; V31-V33 VanDerWaalsContact O-N 3.09Å; V33-N35 PolarHBondContact O-N 2.89Å; V33-V36 HydrophobicContact CG1-CG2 4.09Å
34	H	30.9	Very low	38.8	Very low	153 Å²	153	84 Å²	84	71%	0.708	46%	0.462	S	S	*	.	S	Bend	trans	-58.3	105.5	136.8	-97.5	-57.1	0	0	0	104.4	L32 D38	L32-H34 PolarHBondContact O-N 3.18Å; H34-D38 IonicContact ND1-OD2 3.21Å
35	N	36.8	Very low	38.7	Very low	69 Å²	69	84.8 Å²	84.8	37%	0.369	46%	0.458	S	S	.	.			trans	-49.6	152.4	-145.9	-169.7	-8.2	0	0	0	112.1	V33 S37 D38 L39	V33-N35 PolarHBondContact O-N 2.89Å; N35-S37 WeakPolarHBondContact ND2-CB 3.32Å; N35-S37 PolarHBondContact ND2-OG 2.63Å; N35-S37 PolarHBondContact O-N 3.26Å; N35-S37 PolarHBondContact OD1-N 2.85Å; N35-S37 VanDerWaalsContact OD1-N 3.15Å; N35-S37 PolarHBondContact OD1-OG 3.2Å; N35-D38 VanDerWaalsContact C-N 3.34Å; N35-D38 HydrophobicContact CB-CB 3.93Å; N35-D38 WeakPolarHBondContact CB-OD1 3.19Å; N35-D38 WeakPolarHBondContact CB-OD2 3.46Å; N35-D38 PolarHBondContact N-OD2 3.19Å; N35-D38 CarbonylContact O-C 3.5Å; N35-D38 WeakPolarHBondContact O-CA 3.48Å; N35-D38 WeakPolarHBondContact O-CB 3.28Å; N35-D38 PolarHBondContact O-N 3.03Å; N35-L39 PolarHBondContact O-N 3.03Å
36	V	37.9	Very low	38.6	Very low	66 Å²	66	83.4 Å²	83.4	40%	0.4	45%	0.451	S	S	.	.	H	α-helix	trans	-58.1	-31.9	167.1	176.6	0	0	0	0	109.1	V33 Q40	V33-V36 HydrophobicContact CG1-CG2 4.09Å; V36-Q40 HydrophobicContact CG1-CG 4.49Å; V36-Q40 VanDerWaalsContact O-CB 3.27Å; V36-Q40 WeakPolarHBondContact O-CB 3.47Å; V36-Q40 WeakPolarHBondContact O-CG 3.24Å; V36-Q40 PolarHBondContact O-N 3.47Å
37	S	39.8	Very low	38	Very low	67 Å²	67	83.7 Å²	83.7	47%	0.469	45%	0.453	S	S	.	.	H	α-helix	trans	-66.9	-30	166.8	-43.9	0	0	0	0	114.4	N35 Y41	N35-S37 WeakPolarHBondContact ND2-CB 3.32Å; N35-S37 PolarHBondContact ND2-OG 2.63Å; N35-S37 PolarHBondContact O-N 3.26Å; N35-S37 PolarHBondContact OD1-N 2.85Å; N35-S37 VanDerWaalsContact OD1-N 3.15Å; N35-S37 PolarHBondContact OD1-OG 3.2Å; S37-Y41 WeakPolarHBondContact O-CA 3.48Å; S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.4Å
38	D	39.8	Very low	37.5	Very low	66 Å²	66	83 Å²	83	35%	0.353	45%	0.445	S	S	.	.	H	α-helix	trans	-75	-42.3	175.6	-62.2	-13	0	0	0	110.1	H34 N35 Y41 V42	H34-D38 IonicContact ND1-OD2 3.21Å; N35-D38 VanDerWaalsContact C-N 3.34Å; N35-D38 HydrophobicContact CB-CB 3.93Å; N35-D38 WeakPolarHBondContact CB-OD1 3.19Å; N35-D38 WeakPolarHBondContact CB-OD2 3.46Å; N35-D38 PolarHBondContact N-OD2 3.19Å; N35-D38 CarbonylContact O-C 3.5Å; N35-D38 WeakPolarHBondContact O-CA 3.48Å; N35-D38 WeakPolarHBondContact O-CB 3.28Å; N35-D38 PolarHBondContact O-N 3.03Å; D38-Y41 CarbonylContact O-C 2.76Å; D38-Y41 WeakPolarHBondContact O-CB 3.41Å; D38-Y41 PolarHBondContact O-N 3.13Å; D38-V42 WeakPolarHBondContact O-CB 3.17Å; D38-V42 VanDerWaalsContact O-CG2 3.28Å; D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.05Å
39	L	41.2	Very low	37.9	Very low	61 Å²	61	85.3 Å²	85.3	32%	0.319	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-46.2	173.4	-179.7	61.3	0	0	0	110.4	N35 Y41 V42 C43 L66	N35-L39 PolarHBondContact O-N 3.03Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-Y41 PolarHBondContact O-N 3.21Å; L39-V42 PolarHBondContact O-N 2.72Å; L39-C43 WeakPolarHBondContact O-CB 3.22Å; L39-C43 PolarHBondContact O-N 3Å; L39-C43 PolarHBondContact O-SG 3.11Å; L39-L66 HydrophobicContact CD1-CD1 4.08Å; L39-L66 HydrophobicContact CD1-CD2 3.65Å
40	Q	43.6	Very low	38.4	Very low	128 Å²	128	89 Å²	89	60%	0.598	46%	0.463	S	S	*	.	H	α-helix	trans	-64.7	-34.2	172.9	-73.3	175	-13.1	0	0	112.3	V36 S44	V36-Q40 HydrophobicContact CG1-CG 4.49Å; V36-Q40 VanDerWaalsContact O-CB 3.27Å; V36-Q40 WeakPolarHBondContact O-CB 3.47Å; V36-Q40 WeakPolarHBondContact O-CG 3.24Å; V36-Q40 PolarHBondContact O-N 3.47Å; Q40-S44 VanDerWaalsContact O-CB 3.25Å; Q40-S44 WeakPolarHBondContact O-CB 3.26Å; Q40-S44 PolarHBondContact O-N 2.97Å; Q40-S44 PolarHBondContact O-OG 3.15Å
41	Y	44	Very low	39.1	Very low	99 Å²	99	82.3 Å²	82.3	39%	0.388	44%	0.436	S	S	.	.	H	α-helix	trans	-68.5	-39.9	173.3	174.9	-101	0	0	0	111.7	S37 D38 L39 S44 R45 S338	S37-Y41 WeakPolarHBondContact O-CA 3.48Å; S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.4Å; D38-Y41 CarbonylContact O-C 2.76Å; D38-Y41 WeakPolarHBondContact O-CB 3.41Å; D38-Y41 PolarHBondContact O-N 3.13Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-Y41 PolarHBondContact O-N 3.21Å; Y41-S44 WeakPolarHBondContact CA-OG 3.47Å; Y41-S44 PolarHBondContact O-OG 3Å; Y41-R45 HydrophobicContact CD1-CG 4.15Å; Y41-R45 HydrophobicContact CD2-CG 4.08Å; Y41-R45 HydrophobicContact CE1-CG 3.95Å; Y41-R45 HydrophobicContact CE2-CG 3.88Å; Y41-R45 HydrophobicContact CG-CG 4.22Å; Y41-R45 WeakPolarHBondContact O-CA 3.45Å; Y41-R45 WeakPolarHBondContact O-CB 3.45Å; Y41-R45 WeakPolarHBondContact O-CG 3.37Å; Y41-R45 PolarHBondContact O-N 2.82Å; Y41-R45 PolarHBondContact OH-NE 3.42Å; Y41-R45 VanDerWaalsContact OH-NE 3.1Å; Y41-R45 PolarHBondContact OH-NH2 3.47Å; Y41-S338 PolarHBondContact OH-OG 2.98Å
42	V	42.5	Very low	39.7	Very low	31 Å²	31	87.4 Å²	87.4	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-66.2	-49.8	174.2	168.2	0	0	0	0	110.2	D38 L39 S44 R45 L46 F334	D38-V42 WeakPolarHBondContact O-CB 3.17Å; D38-V42 VanDerWaalsContact O-CG2 3.28Å; D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.05Å; L39-V42 PolarHBondContact O-N 2.72Å; V42-S44 VanDerWaalsContact C-N 3.35Å; V42-S44 PolarHBondContact O-N 2.86Å; V42-R45 PolarHBondContact O-N 3.46Å; V42-L46 HydrophobicContact CG1-CD1 3.76Å; V42-L46 HydrophobicContact CG1-CG 4.43Å; V42-L46 VanDerWaalsContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CB 3.12Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.48Å; V42-F334 HydrophobicContact CG1-CE1 4.46Å; V42-F334 HydrophobicContact CG1-CZ 4.21Å; V42-F334 HydrophobicContact CG2-CE1 3.92Å; V42-F334 HydrophobicContact CG2-CZ 4.22Å
43	C	44.9	Very low	40.6	Very low	36 Å²	36	83.7 Å²	83.7	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-60.2	-40.9	176.4	-68.7	0	0	0	0	112.2	L39 N47 I48	L39-C43 WeakPolarHBondContact O-CB 3.22Å; L39-C43 PolarHBondContact O-N 3Å; L39-C43 PolarHBondContact O-SG 3.11Å; C43-N47 CarbonylContact O-C 3.6Å; C43-N47 WeakPolarHBondContact O-CA 3.31Å; C43-N47 PolarHBondContact O-N 3.12Å; C43-I48 PolarHBondContact O-N 2.86Å
44	S	46.9	Very low	41.3	Very low	81 Å²	81	82 Å²	82	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-75.8	-36.2	177.1	57.4	0	0	0	0	113.6	Q40 Y41 V42 N47	Q40-S44 VanDerWaalsContact O-CB 3.25Å; Q40-S44 WeakPolarHBondContact O-CB 3.26Å; Q40-S44 PolarHBondContact O-N 2.97Å; Q40-S44 PolarHBondContact O-OG 3.15Å; Y41-S44 WeakPolarHBondContact CA-OG 3.47Å; Y41-S44 PolarHBondContact O-OG 3Å; V42-S44 VanDerWaalsContact C-N 3.35Å; V42-S44 PolarHBondContact O-N 2.86Å; S44-N47 WeakPolarHBondContact O-CA 3.32Å; S44-N47 PolarHBondContact O-N 3.32Å; S44-N47 VanDerWaalsContact O-N 3.11Å
45	R	44.7	Very low	42.1	Very low	111 Å²	111	77.1 Å²	77.1	42%	0.419	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-42.2	173.5	-82.2	-69.9	-159.5	150.1	3.5	112.7	Y41 V42 F337	Y41-R45 HydrophobicContact CD1-CG 4.15Å; Y41-R45 HydrophobicContact CD2-CG 4.08Å; Y41-R45 HydrophobicContact CE1-CG 3.95Å; Y41-R45 HydrophobicContact CE2-CG 3.88Å; Y41-R45 HydrophobicContact CG-CG 4.22Å; Y41-R45 WeakPolarHBondContact O-CA 3.45Å; Y41-R45 WeakPolarHBondContact O-CB 3.45Å; Y41-R45 WeakPolarHBondContact O-CG 3.37Å; Y41-R45 PolarHBondContact O-N 2.82Å; Y41-R45 PolarHBondContact OH-NE 3.42Å; Y41-R45 VanDerWaalsContact OH-NE 3.1Å; Y41-R45 PolarHBondContact OH-NH2 3.47Å; V42-R45 PolarHBondContact O-N 3.46Å; R45-F337 PolarHBondContact NH1-O 3.35Å
46	L	39.8	Very low	42.7	Very low	47 Å²	47	74.8 Å²	74.8	25%	0.246	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.5	173.7	-60.7	176.7	0	0	0	112.1	V42 I48	V42-L46 HydrophobicContact CG1-CD1 3.76Å; V42-L46 HydrophobicContact CG1-CG 4.43Å; V42-L46 VanDerWaalsContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CB 3.12Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.48Å; L46-I48 HydrophobicContact CB-CD1 3.64Å; L46-I48 HydrophobicContact CB-CG1 3.74Å; L46-I48 HydrophobicContact CD1-CD1 3.86Å; L46-I48 HydrophobicContact CG-CD1 4.42Å; L46-I48 PolarHBondContact O-N 3.39Å
47	N	38.1	Very low	43	Very low	86 Å²	86	75.7 Å²	75.7	46%	0.46	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.2	179.9	-159.2	0.8	0	0	0	112.9	C43 S44 S49 K276	C43-N47 CarbonylContact O-C 3.6Å; C43-N47 WeakPolarHBondContact O-CA 3.31Å; C43-N47 PolarHBondContact O-N 3.12Å; S44-N47 WeakPolarHBondContact O-CA 3.32Å; S44-N47 PolarHBondContact O-N 3.32Å; S44-N47 VanDerWaalsContact O-N 3.11Å; N47-S49 PolarHBondContact O-N 2.56Å; N47-K276 HydrophobicContact CB-CD 4.34Å; N47-K276 PolarHBondContact ND2-NZ 2.81Å; N47-K276 WeakPolarHBondContact O-CD 3.38Å; N47-K276 PolarHBondContact O-NZ 3.44Å
48	I	42.3	Very low	43.1	Very low	34 Å²	34	74 Å²	74	17%	0.174	37%	0.373	C	S	.	.			trans	-91.9	75.4	173.6	-53.1	170.7	0	0	0	107.3	C43 L46	C43-I48 PolarHBondContact O-N 2.86Å; L46-I48 HydrophobicContact CB-CD1 3.64Å; L46-I48 HydrophobicContact CB-CG1 3.74Å; L46-I48 HydrophobicContact CD1-CD1 3.86Å; L46-I48 HydrophobicContact CG-CD1 4.42Å; L46-I48 PolarHBondContact O-N 3.39Å
49	S	45.4	Very low	43.2	Very low	83 Å²	83	75.4 Å²	75.4	58%	0.58	38%	0.378	S	S	*	.			trans	-82.1	-20.3	-178.5	41.7	0	0	0	0	114.1	N47	N47-S49 PolarHBondContact O-N 2.56Å
50	E	39.1	Very low	43.1	Very low	175 Å²	175	77.2 Å²	77.2	82%	0.818	38%	0.381	S	S	*	.	S	Bend	trans	-106.4	-18.4	-160.8	-68.9	166.2	150.5	0	0	114.3
51	D	40.1	Very low	43.1	Very low	48 Å²	48	77.5 Å²	77.5	26%	0.257	39%	0.387	S	S	.	.			trans	-132.1	62.4	-164.3	-98.9	-25	0	0	0	114.2	K53 F54 R280	D51-K53 PolarHBondContact O-N 3.36Å; D51-K53 VanDerWaalsContact O-N 3.14Å; D51-F54 HydrophobicContact CB-CD2 3.65Å; D51-F54 HydrophobicContact CB-CE2 4Å; D51-F54 WeakPolarHBondContact OD1-CE2 3.46Å; D51-R280 IonicContact OD2-CZ 2.95Å; D51-R280 IonicContact OD2-NH1 3.88Å; D51-R280 PolarHBondContact OD2-NH1 3.04Å; D51-R280 IonicContact OD2-NH2 3.09Å; D51-R280 PolarHBondContact OD2-NH2 3.39Å
52	Q	40.6	Very low	43.2	Very low	175 Å²	175	75.5 Å²	75.5	82%	0.818	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.5	-17.5	168.1	-63.7	-179.4	10.1	0	0	112.9	F54	Q52-F54 PolarHBondContact O-N 3.22Å
53	K	44.5	Very low	42.8	Very low	79 Å²	79	78.7 Å²	78.7	34%	0.343	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-72.2	-6.2	-173.3	-56.7	-166.1	-178.5	-165.4	0	115.2	D51 I69 Y90 E93	D51-K53 PolarHBondContact O-N 3.36Å; D51-K53 VanDerWaalsContact O-N 3.14Å; K53-I69 WeakPolarHBondContact O-CD1 3.14Å; K53-Y90 HydrophobicContact CB-CD2 4.35Å; K53-Y90 HydrophobicContact CB-CE2 3.91Å; K53-Y90 HydrophobicContact CD-CD2 4.39Å; K53-Y90 HydrophobicContact CD-CE2 4.03Å; K53-E93 VanDerWaalsContact NZ-CD 3.27Å; K53-E93 IonicContact NZ-OE1 2.7Å; K53-E93 PolarHBondContact NZ-OE1 3.12Å; K53-E93 IonicContact NZ-OE2 2.79Å; K53-E93 PolarHBondContact NZ-OE2 3.31Å
54	F	45.3	Very low	42.6	Very low	28 Å²	28	80.2 Å²	80.2	12%	0.123	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-102.9	-4	-163.7	-77	-97.6	0	0	0	115.5	D51 Q52 P68 I69 Q161 R280	D51-F54 HydrophobicContact CB-CD2 3.65Å; D51-F54 HydrophobicContact CB-CE2 4Å; D51-F54 WeakPolarHBondContact OD1-CE2 3.46Å; Q52-F54 PolarHBondContact O-N 3.22Å; F54-P68 CarbonylContact O-C 3.54Å; F54-P68 VanDerWaalsContact O-CA 3.26Å; F54-P68 WeakPolarHBondContact O-CA 3.42Å; F54-I69 PolarHBondContact O-N 3.32Å; F54-Q161 HydrophobicContact CE1-CG 4.04Å; F54-R280 VanDerWaalsContact CD1-NH2 3.29Å; F54-R280 VanDerWaalsContact CE1-NH2 3.34Å; F54-R280 VanDerWaalsContact CZ-NH2 3.3Å
55	F	46.7	Very low	42.1	Very low	50 Å²	50	77.8 Å²	77.8	22%	0.219	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.3	-179.6	-63.8	-95	0	0	0	111.1	L66 V67 P68 L283	F55-L66 HydrophobicContact CB-CD1 3.76Å; F55-L66 HydrophobicContact CB-CD2 4.3Å; F55-L66 HydrophobicContact CB-CG 3.91Å; F55-L66 HydrophobicContact CD1-CD2 4.2Å; F55-L66 HydrophobicContact CD1-CG 4.15Å; F55-L66 HydrophobicContact CG-CD2 4.34Å; F55-L66 HydrophobicContact CG-CG 4.33Å; F55-V67 CarbonylContact C-O 3.55Å; F55-V67 VanDerWaalsContact CA-O 3.3Å; F55-V67 WeakPolarHBondContact CA-O 3.27Å; F55-P68 HydrophobicContact CD1-CB 4.5Å; F55-P68 HydrophobicContact CD1-CG 4.15Å; F55-P68 HydrophobicContact CE1-CB 4.45Å; F55-P68 HydrophobicContact CE1-CG 3.83Å; F55-L283 HydrophobicContact CZ-CD2 4.47Å
56	I	49.4	Very low	41.9	Very low	20 Å²	20	76.2 Å²	76.2	10%	0.103	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.5	173.3	49.8	173.2	0	0	0	110	V67 I69 I87	I56-V67 PolarHBondContact N-O 3.45Å; I56-V67 PolarHBondContact O-N 3.24Å; I56-I69 HydrophobicContact CG2-CD1 4.43Å; I56-I69 HydrophobicContact CG2-CG1 4.04Å; I56-I87 HydrophobicContact CD1-CD1 4.01Å
57	I	43.5	Very low	42	Very low	84 Å²	84	74.9 Å²	74.9	43%	0.431	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.8	166.9	-58.4	174.2	0	0	0	106.9	K64 L66	I57-K64 HydrophobicContact CG2-CB 4.19Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å
58	T	42.8	Very low	42.5	Very low	32 Å²	32	70.9 Å²	70.9	20%	0.196	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.9	172.3	-168.9	0	0	0	0	109.8	K64 S65 V67	T58-K64 CarbonylContact O-C 3.52Å; T58-K64 WeakPolarHBondContact O-CA 3.46Å; T58-S65 PolarHBondContact N-O 2.84Å; T58-S65 PolarHBondContact O-N 3Å; T58-V67 HydrophobicContact CG2-CB 4.36Å; T58-V67 HydrophobicContact CG2-CG2 3.66Å
59	E	41.9	Very low	43.1	Very low	95 Å²	95	70.2 Å²	70.2	44%	0.444	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.2	168.3	-149.4	161.8	131.7	0	0	108.4	E63 K64	E59-E63 CarbonylContact C-O 3.53Å; E59-E63 WeakPolarHBondContact CA-O 3.31Å; E59-K64 HydrophobicContact CG-CG 4.17Å; E59-K64 WeakPolarHBondContact OE2-CE 3.49Å; E59-K64 IonicContact OE2-NZ 3.31Å; E59-K64 PolarHBondContact OE2-NZ 2.95Å
60	Y	39.7	Very low	43.7	Very low	100 Å²	100	66.9 Å²	66.9	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.6	-180	-173.9	-88.1	0	0	0	108.4	G62 E63	Y60-G62 PolarHBondContact O-N 3.42Å; Y60-G62 VanDerWaalsContact O-N 3.08Å; Y60-E63 PolarHBondContact N-O 3.49Å; Y60-E63 PolarHBondContact O-N 2.95Å
61	N	43.5	Very low	45	Very low	133 Å²	133	59.3 Å²	59.3	71%	0.711	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	28.1	-171.8	-63.3	-0.7	0	0	0	114.5	E63	N61-E63 VanDerWaalsContact C-N 3.33Å
62	G	44.6	Very low	46.2	Very low	57 Å²	57	57.3 Å²	57.3	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-8	-175.8	0	0	0	0	0	115.3	Y60	Y60-G62 PolarHBondContact O-N 3.42Å; Y60-G62 VanDerWaalsContact O-N 3.08Å
63	E	35.6	Very low	47.2	Very low	98 Å²	98	52.8 Å²	52.8	46%	0.458	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.2	173.9	-69.7	-169.4	-161.5	0	0	111.8	E59 Y60 N61 S65 L323	E59-E63 CarbonylContact C-O 3.53Å; E59-E63 WeakPolarHBondContact CA-O 3.31Å; Y60-E63 PolarHBondContact N-O 3.49Å; Y60-E63 PolarHBondContact O-N 2.95Å; N61-E63 VanDerWaalsContact C-N 3.33Å; E63-S65 PolarHBondContact O-N 3.49Å; E63-L323 WeakPolarHBondContact OE2-CD2 3.15Å
64	K	41.1	Very low	48.1	Very low	68 Å²	68	54.9 Å²	54.9	30%	0.296	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	93.8	180	-70.7	-173.9	176	-177.9	0	110.8	K30 V31 I57 T58 E59	K30-K64 PolarHBondContact O-NZ 3.34Å; V31-K64 HydrophobicContact CG1-CD 4.33Å; I57-K64 HydrophobicContact CG2-CB 4.19Å; T58-K64 CarbonylContact O-C 3.52Å; T58-K64 WeakPolarHBondContact O-CA 3.46Å; E59-K64 HydrophobicContact CG-CG 4.17Å; E59-K64 WeakPolarHBondContact OE2-CE 3.49Å; E59-K64 IonicContact OE2-NZ 3.31Å; E59-K64 PolarHBondContact OE2-NZ 2.95Å
65	S	35.3	Very low	49.3	Very low	31 Å²	31	53.8 Å²	53.8	22%	0.217	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.7	179.7	-54.8	0	0	0	0	111.8	T58 E63	T58-S65 PolarHBondContact N-O 2.84Å; T58-S65 PolarHBondContact O-N 3Å; E63-S65 PolarHBondContact O-N 3.49Å
66	L	39.6	Very low	50.3	Low	78 Å²	78	56.4 Å²	56.4	41%	0.408	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.4	163.3	-172.5	78.6	0	0	0	108.4	L39 F55 I57	L39-L66 HydrophobicContact CD1-CD1 4.08Å; L39-L66 HydrophobicContact CD1-CD2 3.65Å; F55-L66 HydrophobicContact CB-CD1 3.76Å; F55-L66 HydrophobicContact CB-CD2 4.3Å; F55-L66 HydrophobicContact CB-CG 3.91Å; F55-L66 HydrophobicContact CD1-CD2 4.2Å; F55-L66 HydrophobicContact CD1-CG 4.15Å; F55-L66 HydrophobicContact CG-CD2 4.34Å; F55-L66 HydrophobicContact CG-CG 4.33Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å
67	V	43	Very low	50.8	Low	18 Å²	18	58.5 Å²	58.5	11%	0.109	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.6	-176.8	-173.3	0	0	0	0	108.2	F55 I56 T58 T287	F55-V67 CarbonylContact C-O 3.55Å; F55-V67 VanDerWaalsContact CA-O 3.3Å; F55-V67 WeakPolarHBondContact CA-O 3.27Å; I56-V67 PolarHBondContact N-O 3.45Å; I56-V67 PolarHBondContact O-N 3.24Å; T58-V67 HydrophobicContact CG2-CB 4.36Å; T58-V67 HydrophobicContact CG2-CG2 3.66Å; V67-T287 HydrophobicContact CG1-CG2 4.14Å
68	P	48.5	Very low	51.8	Low	2 Å²	2	55.3 Å²	55.3	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	158.6	167.1	-25.5	34.1	0	0	0	111.7	F54 F55 F70 Q284 T287	F54-P68 CarbonylContact O-C 3.54Å; F54-P68 VanDerWaalsContact O-CA 3.26Å; F54-P68 WeakPolarHBondContact O-CA 3.42Å; F55-P68 HydrophobicContact CD1-CB 4.5Å; F55-P68 HydrophobicContact CD1-CG 4.15Å; F55-P68 HydrophobicContact CE1-CB 4.45Å; F55-P68 HydrophobicContact CE1-CG 3.83Å; P68-F70 VanDerWaalsContact C-N 3.33Å; P68-F70 PolarHBondContact O-N 3.01Å; P68-Q284 HydrophobicContact CB-CG 4.21Å; P68-Q284 HydrophobicContact CG-CG 4.22Å; P68-T287 HydrophobicContact CG-CG2 4.19Å
69	I	54.9	Low	52.5	Low	20 Å²	20	62.2 Å²	62.2	10%	0.103	32%	0.321	C	S	.	.			trans	-63.7	99.3	168.6	-63.1	-169.9	0	0	0	108.9	K53 F54 I56 Y71 Y90	K53-I69 WeakPolarHBondContact O-CD1 3.14Å; F54-I69 PolarHBondContact O-N 3.32Å; I56-I69 HydrophobicContact CG2-CD1 4.43Å; I56-I69 HydrophobicContact CG2-CG1 4.04Å; I69-Y71 HydrophobicContact CG2-CD1 3.76Å; I69-Y71 HydrophobicContact CG2-CD2 4.3Å; I69-Y71 HydrophobicContact CG2-CE1 3.35Å; I69-Y71 HydrophobicContact CG2-CE2 3.94Å; I69-Y71 HydrophobicContact CG2-CG 4.22Å; I69-Y71 VanDerWaalsContact CG2-CZ 3.46Å; I69-Y90 HydrophobicContact CD1-CD1 4.02Å; I69-Y90 HydrophobicContact CD1-CE1 4.03Å; I69-Y90 HydrophobicContact CD1-CG 4.34Å
70	F	58.1	Low	53.5	Low	13 Å²	13	60.7 Å²	60.7	6%	0.057	32%	0.315	C	S	.	.			trans	-102.2	108.3	165.4	179.6	-106.1	0	0	0	107	P68 I288 V292	P68-F70 VanDerWaalsContact C-N 3.33Å; P68-F70 PolarHBondContact O-N 3.01Å; F70-I288 HydrophobicContact CD2-CG1 4.22Å; F70-I288 HydrophobicContact CD2-CG2 3.82Å; F70-I288 HydrophobicContact CE2-CG2 3.84Å; F70-V292 HydrophobicContact CE1-CG2 4.44Å; F70-V292 HydrophobicContact CE2-CG2 3.77Å; F70-V292 HydrophobicContact CZ-CG2 3.6Å
71	Y	66.5	Low	54.5	Low	16 Å²	16	62.5 Å²	62.5	6%	0.063	32%	0.321	C	S	.	.			trans	-68.6	121.6	-179	-56.8	-78.6	0	0	0	109.2	I69 Y90 L91 L153 L158 T159 R179	I69-Y71 HydrophobicContact CG2-CD1 3.76Å; I69-Y71 HydrophobicContact CG2-CD2 4.3Å; I69-Y71 HydrophobicContact CG2-CE1 3.35Å; I69-Y71 HydrophobicContact CG2-CE2 3.94Å; I69-Y71 HydrophobicContact CG2-CG 4.22Å; I69-Y71 VanDerWaalsContact CG2-CZ 3.46Å; Y71-Y90 HydrophobicContact CE1-CE1 4.3Å; Y71-Y90 WeakPolarHBondContact OH-CE1 3.13Å; Y71-L91 HydrophobicContact CD1-CD2 4.25Å; Y71-L91 HydrophobicContact CE1-CD2 3.79Å; Y71-L153 HydrophobicContact CD1-CD2 4.06Å; Y71-L153 HydrophobicContact CG-CD2 4.43Å; Y71-L158 PolarHBondContact OH-O 3.43Å; Y71-T159 HydrophobicContact CD1-CG2 4.09Å; Y71-T159 HydrophobicContact CD2-CG2 4.29Å; Y71-T159 WeakPolarHBondContact CD2-O 3.41Å; Y71-T159 WeakPolarHBondContact CE2-O 3.33Å; Y71-T159 HydrophobicContact CG-CG2 3.88Å; Y71-R179 WeakPolarHBondContact O-CG 3.33Å
72	P	64.4	Low	55.3	Low	6 Å²	6	58.8 Å²	58.8	4%	0.039	30%	0.304	C	S	.	.			trans	-72.3	156	-174.9	31.5	-37.7	0	0	0	111.7	H74 V77 L78 L153	P72-H74 VanDerWaalsContact C-N 3.25Å; P72-H74 PolarHBondContact O-N 2.58Å; P72-V77 HydrophobicContact CB-CB 3.9Å; P72-V77 HydrophobicContact CB-CG1 4.29Å; P72-V77 HydrophobicContact CB-CG2 4.35Å; P72-L78 HydrophobicContact CG-CD1 3.86Å; P72-L78 HydrophobicContact CG-CD2 4.23Å; P72-L78 HydrophobicContact CG-CG 3.87Å; P72-L153 HydrophobicContact CG-CD1 3.94Å
73	H	61.7	Low	55.9	Low	81 Å²	81	56.3 Å²	56.3	38%	0.375	28%	0.277	S	S	.	.	S	Bend	trans	-63.2	-31.5	176.4	-77.9	-107.8	0	0	0	113.4	R179 D180	H73-R179 PolarHBondContact ND1-NE 3.44Å; H73-R179 PolarHBondContact ND1-NH2 2.94Å; H73-R179 PolarHBondContact O-NH1 3.12Å; H73-D180 IonicContact CE1-OD1 3.5Å; H73-D180 PolarHBondContact CE1-OD1 3.26Å; H73-D180 IonicContact ND1-OD1 2.59Å; H73-D180 IonicContact NE2-OD1 3.74Å
74	H	64.6	Low	57.2	Low	122 Å²	122	52.3 Å²	52.3	57%	0.565	26%	0.259	S	S	*	.	S	Bend	trans	-143.1	150.1	175	-55.3	-74.4	0	0	0	110.3	P72 N76 V77	P72-H74 VanDerWaalsContact C-N 3.25Å; P72-H74 PolarHBondContact O-N 2.58Å; H74-N76 PolarHBondContact O-N 3.4Å; H74-V77 WeakPolarHBondContact O-CG2 3.4Å; H74-V77 PolarHBondContact O-N 2.99Å
75	P	68.9	Low	58.3	Low	5 Å²	5	50 Å²	50	3%	0.032	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54	-26.9	175.5	-27.2	34.6	0	0	0	114.4	V77 L78 K84 T146 L149 S150 L153	P75-V77 PolarHBondContact O-N 3.11Å; P75-L78 WeakPolarHBondContact O-CB 3.45Å; P75-L78 PolarHBondContact O-N 3.11Å; P75-K84 WeakPolarHBondContact O-CE 3.31Å; P75-T146 HydrophobicContact CB-CG2 4.1Å; P75-T146 HydrophobicContact CG-CG2 4.12Å; P75-L149 HydrophobicContact CB-CB 4.38Å; P75-L149 HydrophobicContact CB-CD2 4.06Å; P75-L149 HydrophobicContact CB-CG 4.14Å; P75-L149 HydrophobicContact CG-CB 4.13Å; P75-L149 HydrophobicContact CG-CG 4.07Å; P75-S150 WeakPolarHBondContact CG-OG 3.47Å; P75-L153 HydrophobicContact CG-CD1 4.17Å
76	N	67.9	Low	59.7	Low	105 Å²	105	52.5 Å²	52.5	56%	0.561	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18	-175.5	-61.3	-2.7	0	0	0	113.6	H74 L78 H79	H74-N76 PolarHBondContact O-N 3.4Å; N76-L78 PolarHBondContact O-N 3.28Å; N76-H79 PolarHBondContact O-ND1 3.19Å
77	V	61.6	Low	61.1	Low	65 Å²	65	49 Å²	49	39%	0.394	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-69.7	-20.4	172.6	-175.1	0	0	0	0	111.4	P72 H74 P75 H79	P72-V77 HydrophobicContact CB-CB 3.9Å; P72-V77 HydrophobicContact CB-CG1 4.29Å; P72-V77 HydrophobicContact CB-CG2 4.35Å; H74-V77 WeakPolarHBondContact O-CG2 3.4Å; H74-V77 PolarHBondContact O-N 2.99Å; P75-V77 PolarHBondContact O-N 3.11Å; V77-H79 PolarHBondContact O-N 2.88Å
78	L	62.9	Low	62.4	Low	17 Å²	17	48.2 Å²	48.2	9%	0.089	24%	0.237	C	C	.	.			trans	-89.8	80.5	178.1	-59.6	169.4	0	0	0	110.2	P72 P75 N76 N80 K84 I87 L149	P72-L78 HydrophobicContact CG-CD1 3.86Å; P72-L78 HydrophobicContact CG-CD2 4.23Å; P72-L78 HydrophobicContact CG-CG 3.87Å; P75-L78 WeakPolarHBondContact O-CB 3.45Å; P75-L78 PolarHBondContact O-N 3.11Å; N76-L78 PolarHBondContact O-N 3.28Å; L78-N80 PolarHBondContact O-N 2.89Å; L78-N80 VanDerWaalsContact O-N 3.15Å; L78-K84 HydrophobicContact CB-CG 3.57Å; L78-K84 HydrophobicContact CD1-CG 4.16Å; L78-K84 VanDerWaalsContact O-CE 3.23Å; L78-K84 WeakPolarHBondContact O-CE 3.21Å; L78-K84 WeakPolarHBondContact O-CG 3.28Å; L78-I87 HydrophobicContact CD1-CD1 3.61Å; L78-I87 HydrophobicContact CD2-CD1 3.65Å; L78-I87 HydrophobicContact CG-CD1 4.29Å; L78-L149 HydrophobicContact CD1-CD2 4.13Å
79	H	58	Low	63.4	Low	177 Å²	177	49.6 Å²	49.6	82%	0.819	24%	0.242	S	C	*	.			trans	-62.3	-20.9	-178.3	-54.1	-48.2	0	0	0	114.3	N76 V77	N76-H79 PolarHBondContact O-ND1 3.19Å; V77-H79 PolarHBondContact O-N 2.88Å
80	N	63.5	Low	64.2	Low	62 Å²	62	50.1 Å²	50.1	33%	0.332	24%	0.243	S	C	.	.			trans	-96.6	120.5	179.7	-172.1	-23.6	0	0	0	111.3	L78 T82 S83 K84	L78-N80 PolarHBondContact O-N 2.89Å; L78-N80 VanDerWaalsContact O-N 3.15Å; N80-T82 PolarHBondContact O-N 2.55Å; N80-T82 VanDerWaalsContact OD1-CB 3.26Å; N80-T82 WeakPolarHBondContact OD1-CB 3.43Å; N80-T82 PolarHBondContact OD1-N 2.84Å; N80-T82 PolarHBondContact OD1-OG1 2.81Å; N80-S83 WeakPolarHBondContact O-CA 3.49Å; N80-S83 WeakPolarHBondContact O-CB 3.27Å; N80-S83 PolarHBondContact O-N 3Å; N80-K84 PolarHBondContact O-N 2.77Å
81	R	60.1	Low	65	Low	138 Å²	138	49.5 Å²	49.5	52%	0.521	24%	0.24	S	C	.	.	H	α-helix	trans	-53.4	-36.2	175.9	-171.6	176.8	-176.7	-170.9	-0.8	112.4	L85 L139 N140	R81-L85 WeakPolarHBondContact O-CB 3.27Å; R81-L85 PolarHBondContact O-N 3.08Å; R81-L139 PolarHBondContact NH2-O 3.19Å; R81-N140 PolarHBondContact NH2-OD1 2.88Å
82	T	59.7	Low	65.6	Low	55 Å²	55	48.8 Å²	48.8	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-39.8	175.8	-47.4	0	0	0	0	111.6	N80 L85 L86	N80-T82 PolarHBondContact O-N 2.55Å; N80-T82 VanDerWaalsContact OD1-CB 3.26Å; N80-T82 WeakPolarHBondContact OD1-CB 3.43Å; N80-T82 PolarHBondContact OD1-N 2.84Å; N80-T82 PolarHBondContact OD1-OG1 2.81Å; T82-L85 PolarHBondContact O-N 3.28Å; T82-L86 HydrophobicContact CG2-CD1 4.13Å; T82-L86 WeakPolarHBondContact O-CB 3.43Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.38Å; T82-L86 PolarHBondContact O-N 3.49Å
83	S	58	Low	65.9	Low	5 Å²	5	50.3 Å²	50.3	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-42.4	178	-53.2	0	0	0	0	111.7	N80 L85 I87	N80-S83 WeakPolarHBondContact O-CA 3.49Å; N80-S83 WeakPolarHBondContact O-CB 3.27Å; N80-S83 PolarHBondContact O-N 3Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 2.71Å; S83-I87 WeakPolarHBondContact O-CB 3.47Å; S83-I87 WeakPolarHBondContact O-CD1 3.47Å; S83-I87 WeakPolarHBondContact O-CG1 3.48Å; S83-I87 PolarHBondContact O-N 3.16Å; S83-I87 VanDerWaalsContact O-N 3.1Å
84	K	63.1	Low	66.4	Low	15 Å²	15	47.6 Å²	47.6	7%	0.065	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-47.8	168.7	-70.5	-172.2	179.7	-171.6	0	110.6	P75 L78 N80 I87 A88 E142 F145 L149	P75-K84 WeakPolarHBondContact O-CE 3.31Å; L78-K84 HydrophobicContact CB-CG 3.57Å; L78-K84 HydrophobicContact CD1-CG 4.16Å; L78-K84 VanDerWaalsContact O-CE 3.23Å; L78-K84 WeakPolarHBondContact O-CE 3.21Å; L78-K84 WeakPolarHBondContact O-CG 3.28Å; N80-K84 PolarHBondContact O-N 2.77Å; K84-I87 PolarHBondContact O-N 2.95Å; K84-A88 WeakPolarHBondContact O-CB 3.46Å; K84-A88 PolarHBondContact O-N 3.21Å; K84-E142 IonicContact NZ-OE1 3.62Å; K84-E142 PolarHBondContact NZ-OE1 3.31Å; K84-F145 HydrophobicContact CB-CE1 3.45Å; K84-F145 VanDerWaalsContact CB-CE1 3.45Å; K84-F145 HydrophobicContact CB-CZ 3.73Å; K84-F145 HydrophobicContact CD-CD1 4.3Å; K84-F145 HydrophobicContact CD-CE1 3.89Å; K84-F145 HydrophobicContact CG-CE1 4.28Å; K84-L149 HydrophobicContact CB-CD2 4Å; K84-L149 HydrophobicContact CG-CD2 4.17Å
85	L	64.9	Low	67.3	Low	20 Å²	20	42.5 Å²	42.5	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-44.4	-176.3	-175.5	64.2	0	0	0	113.2	I17 R81 T82 S83 A88 Y89 L139 F145	I17-L85 HydrophobicContact CD1-CD2 4.29Å; R81-L85 WeakPolarHBondContact O-CB 3.27Å; R81-L85 PolarHBondContact O-N 3.08Å; T82-L85 PolarHBondContact O-N 3.28Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 2.71Å; L85-A88 PolarHBondContact O-N 2.87Å; L85-Y89 HydrophobicContact CD1-CD2 3.94Å; L85-Y89 HydrophobicContact CD1-CE1 4.38Å; L85-Y89 HydrophobicContact CD1-CE2 3.46Å; L85-Y89 VanDerWaalsContact CD1-CE2 3.46Å; L85-Y89 HydrophobicContact CD2-CE2 3.93Å; L85-Y89 HydrophobicContact CG-CD2 3.8Å; L85-Y89 HydrophobicContact CG-CE2 3.48Å; L85-Y89 VanDerWaalsContact CG-CE2 3.48Å; L85-Y89 WeakPolarHBondContact O-CB 3.45Å; L85-Y89 WeakPolarHBondContact O-CD2 3.4Å; L85-Y89 PolarHBondContact O-N 3.11Å; L85-L139 HydrophobicContact CD1-CD1 3.73Å; L85-L139 HydrophobicContact CD1-CD2 3.7Å; L85-L139 HydrophobicContact CD1-CG 4.35Å; L85-F145 HydrophobicContact CB-CZ 4.49Å
86	L	63.9	Low	67.7	Low	83 Å²	83	45.5 Å²	45.5	44%	0.435	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-42.1	176.4	-74.3	168.6	0	0	0	111.8	T82 Y90	T82-L86 HydrophobicContact CG2-CD1 4.13Å; T82-L86 WeakPolarHBondContact O-CB 3.43Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.38Å; T82-L86 PolarHBondContact O-N 3.49Å; L86-Y90 WeakPolarHBondContact O-CB 3.09Å; L86-Y90 PolarHBondContact O-N 3.36Å
87	I	68.6	Low	68.1	Low	3 Å²	3	45.8 Å²	45.8	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-44.2	177.8	-69.1	167.3	0	0	0	110.4	I56 L78 S83 K84 Y90 L91 L149	I56-I87 HydrophobicContact CD1-CD1 4.01Å; L78-I87 HydrophobicContact CD1-CD1 3.61Å; L78-I87 HydrophobicContact CD2-CD1 3.65Å; L78-I87 HydrophobicContact CG-CD1 4.29Å; S83-I87 WeakPolarHBondContact O-CB 3.47Å; S83-I87 WeakPolarHBondContact O-CD1 3.47Å; S83-I87 WeakPolarHBondContact O-CG1 3.48Å; S83-I87 PolarHBondContact O-N 3.16Å; S83-I87 VanDerWaalsContact O-N 3.1Å; K84-I87 PolarHBondContact O-N 2.95Å; I87-Y90 PolarHBondContact O-N 2.8Å; I87-L91 HydrophobicContact CG2-CD1 3.55Å; I87-L91 HydrophobicContact CG2-CG 4.21Å; I87-L91 WeakPolarHBondContact O-CB 3.37Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.31Å; I87-L91 PolarHBondContact O-N 2.79Å; I87-L149 HydrophobicContact CG2-CD1 4.02Å
88	A	70.3	Confident	69	Low	2 Å²	2	46.9 Å²	46.9	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-48.4	176	0	0	0	0	0	112.4	K84 L85 Y90 L91 C92 F145 L149	K84-A88 WeakPolarHBondContact O-CB 3.46Å; K84-A88 PolarHBondContact O-N 3.21Å; L85-A88 PolarHBondContact O-N 2.87Å; A88-Y90 PolarHBondContact O-N 2.92Å; A88-L91 PolarHBondContact O-N 3.46Å; A88-C92 WeakPolarHBondContact O-CB 3.49Å; A88-C92 PolarHBondContact O-N 2.84Å; A88-C92 PolarHBondContact O-SG 2.87Å; A88-C92 VanDerWaalsContact O-SG 3.36Å; A88-F145 HydrophobicContact CB-CE2 3.74Å; A88-F145 HydrophobicContact CB-CZ 4.19Å; A88-L149 HydrophobicContact CB-CD1 4.34Å
89	Y	69.9	Low	69.9	Low	31 Å²	31	51 Å²	51	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-41.6	176.7	-76.3	-42	0	0	0	112.7	L85 E93 V114 V118	L85-Y89 HydrophobicContact CD1-CD2 3.94Å; L85-Y89 HydrophobicContact CD1-CE1 4.38Å; L85-Y89 HydrophobicContact CD1-CE2 3.46Å; L85-Y89 VanDerWaalsContact CD1-CE2 3.46Å; L85-Y89 HydrophobicContact CD2-CE2 3.93Å; L85-Y89 HydrophobicContact CG-CD2 3.8Å; L85-Y89 HydrophobicContact CG-CE2 3.48Å; L85-Y89 VanDerWaalsContact CG-CE2 3.48Å; L85-Y89 WeakPolarHBondContact O-CB 3.45Å; L85-Y89 WeakPolarHBondContact O-CD2 3.4Å; L85-Y89 PolarHBondContact O-N 3.11Å; Y89-E93 PolarHBondContact O-N 3.01Å; Y89-V114 HydrophobicContact CD1-CG1 3.52Å; Y89-V114 HydrophobicContact CE1-CG1 3.84Å; Y89-V118 HydrophobicContact CD1-CG2 3.13Å; Y89-V118 HydrophobicContact CE1-CG2 3.57Å; Y89-V118 HydrophobicContact CG-CG2 3.71Å
90	Y	70.6	Confident	71.1	Confident	32 Å²	32	44.1 Å²	44.1	13%	0.125	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-46	176.2	170.1	-97.8	0	0	0	111.9	K53 I69 Y71 L86 I87 A88 C92 E93 Q94	K53-Y90 HydrophobicContact CB-CD2 4.35Å; K53-Y90 HydrophobicContact CB-CE2 3.91Å; K53-Y90 HydrophobicContact CD-CD2 4.39Å; K53-Y90 HydrophobicContact CD-CE2 4.03Å; I69-Y90 HydrophobicContact CD1-CD1 4.02Å; I69-Y90 HydrophobicContact CD1-CE1 4.03Å; I69-Y90 HydrophobicContact CD1-CG 4.34Å; Y71-Y90 HydrophobicContact CE1-CE1 4.3Å; Y71-Y90 WeakPolarHBondContact OH-CE1 3.13Å; L86-Y90 WeakPolarHBondContact O-CB 3.09Å; L86-Y90 PolarHBondContact O-N 3.36Å; I87-Y90 PolarHBondContact O-N 2.8Å; A88-Y90 PolarHBondContact O-N 2.92Å; Y90-C92 VanDerWaalsContact C-N 3.35Å; Y90-C92 PolarHBondContact O-N 3.16Å; Y90-E93 PolarHBondContact O-N 3.22Å; Y90-Q94 HydrophobicContact CD1-CG 4.28Å; Y90-Q94 HydrophobicContact CD2-CG 4.33Å; Y90-Q94 HydrophobicContact CE1-CG 3.75Å; Y90-Q94 HydrophobicContact CE2-CG 3.81Å; Y90-Q94 VanDerWaalsContact CZ-CG 3.5Å; Y90-Q94 WeakPolarHBondContact O-CG 3.22Å; Y90-Q94 PolarHBondContact O-N 3Å
91	L	76.6	Confident	72	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-39.2	177.9	-71.4	168.4	0	0	0	111.6	Y71 I87 A88 Q94 F95 L149 L152 L153 L158	Y71-L91 HydrophobicContact CD1-CD2 4.25Å; Y71-L91 HydrophobicContact CE1-CD2 3.79Å; I87-L91 HydrophobicContact CG2-CD1 3.55Å; I87-L91 HydrophobicContact CG2-CG 4.21Å; I87-L91 WeakPolarHBondContact O-CB 3.37Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.31Å; I87-L91 PolarHBondContact O-N 2.79Å; A88-L91 PolarHBondContact O-N 3.46Å; L91-Q94 PolarHBondContact O-N 3.3Å; L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 PolarHBondContact O-N 3.24Å; L91-L149 HydrophobicContact CD1-CD1 3.87Å; L91-L152 HydrophobicContact CB-CB 3.99Å; L91-L152 HydrophobicContact CB-CD1 4.12Å; L91-L152 HydrophobicContact CB-CD2 4.19Å; L91-L152 HydrophobicContact CB-CG 4.34Å; L91-L152 HydrophobicContact CD1-CB 3.83Å; L91-L152 HydrophobicContact CG-CB 4.45Å; L91-L153 HydrophobicContact CD1-CD2 3.98Å; L91-L153 HydrophobicContact CD1-CG 4.27Å; L91-L158 HydrophobicContact CB-CD1 4.38Å; L91-L158 HydrophobicContact CD2-CB 3.79Å; L91-L158 HydrophobicContact CD2-CD1 4.2Å
92	C	79.1	Confident	73.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-37.4	173.4	-69.7	0	0	0	0	113.2	A88 Y90 F95 H96 I111 V114 L152	A88-C92 WeakPolarHBondContact O-CB 3.49Å; A88-C92 PolarHBondContact O-N 2.84Å; A88-C92 PolarHBondContact O-SG 2.87Å; A88-C92 VanDerWaalsContact O-SG 3.36Å; Y90-C92 VanDerWaalsContact C-N 3.35Å; Y90-C92 PolarHBondContact O-N 3.16Å; C92-F95 PolarHBondContact O-N 2.92Å; C92-H96 PolarHBondContact O-N 3.12Å; C92-H96 PolarHBondContact O-ND1 3.16Å; C92-I111 HydrophobicContact CB-CG2 4.33Å; C92-V114 HydrophobicContact CB-CB 4.41Å; C92-V114 HydrophobicContact CB-CG1 3.84Å; C92-V114 VanDerWaalsContact SG-CG1 3.57Å; C92-L152 VanDerWaalsContact SG-CD1 3.6Å
93	E	69.8	Low	74.1	Confident	39 Å²	39	50.8 Å²	50.8	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-43.9	172.3	-164.7	-166.2	-153.3	0	0	110.4	K53 Y89 Y90 F95 H96 L97 K122	K53-E93 VanDerWaalsContact NZ-CD 3.27Å; K53-E93 IonicContact NZ-OE1 2.7Å; K53-E93 PolarHBondContact NZ-OE1 3.12Å; K53-E93 IonicContact NZ-OE2 2.79Å; K53-E93 PolarHBondContact NZ-OE2 3.31Å; Y89-E93 PolarHBondContact O-N 3.01Å; Y90-E93 PolarHBondContact O-N 3.22Å; E93-F95 PolarHBondContact O-N 3.38Å; E93-H96 PolarHBondContact O-N 3.49Å; E93-L97 HydrophobicContact CG-CD1 4Å; E93-L97 WeakPolarHBondContact O-CB 3.37Å; E93-L97 VanDerWaalsContact O-CG 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.27Å; E93-L97 PolarHBondContact O-N 2.81Å; E93-K122 IonicContact OE1-NZ 3.99Å; E93-K122 PolarHBondContact OE1-NZ 2.73Å
94	Q	73.4	Confident	75.5	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-38	176.5	-70	-54.5	-64.6	0	0	113	Y90 L91 H96 L97 K98 L158	Y90-Q94 HydrophobicContact CD1-CG 4.28Å; Y90-Q94 HydrophobicContact CD2-CG 4.33Å; Y90-Q94 HydrophobicContact CE1-CG 3.75Å; Y90-Q94 HydrophobicContact CE2-CG 3.81Å; Y90-Q94 VanDerWaalsContact CZ-CG 3.5Å; Y90-Q94 WeakPolarHBondContact O-CG 3.22Å; Y90-Q94 PolarHBondContact O-N 3Å; L91-Q94 PolarHBondContact O-N 3.3Å; Q94-H96 PolarHBondContact O-N 2.84Å; Q94-L97 PolarHBondContact O-N 3.03Å; Q94-K98 WeakPolarHBondContact O-CB 3.34Å; Q94-K98 WeakPolarHBondContact O-CG 3.23Å; Q94-K98 PolarHBondContact O-N 3.31Å; Q94-L158 HydrophobicContact CB-CD2 3.65Å
95	F	82.4	Confident	76.5	Confident	14 Å²	14	57.8 Å²	57.8	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-47	178.5	-175.7	-88.8	0	0	0	112	L91 C92 E93 C99 I100 L102 I111 I155 L158	L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 PolarHBondContact O-N 3.24Å; C92-F95 PolarHBondContact O-N 2.92Å; E93-F95 PolarHBondContact O-N 3.38Å; F95-C99 PolarHBondContact O-N 3.42Å; F95-C99 VanDerWaalsContact O-N 3.12Å; F95-I100 HydrophobicContact CD2-CB 3.76Å; F95-I100 HydrophobicContact CD2-CD1 4.32Å; F95-I100 HydrophobicContact CD2-CG2 4.01Å; F95-I100 WeakPolarHBondContact CE1-O 3.34Å; F95-I100 HydrophobicContact CE2-CB 3.65Å; F95-I100 HydrophobicContact CE2-CG2 3.57Å; F95-I100 HydrophobicContact CG-CB 4.37Å; F95-I100 HydrophobicContact CZ-CB 4.17Å; F95-I100 HydrophobicContact CZ-CG2 4.3Å; F95-I100 WeakPolarHBondContact CZ-O 3.31Å; F95-I100 PolarHBondContact O-N 3.15Å; F95-L102 HydrophobicContact CE2-CD1 3.49Å; F95-L102 VanDerWaalsContact CE2-CD1 3.49Å; F95-L102 HydrophobicContact CE2-CG 3.77Å; F95-L102 HydrophobicContact CZ-CD1 3.71Å; F95-L102 HydrophobicContact CZ-CG 3.95Å; F95-I111 HydrophobicContact CB-CG2 4.12Å; F95-I111 HydrophobicContact CD1-CG2 3.48Å; F95-I111 VanDerWaalsContact CD1-CG2 3.48Å; F95-I111 HydrophobicContact CD2-CD1 4.32Å; F95-I111 HydrophobicContact CE1-CG2 3.99Å; F95-I111 HydrophobicContact CE2-CD1 4.2Å; F95-I111 HydrophobicContact CG-CG2 3.81Å; F95-I111 HydrophobicContact CZ-CD1 4.34Å; F95-I155 HydrophobicContact CD2-CD1 4.24Å; F95-I155 HydrophobicContact CE2-CD1 4.19Å; F95-L158 HydrophobicContact CB-CD1 4.44Å; F95-L158 HydrophobicContact CB-CD2 4.2Å; F95-L158 HydrophobicContact CD2-CD1 4.3Å
96	H	78.2	Confident	77.5	Confident	68 Å²	68	61.6 Å²	61.6	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-41.5	177	-69.8	80.6	0	0	0	112	C92 E93 Q94 K98 C99 S115	C92-H96 PolarHBondContact O-N 3.12Å; C92-H96 PolarHBondContact O-ND1 3.16Å; E93-H96 PolarHBondContact O-N 3.49Å; Q94-H96 PolarHBondContact O-N 2.84Å; H96-K98 VanDerWaalsContact C-N 3.3Å; H96-K98 PolarHBondContact O-N 2.8Å; H96-C99 PolarHBondContact O-N 3.43Å; H96-S115 WeakPolarHBondContact CE1-CB 3.48Å; H96-S115 PolarHBondContact CE1-OG 3.12Å; H96-S115 WeakPolarHBondContact ND1-CB 3.34Å; H96-S115 PolarHBondContact ND1-OG 3.42Å; H96-S115 VanDerWaalsContact ND1-OG 3.11Å
97	L	75.6	Confident	78.6	Confident	112 Å²	112	58.2 Å²	58.2	59%	0.586	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-33.2	177.7	-72.6	170.3	0	0	0	113	E93 Q94	E93-L97 HydrophobicContact CG-CD1 4Å; E93-L97 WeakPolarHBondContact O-CB 3.37Å; E93-L97 VanDerWaalsContact O-CG 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.27Å; E93-L97 PolarHBondContact O-N 2.81Å; Q94-L97 PolarHBondContact O-N 3.03Å
98	K	80	Confident	79.4	Confident	87 Å²	87	60.1 Å²	60.1	38%	0.378	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0	178.7	-66.8	178.9	177.1	179.1	0	113.7	Q94 H96 I100 E157	Q94-K98 WeakPolarHBondContact O-CB 3.34Å; Q94-K98 WeakPolarHBondContact O-CG 3.23Å; Q94-K98 PolarHBondContact O-N 3.31Å; H96-K98 VanDerWaalsContact C-N 3.3Å; H96-K98 PolarHBondContact O-N 2.8Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 3.95Å; K98-I100 HydrophobicContact CB-CG1 3.8Å; K98-I100 PolarHBondContact O-N 3.17Å; K98-E157 WeakPolarHBondContact CD-O 3.48Å; K98-E157 PolarHBondContact NZ-O 3.18Å
99	C	82.5	Confident	80.2	Confident	105 Å²	105	62.3 Å²	62.3	71%	0.709	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.3	178.1	-62.1	0	0	0	0	114.1	F95 H96	F95-C99 PolarHBondContact O-N 3.42Å; F95-C99 VanDerWaalsContact O-N 3.12Å; H96-C99 PolarHBondContact O-N 3.43Å
100	I	83.3	Confident	81.1	Confident	32 Å²	32	61.4 Å²	61.4	16%	0.164	33%	0.329	C	S	.	.			trans	-71.3	144.5	-176	-58.3	174.5	0	0	0	110	F95 K98 I155 E157 L158	F95-I100 HydrophobicContact CD2-CB 3.76Å; F95-I100 HydrophobicContact CD2-CD1 4.32Å; F95-I100 HydrophobicContact CD2-CG2 4.01Å; F95-I100 WeakPolarHBondContact CE1-O 3.34Å; F95-I100 HydrophobicContact CE2-CB 3.65Å; F95-I100 HydrophobicContact CE2-CG2 3.57Å; F95-I100 HydrophobicContact CG-CB 4.37Å; F95-I100 HydrophobicContact CZ-CB 4.17Å; F95-I100 HydrophobicContact CZ-CG2 4.3Å; F95-I100 WeakPolarHBondContact CZ-O 3.31Å; F95-I100 PolarHBondContact O-N 3.15Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 3.95Å; K98-I100 HydrophobicContact CB-CG1 3.8Å; K98-I100 PolarHBondContact O-N 3.17Å; I100-I155 HydrophobicContact CD1-CG2 3.99Å; I100-I155 HydrophobicContact CG2-CG2 4.31Å; I100-E157 HydrophobicContact CD1-CB 3.83Å; I100-L158 HydrophobicContact CD1-CD2 3.54Å; I100-L158 HydrophobicContact CD1-CG 3.77Å
101	Q	81.3	Confident	81.8	Confident	181 Å²	181	59.9 Å²	59.9	85%	0.846	32%	0.323	S	S	*	.			trans	-107	148.1	174.5	-60.6	-177.3	10.8	0	0	109.8
102	L	84.2	Confident	82.2	Confident	46 Å²	46	65.4 Å²	65.4	24%	0.241	35%	0.347	C	S	.	.			trans	-132.5	143.9	174.5	-76.9	167.4	0	0	0	109.6	F95 N104 D107 I111 V151 I155	F95-L102 HydrophobicContact CE2-CD1 3.49Å; F95-L102 VanDerWaalsContact CE2-CD1 3.49Å; F95-L102 HydrophobicContact CE2-CG 3.77Å; F95-L102 HydrophobicContact CZ-CD1 3.71Å; F95-L102 HydrophobicContact CZ-CG 3.95Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.81Å; L102-D107 HydrophobicContact CD1-CB 4.24Å; L102-I111 HydrophobicContact CD1-CD1 3.55Å; L102-V151 HydrophobicContact CD1-CG1 3.95Å; L102-V151 HydrophobicContact CD2-CG1 4.23Å; L102-I155 HydrophobicContact CD1-CD1 4.27Å; L102-I155 HydrophobicContact CD2-CD1 4.01Å; L102-I155 HydrophobicContact CD2-CG1 4.4Å; L102-I155 HydrophobicContact CG-CD1 4.46Å
103	D	81	Confident	82.5	Confident	167 Å²	167	66.8 Å²	66.8	89%	0.893	35%	0.354	S	S	*	.	S	Bend	trans	-68.6	-27.4	-179.3	-56.8	-45.9	0	0	0	112.8	P105	D103-P105 WeakPolarHBondContact O-CD 3.18Å
104	N	85.9	Confident	82.9	Confident	65 Å²	65	65 Å²	65	35%	0.348	35%	0.346	S	S	.	.			trans	-89.7	112.8	-178.8	-177	6.2	0	0	0	111.5	L102 Q106 D107 C108	L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.81Å; N104-Q106 PolarHBondContact O-N 3.44Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.37Å; N104-Q106 PolarHBondContact OD1-N 2.93Å; N104-D107 HydrophobicContact CB-CB 4.22Å; N104-D107 WeakPolarHBondContact CB-OD2 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.25Å; N104-D107 PolarHBondContact O-N 2.85Å; N104-C108 PolarHBondContact O-N 3.36Å
105	P	84.6	Confident	83	Confident	102 Å²	102	64 Å²	64	66%	0.662	34%	0.342	S	S	*	.	H	α-helix	trans	-65.8	-23.8	178.7	27.9	-35.4	0	0	0	113.3	D103 A109	D103-P105 WeakPolarHBondContact O-CD 3.18Å; P105-A109 WeakPolarHBondContact O-CB 3.42Å; P105-A109 PolarHBondContact O-N 3.39Å
106	Q	86.6	Confident	82.7	Confident	100 Å²	100	67 Å²	67	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-72.1	-42.9	176.1	-172.6	62.3	48.9	0	0	111.5	N104 C108 A109 D110	N104-Q106 PolarHBondContact O-N 3.44Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.37Å; N104-Q106 PolarHBondContact OD1-N 2.93Å; Q106-C108 VanDerWaalsContact C-N 3.29Å; Q106-C108 PolarHBondContact O-N 3.11Å; Q106-A109 PolarHBondContact O-N 2.88Å; Q106-A109 VanDerWaalsContact O-N 3.13Å; Q106-D110 PolarHBondContact NE2-OD1 2.95Å; Q106-D110 VanDerWaalsContact O-CG 3.22Å; Q106-D110 PolarHBondContact O-N 3.36Å
107	D	87.5	Confident	82.3	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-39.6	175.1	-65.2	-39.8	0	0	0	110.2	L102 N104 A109 D110 I111 R147 V151	L102-D107 HydrophobicContact CD1-CB 4.24Å; N104-D107 HydrophobicContact CB-CB 4.22Å; N104-D107 WeakPolarHBondContact CB-OD2 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.25Å; N104-D107 PolarHBondContact O-N 2.85Å; D107-A109 PolarHBondContact O-N 3.03Å; D107-D110 PolarHBondContact O-N 2.95Å; D107-I111 VanDerWaalsContact O-CB 3.26Å; D107-I111 WeakPolarHBondContact O-CB 3.07Å; D107-I111 WeakPolarHBondContact O-CD1 3.42Å; D107-I111 WeakPolarHBondContact O-CG1 3.49Å; D107-I111 PolarHBondContact O-N 3.03Å; D107-R147 IonicContact OD1-CZ 3.48Å; D107-R147 IonicContact OD1-NH1 2.64Å; D107-R147 PolarHBondContact OD1-NH1 2.88Å; D107-V151 HydrophobicContact CB-CG1 4.33Å
108	C	85.4	Confident	81.8	Confident	43 Å²	43	60.1 Å²	60.1	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-58.2	-43.5	171.2	-67.2	0	0	0	0	113	N104 Q106 K112	N104-C108 PolarHBondContact O-N 3.36Å; Q106-C108 VanDerWaalsContact C-N 3.29Å; Q106-C108 PolarHBondContact O-N 3.11Å; C108-K112 VanDerWaalsContact O-CB 3.23Å; C108-K112 WeakPolarHBondContact O-CB 3.11Å; C108-K112 PolarHBondContact O-N 2.96Å
109	A	87	Confident	81.1	Confident	47 Å²	47	59.5 Å²	59.5	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-44.9	178.9	0	0	0	0	0	111.9	P105 Q106 D107 K112 L113	P105-A109 WeakPolarHBondContact O-CB 3.42Å; P105-A109 PolarHBondContact O-N 3.39Å; Q106-A109 PolarHBondContact O-N 2.88Å; Q106-A109 VanDerWaalsContact O-N 3.13Å; D107-A109 PolarHBondContact O-N 3.03Å; A109-K112 PolarHBondContact O-N 3.31Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 3.48Å
110	D	88	Confident	80.3	Confident	12 Å²	12	55 Å²	55	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.4	-65.1	-13.1	0	0	0	111.2	Q106 D107 K112 L113 V114 L138 R147 L148	Q106-D110 PolarHBondContact NE2-OD1 2.95Å; Q106-D110 VanDerWaalsContact O-CG 3.22Å; Q106-D110 PolarHBondContact O-N 3.36Å; D107-D110 PolarHBondContact O-N 2.95Å; D110-K112 VanDerWaalsContact C-N 3.35Å; D110-K112 PolarHBondContact O-N 3.48Å; D110-L113 PolarHBondContact O-N 2.64Å; D110-V114 VanDerWaalsContact O-CG2 3.22Å; D110-V114 WeakPolarHBondContact O-CG2 3.25Å; D110-V114 PolarHBondContact O-N 3.48Å; D110-L138 HydrophobicContact CB-CD1 4.45Å; D110-L138 HydrophobicContact CB-CD2 4.04Å; D110-R147 IonicContact OD2-CZ 3.84Å; D110-R147 IonicContact OD2-NH1 2.69Å; D110-R147 PolarHBondContact OD2-NH1 3.37Å; D110-R147 IonicContact OD2-NH2 2.77Å; D110-R147 PolarHBondContact OD2-NH2 3.02Å; D110-L148 HydrophobicContact CB-CD1 4.12Å
111	I	85	Confident	79.2	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.6	-69.8	166.6	0	0	0	110.9	C92 F95 L102 D107 S115 L148 L152	C92-I111 HydrophobicContact CB-CG2 4.33Å; F95-I111 HydrophobicContact CB-CG2 4.12Å; F95-I111 HydrophobicContact CD1-CG2 3.48Å; F95-I111 VanDerWaalsContact CD1-CG2 3.48Å; F95-I111 HydrophobicContact CD2-CD1 4.32Å; F95-I111 HydrophobicContact CE1-CG2 3.99Å; F95-I111 HydrophobicContact CE2-CD1 4.2Å; F95-I111 HydrophobicContact CG-CG2 3.81Å; F95-I111 HydrophobicContact CZ-CD1 4.34Å; L102-I111 HydrophobicContact CD1-CD1 3.55Å; D107-I111 VanDerWaalsContact O-CB 3.26Å; D107-I111 WeakPolarHBondContact O-CB 3.07Å; D107-I111 WeakPolarHBondContact O-CD1 3.42Å; D107-I111 WeakPolarHBondContact O-CG1 3.49Å; D107-I111 PolarHBondContact O-N 3.03Å; I111-S115 WeakPolarHBondContact O-CB 3.44Å; I111-S115 PolarHBondContact O-N 3.47Å; I111-L148 HydrophobicContact CD1-CD1 4.3Å; I111-L148 HydrophobicContact CG1-CD1 3.47Å; I111-L148 VanDerWaalsContact CG1-CD1 3.47Å; I111-L152 HydrophobicContact CD1-CD2 3.72Å; I111-L152 HydrophobicContact CD1-CG 4.32Å; I111-L152 HydrophobicContact CG1-CD2 3.98Å; I111-L152 HydrophobicContact CG1-CG 4.4Å
112	K	85.3	Confident	78.3	Confident	117 Å²	117	53.8 Å²	53.8	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-48.5	176.3	-174.6	-174.6	172.5	-164.6	0	111.6	C108 A109 D110 V114 S115 D116	C108-K112 VanDerWaalsContact O-CB 3.23Å; C108-K112 WeakPolarHBondContact O-CB 3.11Å; C108-K112 PolarHBondContact O-N 2.96Å; A109-K112 PolarHBondContact O-N 3.31Å; D110-K112 VanDerWaalsContact C-N 3.35Å; D110-K112 PolarHBondContact O-N 3.48Å; K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 PolarHBondContact O-N 2.93Å; K112-S115 CarbonylContact O-C 3.44Å; K112-S115 WeakPolarHBondContact O-CB 3.41Å; K112-S115 PolarHBondContact O-N 3.42Å; K112-D116 WeakPolarHBondContact CE-OD2 3.46Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact O-N 3.09Å
113	L	85	Confident	77.5	Confident	28 Å²	28	56.1 Å²	56.1	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-54.9	-46.5	177.4	174.1	63.8	0	0	0	111.6	A109 D110 S115 V117 D131 A134 L135 L138	A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 3.48Å; D110-L113 PolarHBondContact O-N 2.64Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-V117 WeakPolarHBondContact O-CB 3.45Å; L113-V117 VanDerWaalsContact O-CG2 3.27Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 2.94Å; L113-D131 HydrophobicContact CD1-CB 3.77Å; L113-A134 HydrophobicContact CD1-CB 4.44Å; L113-A134 HydrophobicContact CD2-CB 3.64Å; L113-L135 HydrophobicContact CD2-CB 4.5Å; L113-L135 HydrophobicContact CG-CB 4.4Å; L113-L138 HydrophobicContact CD2-CD2 4.34Å
114	V	78.8	Confident	77	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-43.1	175	172	0	0	0	0	111.5	Y89 C92 D110 K112 V118 L135 L138 L148	Y89-V114 HydrophobicContact CD1-CG1 3.52Å; Y89-V114 HydrophobicContact CE1-CG1 3.84Å; C92-V114 HydrophobicContact CB-CB 4.41Å; C92-V114 HydrophobicContact CB-CG1 3.84Å; C92-V114 VanDerWaalsContact SG-CG1 3.57Å; D110-V114 VanDerWaalsContact O-CG2 3.22Å; D110-V114 WeakPolarHBondContact O-CG2 3.25Å; D110-V114 PolarHBondContact O-N 3.48Å; K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 PolarHBondContact O-N 2.93Å; V114-V118 WeakPolarHBondContact O-CG2 3Å; V114-V118 PolarHBondContact O-N 3.44Å; V114-V118 VanDerWaalsContact O-N 3.12Å; V114-L135 HydrophobicContact CB-CD1 4.42Å; V114-L135 HydrophobicContact CG2-CD1 3.57Å; V114-L138 HydrophobicContact CG2-CD2 3.81Å; V114-L148 HydrophobicContact CG2-CD2 4.06Å
115	S	76.3	Confident	76.4	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-47	-177.8	-169.3	0	0	0	0	113.4	H96 I111 K112 L113 V117 V118 I119	H96-S115 WeakPolarHBondContact CE1-CB 3.48Å; H96-S115 PolarHBondContact CE1-OG 3.12Å; H96-S115 WeakPolarHBondContact ND1-CB 3.34Å; H96-S115 PolarHBondContact ND1-OG 3.42Å; H96-S115 VanDerWaalsContact ND1-OG 3.11Å; I111-S115 WeakPolarHBondContact O-CB 3.44Å; I111-S115 PolarHBondContact O-N 3.47Å; K112-S115 CarbonylContact O-C 3.44Å; K112-S115 WeakPolarHBondContact O-CB 3.41Å; K112-S115 PolarHBondContact O-N 3.42Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.89Å; S115-V117 PolarHBondContact O-N 3.27Å; S115-V118 WeakPolarHBondContact O-CA 3.32Å; S115-V118 WeakPolarHBondContact O-CB 3.14Å; S115-V118 PolarHBondContact O-N 2.75Å; S115-I119 VanDerWaalsContact O-CG1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.8Å
116	D	75.8	Confident	75.6	Confident	78 Å²	78	60.6 Å²	60.6	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-37.3	178.2	-77.7	-16.6	0	0	0	110.7	K112 I119 A120	K112-D116 WeakPolarHBondContact CE-OD2 3.46Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact O-N 3.09Å; D116-I119 PolarHBondContact O-N 2.96Å; D116-A120 VanDerWaalsContact O-CB 3.26Å; D116-A120 WeakPolarHBondContact O-CB 3.12Å; D116-A120 PolarHBondContact O-N 2.78Å
117	V	69.2	Low	74.8	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-40.7	172	169.7	0	0	0	0	112.7	P20 L113 S115 A120 N121 T127 L135	P20-V117 HydrophobicContact CG-CG1 3.61Å; P20-V117 HydrophobicContact CG-CG2 4.31Å; L113-V117 WeakPolarHBondContact O-CB 3.45Å; L113-V117 VanDerWaalsContact O-CG2 3.27Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 2.94Å; S115-V117 PolarHBondContact O-N 3.27Å; V117-A120 PolarHBondContact O-N 3.37Å; V117-N121 WeakPolarHBondContact CG1-ND2 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.48Å; V117-N121 PolarHBondContact O-N 3.41Å; V117-N121 PolarHBondContact O-ND2 2.75Å; V117-T127 HydrophobicContact CB-CG2 4.33Å; V117-T127 HydrophobicContact CG1-CG2 4.36Å; V117-T127 HydrophobicContact CG2-CG2 3.86Å; V117-L135 HydrophobicContact CB-CD2 3.81Å; V117-L135 HydrophobicContact CG1-CD2 3.51Å; V117-L135 HydrophobicContact CG2-CD2 3.88Å
118	V	66	Low	74.4	Confident	32 Å²	32	59 Å²	59	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-45.2	174.3	167.3	0	0	0	0	110.5	Y89 V114 S115 N121 K122	Y89-V118 HydrophobicContact CD1-CG2 3.13Å; Y89-V118 HydrophobicContact CE1-CG2 3.57Å; Y89-V118 HydrophobicContact CG-CG2 3.71Å; V114-V118 WeakPolarHBondContact O-CG2 3Å; V114-V118 PolarHBondContact O-N 3.44Å; V114-V118 VanDerWaalsContact O-N 3.12Å; S115-V118 WeakPolarHBondContact O-CA 3.32Å; S115-V118 WeakPolarHBondContact O-CB 3.14Å; S115-V118 PolarHBondContact O-N 2.75Å; V118-N121 PolarHBondContact O-N 2.87Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.72Å
119	I	64.8	Low	74.2	Confident	75 Å²	75	63.4 Å²	63.4	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-44	179.2	-67.3	164.9	0	0	0	110.4	S115 D116 K122 N123	S115-I119 VanDerWaalsContact O-CG1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.8Å; D116-I119 PolarHBondContact O-N 2.96Å; I119-K122 PolarHBondContact O-N 3.18Å; I119-N123 VanDerWaalsContact O-CB 3.31Å; I119-N123 WeakPolarHBondContact O-CB 3.26Å; I119-N123 VanDerWaalsContact O-CG 3.29Å; I119-N123 PolarHBondContact O-N 3.46Å; I119-N123 PolarHBondContact O-ND2 2.85Å
120	A	65.8	Low	74	Confident	10 Å²	10	68.7 Å²	68.7	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-49.9	175.2	0	0	0	0	0	111.6	D116 V117 K122 N123 Q124 L125 T127	D116-A120 VanDerWaalsContact O-CB 3.26Å; D116-A120 WeakPolarHBondContact O-CB 3.12Å; D116-A120 PolarHBondContact O-N 2.78Å; V117-A120 PolarHBondContact O-N 3.37Å; A120-K122 PolarHBondContact O-N 3.24Å; A120-N123 CarbonylContact O-C 3.45Å; A120-N123 PolarHBondContact O-N 3.22Å; A120-Q124 PolarHBondContact O-N 2.68Å; A120-L125 HydrophobicContact CB-CB 4.19Å; A120-L125 PolarHBondContact O-N 3.3Å; A120-T127 HydrophobicContact CB-CG2 3.69Å
121	N	59.6	Low	73.7	Confident	53 Å²	53	71.6 Å²	71.6	28%	0.283	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-45.3	177.3	-84.5	-60.7	0	0	0	112.7	R18 V117 V118 N123 Q124	R18-N121 PolarHBondContact O-OD1 3.29Å; V117-N121 WeakPolarHBondContact CG1-ND2 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.48Å; V117-N121 PolarHBondContact O-N 3.41Å; V117-N121 PolarHBondContact O-ND2 2.75Å; V118-N121 PolarHBondContact O-N 2.87Å; N121-N123 PolarHBondContact O-N 2.78Å; N121-Q124 PolarHBondContact O-N 2.81Å; N121-Q124 VanDerWaalsContact O-N 3.11Å
122	K	62.2	Low	73	Confident	134 Å²	134	72 Å²	72	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-58.1	-36.4	177	-173.5	176.3	-175.9	179.9	0	111.8	E93 V118 I119 A120	E93-K122 IonicContact OE1-NZ 3.99Å; E93-K122 PolarHBondContact OE1-NZ 2.73Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.72Å; I119-K122 PolarHBondContact O-N 3.18Å; A120-K122 PolarHBondContact O-N 3.24Å
123	N	68.4	Low	72.9	Confident	96 Å²	96	72.1 Å²	72.1	51%	0.513	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	4.9	179.2	-64.2	-26.7	0	0	0	114.1	I119 A120 N121 L125	I119-N123 VanDerWaalsContact O-CB 3.31Å; I119-N123 WeakPolarHBondContact O-CB 3.26Å; I119-N123 VanDerWaalsContact O-CG 3.29Å; I119-N123 PolarHBondContact O-N 3.46Å; I119-N123 PolarHBondContact O-ND2 2.85Å; A120-N123 CarbonylContact O-C 3.45Å; A120-N123 PolarHBondContact O-N 3.22Å; N121-N123 PolarHBondContact O-N 2.78Å; N123-L125 HydrophobicContact CB-CD1 4.01Å; N123-L125 HydrophobicContact CB-CG 3.89Å; N123-L125 PolarHBondContact O-N 2.91Å
124	Q	69.5	Low	72.9	Confident	178 Å²	178	72.7 Å²	72.7	83%	0.832	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	29	-176.8	-54.2	176.5	33.9	0	0	114.4	A120 N121	A120-Q124 PolarHBondContact O-N 2.68Å; N121-Q124 PolarHBondContact O-N 2.81Å; N121-Q124 VanDerWaalsContact O-N 3.11Å
125	L	73	Confident	73.1	Confident	105 Å²	105	72.7 Å²	72.7	55%	0.55	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-84.5	153.9	174.4	-56.1	175.8	0	0	0	110.5	A120 N123	A120-L125 HydrophobicContact CB-CB 4.19Å; A120-L125 PolarHBondContact O-N 3.3Å; N123-L125 HydrophobicContact CB-CD1 4.01Å; N123-L125 HydrophobicContact CB-CG 3.89Å; N123-L125 PolarHBondContact O-N 2.91Å
126	N	69.3	Low	73.3	Confident	144 Å²	144	75 Å²	75	77%	0.77	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-81.5	132.2	169.2	-64.9	-25.4	0	0	0	109.5
127	T	69.4	Low	73.8	Confident	30 Å²	30	77.9 Å²	77.9	18%	0.184	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-73.5	160.5	164.4	45.9	0	0	0	0	110.3	P20 V117 A120 S132	P20-T127 WeakPolarHBondContact CB-OG1 3.37Å; V117-T127 HydrophobicContact CB-CG2 4.33Å; V117-T127 HydrophobicContact CG1-CG2 4.36Å; V117-T127 HydrophobicContact CG2-CG2 3.86Å; A120-T127 HydrophobicContact CB-CG2 3.69Å; T127-S132 PolarHBondContact OG1-OG 2.91Å
128	S	79.6	Confident	74.6	Confident	49 Å²	49	78 Å²	78	34%	0.343	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71	157.4	170	82.2	0	0	0	0	110.5	E130 D131 S132	S128-E130 PolarHBondContact O-N 2.82Å; S128-E130 PolarHBondContact OG-N 2.88Å; S128-D131 VanDerWaalsContact CB-OD2 3.22Å; S128-D131 WeakPolarHBondContact CB-OD2 3.5Å; S128-D131 PolarHBondContact N-OD2 3.07Å; S128-D131 PolarHBondContact OG-N 3.46Å; S128-D131 PolarHBondContact OG-OD2 2.95Å; S128-S132 VanDerWaalsContact O-CB 3.25Å; S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 2.75Å; S128-S132 PolarHBondContact O-OG 3.2Å
129	E	79.4	Confident	75.2	Confident	137 Å²	137	77.5 Å²	77.5	64%	0.64	39%	0.392	S	S	*	.	H	α-helix	trans	-65.8	-24.8	176.7	-162.3	-176	140.3	0	0	111.9	K133	E129-K133 VanDerWaalsContact O-CG 3.32Å; E129-K133 WeakPolarHBondContact O-CG 3.36Å; E129-K133 PolarHBondContact O-N 3.1Å; E129-K133 VanDerWaalsContact O-N 3.11Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.74Å; E129-K133 PolarHBondContact OE1-NZ 3.47Å
130	E	83.7	Confident	75.8	Confident	157 Å²	157	78.9 Å²	78.9	73%	0.734	40%	0.401	S	S	*	.	H	α-helix	trans	-75	-52.4	178.7	-67.9	167.6	-170.7	0	0	110.7	S128 S132 K133 A134	S128-E130 PolarHBondContact O-N 2.82Å; S128-E130 PolarHBondContact OG-N 2.88Å; E130-S132 PolarHBondContact O-N 2.76Å; E130-K133 PolarHBondContact O-N 3.02Å; E130-K133 VanDerWaalsContact O-N 3.16Å; E130-A134 WeakPolarHBondContact O-CB 3.19Å; E130-A134 PolarHBondContact O-N 3.09Å
131	D	81.3	Confident	76.8	Confident	73 Å²	73	80.3 Å²	80.3	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-55.7	-38	171.4	-53.9	-49.9	0	0	0	111	L113 S128 A134 L135	L113-D131 HydrophobicContact CD1-CB 3.77Å; S128-D131 VanDerWaalsContact CB-OD2 3.22Å; S128-D131 WeakPolarHBondContact CB-OD2 3.5Å; S128-D131 PolarHBondContact N-OD2 3.07Å; S128-D131 PolarHBondContact OG-N 3.46Å; S128-D131 PolarHBondContact OG-OD2 2.95Å; D131-A134 PolarHBondContact O-N 2.85Å; D131-L135 WeakPolarHBondContact O-CB 3.32Å; D131-L135 PolarHBondContact O-N 3.27Å
132	S	71.6	Confident	77.9	Confident	9 Å²	9	83.9 Å²	83.9	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-64.3	-41.7	-179.3	-61	0	0	0	0	112.6	P20 T127 S128 E130 E136	P20-S132 VanDerWaalsContact CB-CA 3.42Å; P20-S132 WeakPolarHBondContact CB-OG 3.34Å; P20-S132 PolarHBondContact O-OG 2.79Å; T127-S132 PolarHBondContact OG1-OG 2.91Å; S128-S132 VanDerWaalsContact O-CB 3.25Å; S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 2.75Å; S128-S132 PolarHBondContact O-OG 3.2Å; E130-S132 PolarHBondContact O-N 2.76Å; S132-E136 WeakPolarHBondContact O-CG 3.15Å; S132-E136 PolarHBondContact O-N 2.8Å; S132-E136 VanDerWaalsContact O-N 3.12Å
133	K	82.6	Confident	79	Confident	120 Å²	120	85.1 Å²	85.1	52%	0.522	43%	0.432	S	S	.	.	H	α-helix	trans	-72.5	-45	176.2	-73.8	165.8	-174.7	163.2	0	111.3	E129 E130 L135 E136 E137	E129-K133 VanDerWaalsContact O-CG 3.32Å; E129-K133 WeakPolarHBondContact O-CG 3.36Å; E129-K133 PolarHBondContact O-N 3.1Å; E129-K133 VanDerWaalsContact O-N 3.11Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.74Å; E129-K133 PolarHBondContact OE1-NZ 3.47Å; E130-K133 PolarHBondContact O-N 3.02Å; E130-K133 VanDerWaalsContact O-N 3.16Å; K133-L135 VanDerWaalsContact C-N 3.31Å; K133-L135 PolarHBondContact O-N 3.12Å; K133-E136 PolarHBondContact O-N 2.92Å; K133-E136 VanDerWaalsContact O-N 3.16Å; K133-E137 WeakPolarHBondContact O-CB 3.23Å; K133-E137 PolarHBondContact O-N 3.03Å
134	A	85.2	Confident	79.8	Confident	40 Å²	40	83.3 Å²	83.3	33%	0.331	42%	0.422	S	S	.	.	H	α-helix	trans	-59.4	-41	178.8	0	0	0	0	0	111.8	L113 E130 D131 E137 L138	L113-A134 HydrophobicContact CD1-CB 4.44Å; L113-A134 HydrophobicContact CD2-CB 3.64Å; E130-A134 WeakPolarHBondContact O-CB 3.19Å; E130-A134 PolarHBondContact O-N 3.09Å; D131-A134 PolarHBondContact O-N 2.85Å; A134-E137 PolarHBondContact O-N 3.44Å; A134-L138 VanDerWaalsContact O-CB 3.27Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 PolarHBondContact O-N 3.13Å
135	L	82.8	Confident	80.5	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-72	-38.9	174.5	-173.4	66.6	0	0	0	112.5	P20 L113 V114 V117 D131 K133 E137 L138 L139	P20-L135 HydrophobicContact CG-CD2 4.03Å; L113-L135 HydrophobicContact CD2-CB 4.5Å; L113-L135 HydrophobicContact CG-CB 4.4Å; V114-L135 HydrophobicContact CB-CD1 4.42Å; V114-L135 HydrophobicContact CG2-CD1 3.57Å; V117-L135 HydrophobicContact CB-CD2 3.81Å; V117-L135 HydrophobicContact CG1-CD2 3.51Å; V117-L135 HydrophobicContact CG2-CD2 3.88Å; D131-L135 WeakPolarHBondContact O-CB 3.32Å; D131-L135 PolarHBondContact O-N 3.27Å; K133-L135 VanDerWaalsContact C-N 3.31Å; K133-L135 PolarHBondContact O-N 3.12Å; L135-E137 VanDerWaalsContact C-N 3.27Å; L135-E137 PolarHBondContact O-N 3.19Å; L135-L138 HydrophobicContact CD1-CD2 4.09Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-L139 HydrophobicContact CD1-CD1 3.87Å; L135-L139 HydrophobicContact CD1-CD2 4.25Å; L135-L139 HydrophobicContact CD1-CG 3.71Å; L135-L139 HydrophobicContact CD2-CD1 4.02Å; L135-L139 HydrophobicContact CG-CD1 3.7Å; L135-L139 HydrophobicContact CG-CG 3.94Å; L135-L139 VanDerWaalsContact O-CB 3.31Å; L135-L139 WeakPolarHBondContact O-CB 3.05Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3Å
136	E	79.5	Confident	81	Confident	50 Å²	50	71.5 Å²	71.5	23%	0.234	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-35.3	174.2	-79	-171.3	-171.8	0	0	111.5	S21 S132 K133 N140	S21-E136 WeakPolarHBondContact CB-OE1 3.28Å; S21-E136 PolarHBondContact OG-OE1 3.24Å; S132-E136 WeakPolarHBondContact O-CG 3.15Å; S132-E136 PolarHBondContact O-N 2.8Å; S132-E136 VanDerWaalsContact O-N 3.12Å; K133-E136 PolarHBondContact O-N 2.92Å; K133-E136 VanDerWaalsContact O-N 3.16Å; E136-N140 WeakPolarHBondContact O-CB 3.43Å; E136-N140 PolarHBondContact O-N 3.35Å; E136-N140 VanDerWaalsContact O-N 3.09Å; E136-N140 PolarHBondContact O-ND2 3.43Å
137	E	86.3	Confident	81.9	Confident	139 Å²	139	68.1 Å²	68.1	65%	0.65	34%	0.343	S	S	*	.	H	α-helix	trans	-66.7	-52.9	172.5	-175.1	169.4	-174.4	0	0	111.8	K133 A134 L135 L139 N140 S141	K133-E137 WeakPolarHBondContact O-CB 3.23Å; K133-E137 PolarHBondContact O-N 3.03Å; A134-E137 PolarHBondContact O-N 3.44Å; L135-E137 VanDerWaalsContact C-N 3.27Å; L135-E137 PolarHBondContact O-N 3.19Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.25Å; E137-N140 PolarHBondContact O-N 3.4Å; E137-N140 VanDerWaalsContact O-N 3.12Å; E137-S141 PolarHBondContact O-N 2.99Å
138	L	85.8	Confident	82.8	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-55.8	-39.4	178.2	-179.8	62.5	0	0	0	112.7	D110 L113 V114 A134 L135 L144 L148	D110-L138 HydrophobicContact CB-CD1 4.45Å; D110-L138 HydrophobicContact CB-CD2 4.04Å; L113-L138 HydrophobicContact CD2-CD2 4.34Å; V114-L138 HydrophobicContact CG2-CD2 3.81Å; A134-L138 VanDerWaalsContact O-CB 3.27Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 PolarHBondContact O-N 3.13Å; L135-L138 HydrophobicContact CD1-CD2 4.09Å; L135-L138 PolarHBondContact O-N 3.44Å; L138-L144 HydrophobicContact CD1-CB 3.83Å; L138-L148 HydrophobicContact CD1-CD2 4.44Å; L138-L148 HydrophobicContact CD2-CD2 4.14Å; L138-L148 HydrophobicContact CG-CD2 4.43Å
139	L	78.7	Confident	83	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-85.5	-15.9	179.8	-66.1	-177.6	0	0	0	114.2	R81 L85 L135 E137 F145	R81-L139 PolarHBondContact NH2-O 3.19Å; L85-L139 HydrophobicContact CD1-CD1 3.73Å; L85-L139 HydrophobicContact CD1-CD2 3.7Å; L85-L139 HydrophobicContact CD1-CG 4.35Å; L135-L139 HydrophobicContact CD1-CD1 3.87Å; L135-L139 HydrophobicContact CD1-CD2 4.25Å; L135-L139 HydrophobicContact CD1-CG 3.71Å; L135-L139 HydrophobicContact CD2-CD1 4.02Å; L135-L139 HydrophobicContact CG-CD1 3.7Å; L135-L139 HydrophobicContact CG-CG 3.94Å; L135-L139 VanDerWaalsContact O-CB 3.31Å; L135-L139 WeakPolarHBondContact O-CB 3.05Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.25Å; L139-F145 HydrophobicContact CD2-CD2 3.78Å; L139-F145 HydrophobicContact CD2-CE2 3.66Å; L139-F145 HydrophobicContact CD2-CZ 4.38Å
140	N	79.2	Confident	83.4	Confident	104 Å²	104	60.3 Å²	60.3	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-92.2	-27.4	174.9	-76.9	-43.6	0	0	0	112.6	R81 E136 E137 E142	R81-N140 PolarHBondContact NH2-OD1 2.88Å; E136-N140 WeakPolarHBondContact O-CB 3.43Å; E136-N140 PolarHBondContact O-N 3.35Å; E136-N140 VanDerWaalsContact O-N 3.09Å; E136-N140 PolarHBondContact O-ND2 3.43Å; E137-N140 PolarHBondContact O-N 3.4Å; E137-N140 VanDerWaalsContact O-N 3.12Å; N140-E142 PolarHBondContact O-N 3.48Å
141	S	85.5	Confident	83.6	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	28%	0.278	S	S	.	.			trans	-76.2	112	171.3	-179.8	0	0	0	0	110.9	E137 E143 L144 F145	E137-S141 PolarHBondContact O-N 2.99Å; S141-E143 PolarHBondContact O-N 3.33Å; S141-L144 WeakPolarHBondContact OG-CG 3.21Å; S141-L144 PolarHBondContact OG-N 3.05Å; S141-F145 WeakPolarHBondContact O-CB 3.5Å; S141-F145 PolarHBondContact O-N 3.5Å
142	E	82.4	Confident	83.8	Confident	129 Å²	129	50.7 Å²	50.7	60%	0.603	26%	0.259	S	S	*	.	H	α-helix	trans	-63.7	-31.5	175.7	179.6	150.2	-130.2	0	0	112.1	K84 N140 T146	K84-E142 IonicContact NZ-OE1 3.62Å; K84-E142 PolarHBondContact NZ-OE1 3.31Å; N140-E142 PolarHBondContact O-N 3.48Å; E142-T146 WeakPolarHBondContact O-CB 3.32Å; E142-T146 PolarHBondContact O-N 3.49Å; E142-T146 PolarHBondContact O-OG1 2.9Å
143	E	85.2	Confident	84.4	Confident	159 Å²	159	50.7 Å²	50.7	74%	0.743	26%	0.258	S	S	*	.	H	α-helix	trans	-65.9	-55.2	177	-175.9	-179.8	-178.4	0	0	111.8	S141 F145 T146 R147	S141-E143 PolarHBondContact O-N 3.33Å; E143-F145 VanDerWaalsContact C-N 3.33Å; E143-F145 PolarHBondContact O-N 3.36Å; E143-T146 PolarHBondContact O-N 3.47Å; E143-R147 PolarHBondContact O-N 3.43Å
144	L	86.6	Confident	84.5	Confident	58 Å²	58	48.7 Å²	48.7	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-41.1	-178.9	-58	175.7	0	0	0	111.2	L138 S141 R147 L148	L138-L144 HydrophobicContact CD1-CB 3.83Å; S141-L144 WeakPolarHBondContact OG-CG 3.21Å; S141-L144 PolarHBondContact OG-N 3.05Å; L144-R147 PolarHBondContact O-N 2.73Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 PolarHBondContact O-N 2.91Å
145	F	84.1	Confident	84.5	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-36	178.1	-172.6	-133.1	0	0	0	112.6	K84 L85 A88 L139 S141 E143 L149	K84-F145 HydrophobicContact CB-CE1 3.45Å; K84-F145 VanDerWaalsContact CB-CE1 3.45Å; K84-F145 HydrophobicContact CB-CZ 3.73Å; K84-F145 HydrophobicContact CD-CD1 4.3Å; K84-F145 HydrophobicContact CD-CE1 3.89Å; K84-F145 HydrophobicContact CG-CE1 4.28Å; L85-F145 HydrophobicContact CB-CZ 4.49Å; A88-F145 HydrophobicContact CB-CE2 3.74Å; A88-F145 HydrophobicContact CB-CZ 4.19Å; L139-F145 HydrophobicContact CD2-CD2 3.78Å; L139-F145 HydrophobicContact CD2-CE2 3.66Å; L139-F145 HydrophobicContact CD2-CZ 4.38Å; S141-F145 WeakPolarHBondContact O-CB 3.5Å; S141-F145 PolarHBondContact O-N 3.5Å; E143-F145 VanDerWaalsContact C-N 3.33Å; E143-F145 PolarHBondContact O-N 3.36Å; F145-L149 VanDerWaalsContact O-CB 3.26Å; F145-L149 WeakPolarHBondContact O-CB 3.49Å; F145-L149 PolarHBondContact O-N 3.46Å
146	T	83.5	Confident	84.4	Confident	27 Å²	27	50.7 Å²	50.7	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-74.3	-34.9	176.2	-61.7	0	0	0	0	111.7	P75 E142 E143 S150	P75-T146 HydrophobicContact CB-CG2 4.1Å; P75-T146 HydrophobicContact CG-CG2 4.12Å; E142-T146 WeakPolarHBondContact O-CB 3.32Å; E142-T146 PolarHBondContact O-N 3.49Å; E142-T146 PolarHBondContact O-OG1 2.9Å; E143-T146 PolarHBondContact O-N 3.47Å; T146-S150 VanDerWaalsContact O-CB 3.27Å; T146-S150 WeakPolarHBondContact O-CB 3.26Å; T146-S150 PolarHBondContact O-N 2.85Å; T146-S150 PolarHBondContact O-OG 2.84Å
147	R	88.3	Confident	84.4	Confident	74 Å²	74	53 Å²	53	28%	0.279	28%	0.279	S	S	.	.	H	α-helix	trans	-57.4	-59.2	167.1	170.3	-179.3	55.6	78.4	0.7	110.2	D107 D110 E143 L144 L149 S150 V151	D107-R147 IonicContact OD1-CZ 3.48Å; D107-R147 IonicContact OD1-NH1 2.64Å; D107-R147 PolarHBondContact OD1-NH1 2.88Å; D110-R147 IonicContact OD2-CZ 3.84Å; D110-R147 IonicContact OD2-NH1 2.69Å; D110-R147 PolarHBondContact OD2-NH1 3.37Å; D110-R147 IonicContact OD2-NH2 2.77Å; D110-R147 PolarHBondContact OD2-NH2 3.02Å; E143-R147 PolarHBondContact O-N 3.43Å; L144-R147 PolarHBondContact O-N 2.73Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.03Å; R147-S150 WeakPolarHBondContact O-CA 3.44Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 2.72Å; R147-V151 PolarHBondContact O-N 2.8Å
148	L	87.3	Confident	84	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-53.9	-48.1	-178.2	173.6	63.3	0	0	0	111.8	D110 I111 V114 L138 L144 S150 V151 L152	D110-L148 HydrophobicContact CB-CD1 4.12Å; I111-L148 HydrophobicContact CD1-CD1 4.3Å; I111-L148 HydrophobicContact CG1-CD1 3.47Å; I111-L148 VanDerWaalsContact CG1-CD1 3.47Å; V114-L148 HydrophobicContact CG2-CD2 4.06Å; L138-L148 HydrophobicContact CD1-CD2 4.44Å; L138-L148 HydrophobicContact CD2-CD2 4.14Å; L138-L148 HydrophobicContact CG-CD2 4.43Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 PolarHBondContact O-N 2.91Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.32Å; L148-V151 PolarHBondContact O-N 3.22Å; L148-L152 HydrophobicContact CD1-CD1 3.94Å; L148-L152 HydrophobicContact CD1-CG 4.33Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CG 3.32Å; L148-L152 PolarHBondContact O-N 2.92Å
149	L	84.7	Confident	83.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.1	-27.2	179.5	-172.5	51.8	0	0	0	112.5	P75 L78 K84 I87 A88 L91 F145 R147 L153	P75-L149 HydrophobicContact CB-CB 4.38Å; P75-L149 HydrophobicContact CB-CD2 4.06Å; P75-L149 HydrophobicContact CB-CG 4.14Å; P75-L149 HydrophobicContact CG-CB 4.13Å; P75-L149 HydrophobicContact CG-CG 4.07Å; L78-L149 HydrophobicContact CD1-CD2 4.13Å; K84-L149 HydrophobicContact CB-CD2 4Å; K84-L149 HydrophobicContact CG-CD2 4.17Å; I87-L149 HydrophobicContact CG2-CD1 4.02Å; A88-L149 HydrophobicContact CB-CD1 4.34Å; L91-L149 HydrophobicContact CD1-CD1 3.87Å; F145-L149 VanDerWaalsContact O-CB 3.26Å; F145-L149 WeakPolarHBondContact O-CB 3.49Å; F145-L149 PolarHBondContact O-N 3.46Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.03Å; L149-L153 HydrophobicContact CD1-CD1 4.04Å; L149-L153 HydrophobicContact CD1-CG 4.05Å; L149-L153 HydrophobicContact CG-CD1 3.95Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 VanDerWaalsContact O-CB 3.23Å; L149-L153 WeakPolarHBondContact O-CB 3.28Å; L149-L153 WeakPolarHBondContact O-CD1 2.76Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.36Å
150	S	86.7	Confident	83.6	Confident	51 Å²	51	45.8 Å²	45.8	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-41.4	171.3	-60.2	0	0	0	0	112.1	P75 T146 R147 L148 L153 S154	P75-S150 WeakPolarHBondContact CG-OG 3.47Å; T146-S150 VanDerWaalsContact O-CB 3.27Å; T146-S150 WeakPolarHBondContact O-CB 3.26Å; T146-S150 PolarHBondContact O-N 2.85Å; T146-S150 PolarHBondContact O-OG 2.84Å; R147-S150 WeakPolarHBondContact O-CA 3.44Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 2.72Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.32Å; S150-L153 PolarHBondContact O-N 2.74Å; S150-S154 PolarHBondContact O-N 3.33Å
151	V	88	Confident	83.4	Confident	28 Å²	28	42.2 Å²	42.2	17%	0.17	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-46.3	175	174.5	0	0	0	0	110.5	L102 D107 R147 L148 L153 S154 I155	L102-V151 HydrophobicContact CD1-CG1 3.95Å; L102-V151 HydrophobicContact CD2-CG1 4.23Å; D107-V151 HydrophobicContact CB-CG1 4.33Å; R147-V151 PolarHBondContact O-N 2.8Å; L148-V151 PolarHBondContact O-N 3.22Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 2.7Å; V151-S154 PolarHBondContact O-N 2.87Å; V151-S154 PolarHBondContact O-OG 3.43Å; V151-I155 WeakPolarHBondContact O-CD1 3.13Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å
152	L	86.1	Confident	83.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-27.5	177	-69.9	168.1	0	0	0	113.5	L91 C92 I111 L148 L158	L91-L152 HydrophobicContact CB-CB 3.99Å; L91-L152 HydrophobicContact CB-CD1 4.12Å; L91-L152 HydrophobicContact CB-CD2 4.19Å; L91-L152 HydrophobicContact CB-CG 4.34Å; L91-L152 HydrophobicContact CD1-CB 3.83Å; L91-L152 HydrophobicContact CG-CB 4.45Å; C92-L152 VanDerWaalsContact SG-CD1 3.6Å; I111-L152 HydrophobicContact CD1-CD2 3.72Å; I111-L152 HydrophobicContact CD1-CG 4.32Å; I111-L152 HydrophobicContact CG1-CD2 3.98Å; I111-L152 HydrophobicContact CG1-CG 4.4Å; L148-L152 HydrophobicContact CD1-CD1 3.94Å; L148-L152 HydrophobicContact CD1-CG 4.33Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CG 3.32Å; L148-L152 PolarHBondContact O-N 2.92Å; L152-L158 HydrophobicContact CB-CD1 4.39Å; L152-L158 HydrophobicContact CD2-CD1 3.68Å; L152-L158 WeakPolarHBondContact O-CD1 3.19Å
153	L	84.2	Confident	83.2	Confident	8 Å²	8	40 Å²	40	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-88.3	-10	176.1	-71.6	171.3	0	0	0	114.2	Y71 P72 P75 L91 L149 S150 V151 T159	Y71-L153 HydrophobicContact CD1-CD2 4.06Å; Y71-L153 HydrophobicContact CG-CD2 4.43Å; P72-L153 HydrophobicContact CG-CD1 3.94Å; P75-L153 HydrophobicContact CG-CD1 4.17Å; L91-L153 HydrophobicContact CD1-CD2 3.98Å; L91-L153 HydrophobicContact CD1-CG 4.27Å; L149-L153 HydrophobicContact CD1-CD1 4.04Å; L149-L153 HydrophobicContact CD1-CG 4.05Å; L149-L153 HydrophobicContact CG-CD1 3.95Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 VanDerWaalsContact O-CB 3.23Å; L149-L153 WeakPolarHBondContact O-CB 3.28Å; L149-L153 WeakPolarHBondContact O-CD1 2.76Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.36Å; S150-L153 PolarHBondContact O-N 2.74Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 2.7Å; L153-T159 HydrophobicContact CD2-CG2 4.28Å
154	S	85.1	Confident	83.2	Confident	78 Å²	78	38.5 Å²	38.5	55%	0.545	20%	0.2	S	C	.	.	H	α-helix	trans	-88.5	-16.4	175.9	68.5	0	0	0	0	113.4	S150 V151 P156	S150-S154 PolarHBondContact O-N 3.33Å; V151-S154 PolarHBondContact O-N 2.87Å; V151-S154 PolarHBondContact O-OG 3.43Å; S154-P156 VanDerWaalsContact O-CD 3.3Å; S154-P156 WeakPolarHBondContact O-CD 3.37Å
155	I	84.9	Confident	83.3	Confident	11 Å²	11	35.8 Å²	35.8	6%	0.056	19%	0.187	C	C	.	.			trans	-80.3	113.5	-177.7	-60.9	162	0	0	0	110.2	F95 I100 L102 V151 E157 L158 T159	F95-I155 HydrophobicContact CD2-CD1 4.24Å; F95-I155 HydrophobicContact CE2-CD1 4.19Å; I100-I155 HydrophobicContact CD1-CG2 3.99Å; I100-I155 HydrophobicContact CG2-CG2 4.31Å; L102-I155 HydrophobicContact CD1-CD1 4.27Å; L102-I155 HydrophobicContact CD2-CD1 4.01Å; L102-I155 HydrophobicContact CD2-CG1 4.4Å; L102-I155 HydrophobicContact CG-CD1 4.46Å; V151-I155 WeakPolarHBondContact O-CD1 3.13Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 HydrophobicContact CG2-CB 4.17Å; I155-E157 WeakPolarHBondContact CG2-OE2 3.32Å; I155-E157 PolarHBondContact O-N 3.02Å; I155-L158 HydrophobicContact CB-CB 4.28Å; I155-L158 HydrophobicContact CB-CD1 4.15Å; I155-L158 HydrophobicContact CB-CG 4.07Å; I155-L158 HydrophobicContact CD1-CD1 3.83Å; I155-L158 HydrophobicContact CD1-CG 4.47Å; I155-L158 HydrophobicContact CG2-CB 4.27Å; I155-L158 HydrophobicContact CG2-CD1 4.35Å; I155-L158 HydrophobicContact CG2-CG 3.84Å; I155-L158 PolarHBondContact O-N 2.94Å; I155-T159 PolarHBondContact O-N 3.05Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.38Å
156	P	80.2	Confident	83.5	Confident	73 Å²	73	40.1 Å²	40.1	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-63	-33.4	-179.2	-23.6	35.9	0	0	0	113.2	S154 L158 T159 T160	S154-P156 VanDerWaalsContact O-CD 3.3Å; S154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-L158 PolarHBondContact O-N 2.91Å; P156-T159 PolarHBondContact O-N 3.41Å; P156-T160 WeakPolarHBondContact O-CB 3.2Å; P156-T160 PolarHBondContact O-N 3.37Å; P156-T160 PolarHBondContact O-OG1 3.35Å
157	E	79.4	Confident	83.7	Confident	98 Å²	98	39 Å²	39	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-66.8	-25.9	179.8	-61.9	73.4	-162.7	0	0	112.1	K98 I100 I155	K98-E157 WeakPolarHBondContact CD-O 3.48Å; K98-E157 PolarHBondContact NZ-O 3.18Å; I100-E157 HydrophobicContact CD1-CB 3.83Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 HydrophobicContact CG2-CB 4.17Å; I155-E157 WeakPolarHBondContact CG2-OE2 3.32Å; I155-E157 PolarHBondContact O-N 3.02Å
158	L	78.6	Confident	83.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-84.3	-43.6	172.8	-67.7	-173.4	0	0	0	112.1	Y71 L91 Q94 F95 I100 L152 I155 P156	Y71-L158 PolarHBondContact OH-O 3.43Å; L91-L158 HydrophobicContact CB-CD1 4.38Å; L91-L158 HydrophobicContact CD2-CB 3.79Å; L91-L158 HydrophobicContact CD2-CD1 4.2Å; Q94-L158 HydrophobicContact CB-CD2 3.65Å; F95-L158 HydrophobicContact CB-CD1 4.44Å; F95-L158 HydrophobicContact CB-CD2 4.2Å; F95-L158 HydrophobicContact CD2-CD1 4.3Å; I100-L158 HydrophobicContact CD1-CD2 3.54Å; I100-L158 HydrophobicContact CD1-CG 3.77Å; L152-L158 HydrophobicContact CB-CD1 4.39Å; L152-L158 HydrophobicContact CD2-CD1 3.68Å; L152-L158 WeakPolarHBondContact O-CD1 3.19Å; I155-L158 HydrophobicContact CB-CB 4.28Å; I155-L158 HydrophobicContact CB-CD1 4.15Å; I155-L158 HydrophobicContact CB-CG 4.07Å; I155-L158 HydrophobicContact CD1-CD1 3.83Å; I155-L158 HydrophobicContact CD1-CG 4.47Å; I155-L158 HydrophobicContact CG2-CB 4.27Å; I155-L158 HydrophobicContact CG2-CD1 4.35Å; I155-L158 HydrophobicContact CG2-CG 3.84Å; I155-L158 PolarHBondContact O-N 2.94Å; P156-L158 PolarHBondContact O-N 2.91Å
159	T	76.8	Confident	83	Confident	10 Å²	10	48 Å²	48	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-87.2	-8	-171.7	54.7	0	0	0	0	114.3	Y71 L153 I155 P156	Y71-T159 HydrophobicContact CD1-CG2 4.09Å; Y71-T159 HydrophobicContact CD2-CG2 4.29Å; Y71-T159 WeakPolarHBondContact CD2-O 3.41Å; Y71-T159 WeakPolarHBondContact CE2-O 3.33Å; Y71-T159 HydrophobicContact CG-CG2 3.88Å; L153-T159 HydrophobicContact CD2-CG2 4.28Å; I155-T159 PolarHBondContact O-N 3.05Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.38Å; P156-T159 PolarHBondContact O-N 3.41Å
160	T	79.2	Confident	82.9	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.031	26%	0.261	C	S	.	.			trans	-97.6	117.7	173.5	-50.4	0	0	0	0	111.4	P156 W162 I177 N178	P156-T160 WeakPolarHBondContact O-CB 3.2Å; P156-T160 PolarHBondContact O-N 3.37Å; P156-T160 PolarHBondContact O-OG1 3.35Å; T160-W162 HydrophobicContact CG2-CD2 3.99Å; T160-W162 HydrophobicContact CG2-CG 4.31Å; T160-W162 HydrophobicContact CG2-CZ2 3.96Å; T160-I177 CarbonylContact C-O 3.5Å; T160-I177 WeakPolarHBondContact CA-O 3.34Å; T160-N178 HydrophobicContact CG2-CB 4.14Å; T160-N178 WeakPolarHBondContact OG1-CB 3.5Å
161	Q	73.7	Confident	82.7	Confident	29 Å²	29	50.8 Å²	50.8	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.9	165.1	177.2	-173.7	-32.6	0	0	109.2	F54 V163 I177	F54-Q161 HydrophobicContact CE1-CG 4.04Å; Q161-V163 HydrophobicContact CG-CG2 4.19Å; Q161-I177 HydrophobicContact CB-CB 4.43Å; Q161-I177 PolarHBondContact N-O 3.35Å; Q161-I177 PolarHBondContact O-N 3.29Å
162	W	81.3	Confident	82.6	Confident	104 Å²	104	52.3 Å²	52.3	39%	0.394	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.7	171.7	-66.1	105.4	0	0	0	111.7	T160 Q174 I175 G176 I183 H185	T160-W162 HydrophobicContact CG2-CD2 3.99Å; T160-W162 HydrophobicContact CG2-CG 4.31Å; T160-W162 HydrophobicContact CG2-CZ2 3.96Å; W162-Q174 HydrophobicContact CE3-CB 3.77Å; W162-Q174 HydrophobicContact CZ3-CB 4.09Å; W162-I175 CarbonylContact C-O 3.59Å; W162-I175 WeakPolarHBondContact CA-O 3.36Å; W162-G176 VanDerWaalsContact CE3-CA 3.4Å; W162-G176 VanDerWaalsContact CE3-N 3.34Å; W162-I183 HydrophobicContact CH2-CB 4.32Å; W162-I183 HydrophobicContact CH2-CD1 4.45Å; W162-I183 HydrophobicContact CH2-CG2 3.81Å; W162-I183 HydrophobicContact CZ3-CB 4.47Å; W162-I183 HydrophobicContact CZ3-CG2 4.1Å; W162-H185 HydrophobicContact CH2-CB 4.35Å; W162-H185 HydrophobicContact CZ3-CB 4.09Å
163	V	82.3	Confident	82.7	Confident	18 Å²	18	52.8 Å²	52.8	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.4	176.1	-177.9	0	0	0	0	109.3	Q161 I175 L272 L281	Q161-V163 HydrophobicContact CG-CG2 4.19Å; V163-I175 PolarHBondContact N-O 2.93Å; V163-I175 PolarHBondContact O-N 3.14Å; V163-L272 HydrophobicContact CG1-CD2 3.85Å; V163-L281 HydrophobicContact CG1-CD2 4.31Å; V163-L281 HydrophobicContact CG2-CD1 4.36Å
164	H	85.5	Confident	82.8	Confident	126 Å²	126	54.1 Å²	54.1	58%	0.583	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.9	174.9	-64	90	0	0	0	111.5	Y173 Q174 E187	H164-Y173 WeakPolarHBondContact CA-O 3.36Å; H164-Q174 PolarHBondContact NE2-NE2 3.21Å; H164-E187 IonicContact CD2-OE2 3.38Å; H164-E187 PolarHBondContact CD2-OE2 2.65Å; H164-E187 IonicContact NE2-OE1 2.76Å; H164-E187 IonicContact NE2-OE2 3.28Å; H164-E187 PolarHBondContact NE2-OE2 2.95Å
165	V	88.8	Confident	82.8	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.4	176.3	-54.2	0	0	0	0	110.5	Y173 I175 F228 F270 L272	V165-Y173 PolarHBondContact N-O 2.89Å; V165-Y173 PolarHBondContact O-N 3.22Å; V165-Y173 VanDerWaalsContact O-O 3.09Å; V165-I175 HydrophobicContact CB-CD1 4.39Å; V165-I175 HydrophobicContact CG1-CD1 3.62Å; V165-I175 HydrophobicContact CG1-CG1 3.92Å; V165-I175 HydrophobicContact CG2-CD1 3.93Å; V165-I175 HydrophobicContact CG2-CG1 3.8Å; V165-F228 HydrophobicContact CG2-CE1 4.1Å; V165-F228 HydrophobicContact CG2-CZ 4.32Å; V165-F270 HydrophobicContact CB-CB 4.1Å; V165-F270 HydrophobicContact CG1-CB 4.12Å; V165-F270 HydrophobicContact CG2-CB 4.42Å; V165-F270 HydrophobicContact CG2-CD1 4.19Å; V165-L272 HydrophobicContact CG1-CD1 4.24Å; V165-L272 HydrophobicContact CG1-CG 4.12Å
166	K	88.9	Confident	82.7	Confident	99 Å²	99	49.9 Å²	49.9	43%	0.43	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.9	167.9	-62	-172.5	174.9	-165.9	0	111	Q171 L172 R271	K166-Q171 WeakPolarHBondContact CA-O 3.26Å; K166-Q171 WeakPolarHBondContact CB-O 3.03Å; K166-L172 HydrophobicContact CG-CD1 4Å; K166-R271 HydrophobicContact CB-CB 4.39Å; K166-R271 PolarHBondContact N-O 3.45Å; K166-R271 PolarHBondContact O-N 2.79Å
167	D	86.8	Confident	82.8	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	23%	0.225	C	C	.	.			trans	-75.3	-166.4	171.2	76.2	-20.8	0	0	0	111.2	K169 G170 Q171 Y173 D227 F228	D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 VanDerWaalsContact CG-N 3.32Å; D167-K169 WeakPolarHBondContact OD1-CA 3.35Å; D167-K169 PolarHBondContact OD1-N 3.42Å; D167-K169 WeakPolarHBondContact OD2-CB 3.41Å; D167-K169 PolarHBondContact OD2-N 3.39Å; D167-G170 WeakPolarHBondContact OD1-CA 3.42Å; D167-G170 PolarHBondContact OD1-N 3.28Å; D167-Q171 PolarHBondContact N-O 3.32Å; D167-Q171 PolarHBondContact OD1-N 3.11Å; D167-Q171 PolarHBondContact OD2-NE2 2.93Å; D167-Y173 HydrophobicContact CB-CD2 4.29Å; D167-Y173 HydrophobicContact CB-CE2 3.86Å; D167-D227 HydrophobicContact CB-CB 4.06Å; D167-F228 HydrophobicContact CB-CD1 4.15Å; D167-F228 HydrophobicContact CB-CE1 4.02Å
168	Q	79	Confident	82.7	Confident	112 Å²	112	43 Å²	43	52%	0.523	21%	0.208	S	C	.	.	S	Bend	trans	-73.1	-22.1	174.9	-60.3	-173.8	44.6	0	0	113.6	D227 I229	Q168-D227 PolarHBondContact N-O 3.1Å; Q168-I229 PolarHBondContact NE2-O 2.9Å
169	K	82	Confident	82.3	Confident	150 Å²	150	45.5 Å²	45.5	65%	0.652	22%	0.217	S	C	*	.	S	Bend	trans	-90.6	-17.7	-176.9	-57.6	167.9	175.2	171.8	0	113.5	D167 D227	D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 VanDerWaalsContact CG-N 3.32Å; D167-K169 WeakPolarHBondContact OD1-CA 3.35Å; D167-K169 PolarHBondContact OD1-N 3.42Å; D167-K169 WeakPolarHBondContact OD2-CB 3.41Å; D167-K169 PolarHBondContact OD2-N 3.39Å; K169-D227 WeakPolarHBondContact CE-OD1 3.48Å; K169-D227 IonicContact NZ-OD1 3.18Å; K169-D227 PolarHBondContact NZ-OD1 2.92Å; K169-D227 IonicContact NZ-OD2 2.72Å; K169-D227 PolarHBondContact NZ-OD2 3.01Å
170	G	83.1	Confident	82.1	Confident	41 Å²	41	48.7 Å²	48.7	42%	0.423	23%	0.234	S	C	.	.	S	Bend	trans	100.5	2.6	-174.8	0	0	0	0	0	115.5	D167	D167-G170 WeakPolarHBondContact OD1-CA 3.42Å; D167-G170 PolarHBondContact OD1-N 3.28Å
171	Q	83	Confident	82.1	Confident	70 Å²	70	48.5 Å²	48.5	33%	0.327	23%	0.233	S	C	.	.			trans	-63.2	151.2	171.8	-62.4	-179.5	103.3	0	0	110.6	K166 D167 Y173 D227	K166-Q171 WeakPolarHBondContact CA-O 3.26Å; K166-Q171 WeakPolarHBondContact CB-O 3.03Å; D167-Q171 PolarHBondContact N-O 3.32Å; D167-Q171 PolarHBondContact OD1-N 3.11Å; D167-Q171 PolarHBondContact OD2-NE2 2.93Å; Q171-Y173 HydrophobicContact CB-CD2 4.37Å; Q171-Y173 HydrophobicContact CB-CE2 3.78Å; Q171-D227 PolarHBondContact NE2-OD2 2.89Å
172	L	85.8	Confident	82.7	Confident	59 Å²	59	47.1 Å²	47.1	31%	0.309	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134	-174.5	-166.4	66.5	0	0	0	111.5	K166 E187	K166-L172 HydrophobicContact CG-CD1 4Å; L172-E187 HydrophobicContact CB-CB 4.46Å; L172-E187 WeakPolarHBondContact CD2-OE1 3.38Å; L172-E187 HydrophobicContact CG-CB 4.43Å; L172-E187 WeakPolarHBondContact O-CB 3.18Å; L172-E187 PolarHBondContact O-N 3.19Å
173	Y	87.1	Confident	82.9	Confident	11 Å²	11	43.5 Å²	43.5	4%	0.043	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.1	-179.4	-69.2	-105.3	0	0	0	110.1	H164 V165 D167 Q171 I184 H185 Q186 D227 F228	H164-Y173 WeakPolarHBondContact CA-O 3.36Å; V165-Y173 PolarHBondContact N-O 2.89Å; V165-Y173 PolarHBondContact O-N 3.22Å; V165-Y173 VanDerWaalsContact O-O 3.09Å; D167-Y173 HydrophobicContact CB-CD2 4.29Å; D167-Y173 HydrophobicContact CB-CE2 3.86Å; Q171-Y173 HydrophobicContact CB-CD2 4.37Å; Q171-Y173 HydrophobicContact CB-CE2 3.78Å; Y173-I184 HydrophobicContact CD1-CG2 4.47Å; Y173-H185 CarbonylContact C-O 3.46Å; Y173-H185 WeakPolarHBondContact CA-O 3.4Å; Y173-H185 WeakPolarHBondContact CB-O 3.4Å; Y173-Q186 VanDerWaalsContact CD1-CA 3.41Å; Y173-Q186 HydrophobicContact CD1-CB 3.69Å; Y173-Q186 HydrophobicContact CD1-CG 3.97Å; Y173-Q186 HydrophobicContact CE1-CB 3.52Å; Y173-Q186 HydrophobicContact CE1-CG 3.61Å; Y173-D227 PolarHBondContact OH-OD2 2.8Å; Y173-F228 AromaticContact CD1-CE2 3.65Å; Y173-F228 HydrophobicContact CD1-CE2 3.65Å; Y173-F228 AromaticContact CD1-CZ 3.58Å; Y173-F228 HydrophobicContact CD1-CZ 3.58Å; Y173-F228 HydrophobicContact CD2-CE1 4.19Å; Y173-F228 HydrophobicContact CD2-CE2 4.23Å; Y173-F228 AromaticContact CD2-CZ 3.54Å; Y173-F228 HydrophobicContact CD2-CZ 3.54Å; Y173-F228 AromaticContact CE1-CE2 3.72Å; Y173-F228 HydrophobicContact CE1-CE2 3.72Å; Y173-F228 HydrophobicContact CE1-CZ 4.01Å; Y173-F228 HydrophobicContact CE2-CE2 4.27Å; Y173-F228 AromaticContact CE2-CZ 3.95Å; Y173-F228 HydrophobicContact CE2-CZ 3.95Å; Y173-F228 HydrophobicContact CG-CE1 4.35Å; Y173-F228 AromaticContact CG-CE2 3.95Å; Y173-F228 HydrophobicContact CG-CE2 3.95Å; Y173-F228 AromaticContact CG-CZ 3.36Å; Y173-F228 HydrophobicContact CG-CZ 3.36Å
174	Q	86.4	Confident	83.2	Confident	35 Å²	35	42.7 Å²	42.7	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.3	176.9	-64.9	174.6	-7.3	0	0	109.3	W162 H164 H185 E187	W162-Q174 HydrophobicContact CE3-CB 3.77Å; W162-Q174 HydrophobicContact CZ3-CB 4.09Å; H164-Q174 PolarHBondContact NE2-NE2 3.21Å; Q174-H185 PolarHBondContact N-O 2.72Å; Q174-H185 PolarHBondContact O-N 3.42Å; Q174-H185 PolarHBondContact OE1-ND1 3.28Å; Q174-E187 WeakPolarHBondContact CG-OE2 3.23Å; Q174-E187 VanDerWaalsContact NE2-CD 3.31Å; Q174-E187 PolarHBondContact NE2-OE2 3.34Å
175	I	86	Confident	83.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.3	170.1	-61.2	-175.8	0	0	0	108.1	W162 V163 V165 L182 I183 F270	W162-I175 CarbonylContact C-O 3.59Å; W162-I175 WeakPolarHBondContact CA-O 3.36Å; V163-I175 PolarHBondContact N-O 2.93Å; V163-I175 PolarHBondContact O-N 3.14Å; V165-I175 HydrophobicContact CB-CD1 4.39Å; V165-I175 HydrophobicContact CG1-CD1 3.62Å; V165-I175 HydrophobicContact CG1-CG1 3.92Å; V165-I175 HydrophobicContact CG2-CD1 3.93Å; V165-I175 HydrophobicContact CG2-CG1 3.8Å; I175-L182 HydrophobicContact CG2-CD1 3.4Å; I175-L182 VanDerWaalsContact CG2-CD1 3.4Å; I175-L182 HydrophobicContact CG2-CD2 4.49Å; I175-L182 HydrophobicContact CG2-CG 4.01Å; I175-I183 CarbonylContact C-O 3.56Å; I175-I183 WeakPolarHBondContact CA-O 3.07Å; I175-F270 HydrophobicContact CD1-CB 4.43Å; I175-F270 HydrophobicContact CD1-CD1 3.65Å; I175-F270 HydrophobicContact CD1-CD2 3.81Å; I175-F270 HydrophobicContact CD1-CE1 3.69Å; I175-F270 HydrophobicContact CD1-CE2 3.84Å; I175-F270 HydrophobicContact CD1-CG 3.7Å; I175-F270 HydrophobicContact CD1-CZ 3.77Å
176	G	83.8	Confident	82.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.1	171.5	0	0	0	0	0	110.3	W162 I183	W162-G176 VanDerWaalsContact CE3-CA 3.4Å; W162-G176 VanDerWaalsContact CE3-N 3.34Å; G176-I183 PolarHBondContact N-O 2.73Å; G176-I183 PolarHBondContact O-N 3.34Å
177	I	80.3	Confident	81.7	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.4	164	-69.2	171.4	0	0	0	106.6	T160 Q161 L182 W198 L281 L285 I288	T160-I177 CarbonylContact C-O 3.5Å; T160-I177 WeakPolarHBondContact CA-O 3.34Å; Q161-I177 HydrophobicContact CB-CB 4.43Å; Q161-I177 PolarHBondContact N-O 3.35Å; Q161-I177 PolarHBondContact O-N 3.29Å; I177-L182 HydrophobicContact CG1-CD1 3.72Å; I177-W198 HydrophobicContact CG2-CH2 4.01Å; I177-W198 HydrophobicContact CG2-CZ2 4.14Å; I177-L281 HydrophobicContact CD1-CD1 3.58Å; I177-L285 HydrophobicContact CD1-CD2 3.65Å; I177-L285 HydrophobicContact CD1-CG 4.06Å; I177-L285 HydrophobicContact CG1-CD2 3.91Å; I177-I288 HydrophobicContact CG2-CD1 3.71Å
178	N	77.3	Confident	81	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.102	22%	0.22	C	C	.	.			trans	-112.6	-163.2	175.1	76.2	10.6	0	0	0	110.4	T160 D180 G181	T160-N178 HydrophobicContact CG2-CB 4.14Å; T160-N178 WeakPolarHBondContact OG1-CB 3.5Å; N178-D180 PolarHBondContact OD1-N 3.24Å; N178-G181 PolarHBondContact N-O 3.1Å; N178-G181 PolarHBondContact OD1-N 2.73Å; N178-G181 PolarHBondContact OD1-O 2.68Å
179	R	71.2	Confident	80.4	Confident	54 Å²	54	42.3 Å²	42.3	20%	0.204	21%	0.21	C	C	.	.	S	Bend	trans	-71.3	-50.9	176.2	-179.2	177.7	93.6	169.9	12.2	112.8	Y71 H73 W198	Y71-R179 WeakPolarHBondContact O-CG 3.33Å; H73-R179 PolarHBondContact ND1-NE 3.44Å; H73-R179 PolarHBondContact ND1-NH2 2.94Å; H73-R179 PolarHBondContact O-NH1 3.12Å; R179-W198 PolarHBondContact O-NE1 3.39Å
180	D	71.9	Confident	79.4	Confident	77 Å²	77	43.4 Å²	43.4	41%	0.412	22%	0.217	S	C	.	.	S	Bend	trans	-89.8	-10.5	-165.7	-44.8	-77.8	0	0	0	113.2	H73 N178	H73-D180 IonicContact CE1-OD1 3.5Å; H73-D180 PolarHBondContact CE1-OD1 3.26Å; H73-D180 IonicContact ND1-OD1 2.59Å; H73-D180 IonicContact NE2-OD1 3.74Å; N178-D180 PolarHBondContact OD1-N 3.24Å
181	G	80.5	Confident	78.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-154.7	177.8	0	0	0	0	0	116.6	N178 F196 W198	N178-G181 PolarHBondContact N-O 3.1Å; N178-G181 PolarHBondContact OD1-N 2.73Å; N178-G181 PolarHBondContact OD1-O 2.68Å; G181-F196 CarbonylContact C-O 3.54Å; G181-F196 WeakPolarHBondContact CA-O 3.35Å; G181-W198 WeakPolarHBondContact O-CZ2 3.26Å
182	L	86.1	Confident	77.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.6	176.9	-168.4	75.6	0	0	0	110	I175 I177 H195 F196 L201 L213 L285	I175-L182 HydrophobicContact CG2-CD1 3.4Å; I175-L182 VanDerWaalsContact CG2-CD1 3.4Å; I175-L182 HydrophobicContact CG2-CD2 4.49Å; I175-L182 HydrophobicContact CG2-CG 4.01Å; I177-L182 HydrophobicContact CG1-CD1 3.72Å; L182-H195 WeakPolarHBondContact O-CA 3.3Å; L182-F196 PolarHBondContact N-O 3.45Å; L182-F196 PolarHBondContact O-N 3.29Å; L182-L201 HydrophobicContact CB-CD1 3.66Å; L182-L201 HydrophobicContact CD2-CD1 4.25Å; L182-L201 HydrophobicContact CD2-CD2 4.18Å; L182-L213 HydrophobicContact CD2-CD2 3.61Å; L182-L285 HydrophobicContact CD1-CD2 3.77Å
183	I	86.1	Confident	77	Confident	29 Å²	29	47 Å²	47	15%	0.149	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.8	171	-60.1	164.8	0	0	0	108.7	W162 I175 G176 T194	W162-I183 HydrophobicContact CH2-CB 4.32Å; W162-I183 HydrophobicContact CH2-CD1 4.45Å; W162-I183 HydrophobicContact CH2-CG2 3.81Å; W162-I183 HydrophobicContact CZ3-CB 4.47Å; W162-I183 HydrophobicContact CZ3-CG2 4.1Å; I175-I183 CarbonylContact C-O 3.56Å; I175-I183 WeakPolarHBondContact CA-O 3.07Å; G176-I183 PolarHBondContact N-O 2.73Å; G176-I183 PolarHBondContact O-N 3.34Å; I183-T194 CarbonylContact C-O 3.5Å; I183-T194 WeakPolarHBondContact CA-O 3.39Å
184	I	87	Confident	76.9	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	165.8	-56.7	177.5	0	0	0	107.3	Y173 S193 T194 F196 L225 F228 L268 F270	Y173-I184 HydrophobicContact CD1-CG2 4.47Å; I184-S193 CarbonylContact O-C 3.49Å; I184-S193 WeakPolarHBondContact O-CA 3.23Å; I184-T194 PolarHBondContact N-O 2.95Å; I184-T194 PolarHBondContact O-N 3.41Å; I184-F196 HydrophobicContact CD1-CE2 4.15Å; I184-L225 HydrophobicContact CB-CD2 4.36Å; I184-L225 HydrophobicContact CD1-CD1 4.11Å; I184-L225 HydrophobicContact CG2-CD2 3.92Å; I184-F228 HydrophobicContact CG2-CD2 4.46Å; I184-F228 HydrophobicContact CG2-CE2 3.64Å; I184-F228 HydrophobicContact CG2-CZ 4.08Å; I184-L268 HydrophobicContact CD1-CD1 3.82Å; I184-F270 HydrophobicContact CD1-CE1 4.09Å; I184-F270 HydrophobicContact CD1-CZ 4.04Å
185	H	83.2	Confident	76.8	Confident	32 Å²	32	49.8 Å²	49.8	15%	0.148	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.4	-177.7	171.7	-122.8	0	0	0	109.8	W162 Y173 Q174 L192	W162-H185 HydrophobicContact CH2-CB 4.35Å; W162-H185 HydrophobicContact CZ3-CB 4.09Å; Y173-H185 CarbonylContact C-O 3.46Å; Y173-H185 WeakPolarHBondContact CA-O 3.4Å; Y173-H185 WeakPolarHBondContact CB-O 3.4Å; Q174-H185 PolarHBondContact N-O 2.72Å; Q174-H185 PolarHBondContact O-N 3.42Å; Q174-H185 PolarHBondContact OE1-ND1 3.28Å; H185-L192 WeakPolarHBondContact CA-O 3.45Å
186	Q	79.6	Confident	76.8	Confident	36 Å²	36	50.1 Å²	50.1	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.4	172.2	-172.6	163.3	7.6	0	0	110.4	Y173 F188 V189 L192	Y173-Q186 VanDerWaalsContact CD1-CA 3.41Å; Y173-Q186 HydrophobicContact CD1-CB 3.69Å; Y173-Q186 HydrophobicContact CD1-CG 3.97Å; Y173-Q186 HydrophobicContact CE1-CB 3.52Å; Y173-Q186 HydrophobicContact CE1-CG 3.61Å; Q186-F188 PolarHBondContact O-N 3.47Å; Q186-V189 HydrophobicContact CB-CB 4.23Å; Q186-V189 HydrophobicContact CG-CB 4.29Å; Q186-V189 HydrophobicContact CG-CG2 4.2Å; Q186-V189 PolarHBondContact O-N 3.32Å; Q186-V189 VanDerWaalsContact O-N 3.07Å; Q186-L192 HydrophobicContact CB-CB 4.12Å; Q186-L192 PolarHBondContact N-O 2.69Å; Q186-L192 VanDerWaalsContact N-O 3.15Å
187	E	70.2	Confident	76.8	Confident	33 Å²	33	52 Å²	52	15%	0.154	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	138.9	-179.1	-158.7	165.1	129.6	0	0	109.9	H164 L172 Q174 V189	H164-E187 IonicContact CD2-OE2 3.38Å; H164-E187 PolarHBondContact CD2-OE2 2.65Å; H164-E187 IonicContact NE2-OE1 2.76Å; H164-E187 IonicContact NE2-OE2 3.28Å; H164-E187 PolarHBondContact NE2-OE2 2.95Å; L172-E187 HydrophobicContact CB-CB 4.46Å; L172-E187 WeakPolarHBondContact CD2-OE1 3.38Å; L172-E187 HydrophobicContact CG-CB 4.43Å; L172-E187 WeakPolarHBondContact O-CB 3.18Å; L172-E187 PolarHBondContact O-N 3.19Å; Q174-E187 WeakPolarHBondContact CG-OE2 3.23Å; Q174-E187 VanDerWaalsContact NE2-CD 3.31Å; Q174-E187 PolarHBondContact NE2-OE2 3.34Å; E187-V189 PolarHBondContact O-N 3.18Å
188	F	70.8	Confident	76.9	Confident	183 Å²	183	52 Å²	52	80%	0.803	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	6.4	-171.6	-40	-74.3	0	0	0	116.3	Q186	Q186-F188 PolarHBondContact O-N 3.47Å
189	V	68	Low	77.1	Confident	51 Å²	51	57.7 Å²	57.7	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	80.1	178.9	-165.7	0	0	0	0	112.1	Q186 E187 S191 L192	Q186-V189 HydrophobicContact CB-CB 4.23Å; Q186-V189 HydrophobicContact CG-CB 4.29Å; Q186-V189 HydrophobicContact CG-CG2 4.2Å; Q186-V189 PolarHBondContact O-N 3.32Å; Q186-V189 VanDerWaalsContact O-N 3.07Å; E187-V189 PolarHBondContact O-N 3.18Å; V189-S191 PolarHBondContact O-N 3.01Å; V189-L192 HydrophobicContact CG1-CB 4.35Å; V189-L192 HydrophobicContact CG1-CD1 4.01Å; V189-L192 HydrophobicContact CG1-CG 4.4Å; V189-L192 PolarHBondContact O-N 2.94Å
190	E	59.4	Low	77.7	Confident	172 Å²	172	57.7 Å²	57.7	80%	0.804	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	-27.9	-177.7	-63.4	179.1	171.4	0	0	114.4	L192	E190-L192 PolarHBondContact O-N 2.95Å
191	S	62.1	Low	78.3	Confident	108 Å²	108	54.2 Å²	54.2	76%	0.755	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-5.2	178.6	60.2	0	0	0	0	114.6	V189	V189-S191 PolarHBondContact O-N 3.01Å
192	L	64.5	Low	78.5	Confident	63 Å²	63	55.4 Å²	55.4	33%	0.33	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	59.6	-178.8	-81.1	166.2	0	0	0	111.6	H185 Q186 V189 E190	H185-L192 WeakPolarHBondContact CA-O 3.45Å; Q186-L192 HydrophobicContact CB-CB 4.12Å; Q186-L192 PolarHBondContact N-O 2.69Å; Q186-L192 VanDerWaalsContact N-O 3.15Å; V189-L192 HydrophobicContact CG1-CB 4.35Å; V189-L192 HydrophobicContact CG1-CD1 4.01Å; V189-L192 HydrophobicContact CG1-CG 4.4Å; V189-L192 PolarHBondContact O-N 2.94Å; E190-L192 PolarHBondContact O-N 2.95Å
193	S	76.8	Confident	78.3	Confident	76 Å²	76	59 Å²	59	53%	0.531	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.3	164.6	65.1	0	0	0	0	111.1	I184	I184-S193 CarbonylContact O-C 3.49Å; I184-S193 WeakPolarHBondContact O-CA 3.23Å
194	T	83	Confident	78.3	Confident	10 Å²	10	58 Å²	58	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.6	172.5	-48.1	0	0	0	0	110	I183 I184 F196 N221	I183-T194 CarbonylContact C-O 3.5Å; I183-T194 WeakPolarHBondContact CA-O 3.39Å; I184-T194 PolarHBondContact N-O 2.95Å; I184-T194 PolarHBondContact O-N 3.41Å; T194-F196 HydrophobicContact CG2-CD2 4.45Å; T194-F196 HydrophobicContact CG2-CE1 4.13Å; T194-F196 HydrophobicContact CG2-CE2 3.57Å; T194-F196 HydrophobicContact CG2-CZ 3.37Å; T194-N221 HydrophobicContact CG2-CB 4.15Å
195	H	85.7	Confident	78.2	Confident	94 Å²	94	61.8 Å²	61.8	44%	0.435	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.4	179.9	-174.8	-70.4	0	0	0	110.7	L182	L182-H195 WeakPolarHBondContact O-CA 3.3Å
196	F	85.3	Confident	78.4	Confident	6 Å²	6	62 Å²	62	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139	177.1	-59.8	-82.5	0	0	0	110.3	G181 L182 I184 T194 D200 L201 I215 M217 N221 L225	G181-F196 CarbonylContact C-O 3.54Å; G181-F196 WeakPolarHBondContact CA-O 3.35Å; L182-F196 PolarHBondContact N-O 3.45Å; L182-F196 PolarHBondContact O-N 3.29Å; I184-F196 HydrophobicContact CD1-CE2 4.15Å; T194-F196 HydrophobicContact CG2-CD2 4.45Å; T194-F196 HydrophobicContact CG2-CE1 4.13Å; T194-F196 HydrophobicContact CG2-CE2 3.57Å; T194-F196 HydrophobicContact CG2-CZ 3.37Å; F196-D200 HydrophobicContact CB-CB 4.47Å; F196-L201 HydrophobicContact CB-CD2 4.37Å; F196-I215 HydrophobicContact CB-CD1 4.09Å; F196-I215 HydrophobicContact CD1-CD1 3.55Å; F196-I215 HydrophobicContact CD1-CG1 4.26Å; F196-I215 HydrophobicContact CD2-CD1 3.85Å; F196-I215 HydrophobicContact CE1-CD1 3.86Å; F196-I215 HydrophobicContact CE2-CD1 4.15Å; F196-I215 HydrophobicContact CG-CD1 3.54Å; F196-I215 HydrophobicContact CZ-CD1 4.15Å; F196-M217 HydrophobicContact CE1-CB 3.84Å; F196-M217 HydrophobicContact CE1-CE 3.84Å; F196-M217 HydrophobicContact CE1-SD 4.02Å; F196-M217 HydrophobicContact CZ-CE 3.81Å; F196-M217 HydrophobicContact CZ-SD 4.09Å; F196-N221 HydrophobicContact CE1-CB 4.27Å; F196-N221 HydrophobicContact CZ-CB 4.34Å; F196-L225 HydrophobicContact CE2-CD1 3.57Å; F196-L225 HydrophobicContact CZ-CD1 3.42Å; F196-L225 VanDerWaalsContact CZ-CD1 3.42Å
197	S	83.9	Confident	78.7	Confident	40 Å²	40	65.8 Å²	65.8	28%	0.28	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	160.5	176.4	79.4	0	0	0	0	111.1	Q199 D200 L201	S197-Q199 PolarHBondContact O-N 2.68Å; S197-Q199 VanDerWaalsContact O-N 3.1Å; S197-Q199 PolarHBondContact OG-N 2.66Å; S197-D200 WeakPolarHBondContact CA-OD2 3.42Å; S197-D200 VanDerWaalsContact CB-OD2 3.28Å; S197-D200 WeakPolarHBondContact CB-OD2 3.13Å; S197-D200 PolarHBondContact N-OD2 2.86Å; S197-D200 PolarHBondContact O-N 2.92Å; S197-D200 VanDerWaalsContact O-N 3.11Å; S197-D200 PolarHBondContact OG-N 3.26Å; S197-D200 PolarHBondContact OG-OD2 3.19Å; S197-L201 WeakPolarHBondContact O-CG 3.29Å
198	W	82.4	Confident	79.5	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.027	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.3	172.9	-66.1	115	0	0	0	114.6	I177 R179 G181 L201 L285 I288 V292	I177-W198 HydrophobicContact CG2-CH2 4.01Å; I177-W198 HydrophobicContact CG2-CZ2 4.14Å; R179-W198 PolarHBondContact O-NE1 3.39Å; G181-W198 WeakPolarHBondContact O-CZ2 3.26Å; W198-L201 HydrophobicContact CD2-CD1 4.48Å; W198-L201 HydrophobicContact CE3-CD1 3.63Å; W198-L201 HydrophobicContact CZ3-CD1 3.76Å; W198-L285 HydrophobicContact CH2-CD2 4.16Å; W198-L285 HydrophobicContact CZ3-CD2 4.02Å; W198-I288 HydrophobicContact CD2-CG2 3.58Å; W198-I288 HydrophobicContact CE3-CB 4.39Å; W198-I288 HydrophobicContact CE3-CG2 3.67Å; W198-I288 HydrophobicContact CG-CG2 4.32Å; W198-I288 HydrophobicContact CH2-CB 4.3Å; W198-I288 HydrophobicContact CH2-CD1 4.18Å; W198-I288 HydrophobicContact CH2-CG2 3.78Å; W198-I288 HydrophobicContact CZ2-CD1 4.45Å; W198-I288 HydrophobicContact CZ2-CG2 3.65Å; W198-I288 HydrophobicContact CZ3-CB 4.17Å; W198-I288 HydrophobicContact CZ3-CG2 3.77Å; W198-V292 HydrophobicContact CB-CB 3.88Å; W198-V292 HydrophobicContact CB-CG1 3.68Å; W198-V292 HydrophobicContact CB-CG2 4.29Å; W198-V292 HydrophobicContact CG-CB 4.22Å; W198-V292 HydrophobicContact CG-CG1 4.16Å; W198-V292 HydrophobicContact CG-CG2 4.07Å
199	Q	81.3	Confident	80.4	Confident	140 Å²	140	66.3 Å²	66.3	65%	0.654	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-25.5	176.8	-58.2	-179.3	17.5	0	0	112.2	S197 L201	S197-Q199 PolarHBondContact O-N 2.68Å; S197-Q199 VanDerWaalsContact O-N 3.1Å; S197-Q199 PolarHBondContact OG-N 2.66Å; Q199-L201 PolarHBondContact O-N 3.45Å
200	D	84.1	Confident	81.4	Confident	53 Å²	53	67.5 Å²	67.5	28%	0.283	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.8	177.4	-58.2	-57.6	0	0	0	112.3	F196 S197 I215 S216	F196-D200 HydrophobicContact CB-CB 4.47Å; S197-D200 WeakPolarHBondContact CA-OD2 3.42Å; S197-D200 VanDerWaalsContact CB-OD2 3.28Å; S197-D200 WeakPolarHBondContact CB-OD2 3.13Å; S197-D200 PolarHBondContact N-OD2 2.86Å; S197-D200 PolarHBondContact O-N 2.92Å; S197-D200 VanDerWaalsContact O-N 3.11Å; S197-D200 PolarHBondContact OG-N 3.26Å; S197-D200 PolarHBondContact OG-OD2 3.19Å; D200-I215 CarbonylContact O-C 3.52Å; D200-I215 WeakPolarHBondContact O-CA 3.35Å; D200-S216 PolarHBondContact O-N 2.89Å
201	L	85.1	Confident	82.8	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-103.3	129	-164.4	-63.1	173.8	0	0	0	113.3	L182 F196 S197 W198 Q199 L213 I215	L182-L201 HydrophobicContact CB-CD1 3.66Å; L182-L201 HydrophobicContact CD2-CD1 4.25Å; L182-L201 HydrophobicContact CD2-CD2 4.18Å; F196-L201 HydrophobicContact CB-CD2 4.37Å; S197-L201 WeakPolarHBondContact O-CG 3.29Å; W198-L201 HydrophobicContact CD2-CD1 4.48Å; W198-L201 HydrophobicContact CE3-CD1 3.63Å; W198-L201 HydrophobicContact CZ3-CD1 3.76Å; Q199-L201 PolarHBondContact O-N 3.45Å; L201-L213 HydrophobicContact CD2-CD1 4.49Å; L201-L213 HydrophobicContact CD2-CD2 4.06Å; L201-L213 HydrophobicContact CD2-CG 4.4Å; L201-I215 HydrophobicContact CD2-CB 4.28Å; L201-I215 HydrophobicContact CD2-CD1 3.42Å; L201-I215 VanDerWaalsContact CD2-CD1 3.42Å; L201-I215 HydrophobicContact CD2-CG1 3.78Å
202	G	83.8	Confident	84.1	Confident	24 Å²	24	55.7 Å²	55.7	25%	0.247	30%	0.3	C	S	.	.			trans	-89.2	-178.3	174.2	0	0	0	0	0	114	A204 L213 P214	G202-A204 PolarHBondContact O-N 3.15Å; G202-A204 VanDerWaalsContact O-N 3.13Å; G202-L213 WeakPolarHBondContact O-CD1 3.48Å; G202-P214 PolarHBondContact N-O 2.82Å
203	N	82.9	Confident	85.3	Confident	77 Å²	77	52.7 Å²	52.7	41%	0.412	28%	0.284	S	S	.	.			trans	-66.6	111	179.6	-75.9	-42.8	0	0	0	112.2	P214 Y286 N290	N203-P214 VanDerWaalsContact O-CD 3.32Å; N203-P214 WeakPolarHBondContact O-CD 3.18Å; N203-Y286 HydrophobicContact CB-CD2 4.08Å; N203-Y286 HydrophobicContact CB-CE2 4.37Å; N203-Y286 WeakPolarHBondContact OD1-CD2 3.32Å; N203-Y286 WeakPolarHBondContact OD1-CE2 3.48Å; N203-N290 PolarHBondContact OD1-ND2 3.21Å
204	A	85.5	Confident	85.9	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	28%	0.275	C	S	.	.			trans	-63.4	145.3	172.4	0	0	0	0	0	112.1	G202 T212 L213 A282 L285	G202-A204 PolarHBondContact O-N 3.15Å; G202-A204 VanDerWaalsContact O-N 3.13Å; A204-T212 WeakPolarHBondContact CA-O 3.14Å; A204-L213 HydrophobicContact CB-CD1 4.05Å; A204-A282 HydrophobicContact CB-CB 4.22Å; A204-L285 HydrophobicContact CB-CB 3.64Å; A204-L285 HydrophobicContact CB-CD1 4.01Å; A204-L285 HydrophobicContact CB-CG 4.49Å
205	T	85.6	Confident	86.1	Confident	81 Å²	81	51.1 Å²	51.1	50%	0.497	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.9	174.4	56.7	0	0	0	0	110.6	V211 T212	T205-V211 CarbonylContact O-C 3.41Å; T205-V211 WeakPolarHBondContact O-CA 3.43Å; T205-T212 PolarHBondContact N-O 3.29Å; T205-T212 PolarHBondContact O-N 3.49Å; T205-T212 PolarHBondContact OG1-O 2.91Å
206	A	85.6	Confident	86.1	Confident	37 Å²	37	48.3 Å²	48.3	31%	0.306	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.5	177.5	0	0	0	0	0	111.8	I210 V211 A278 Q279 A282	A206-I210 CarbonylContact C-O 3.52Å; A206-I210 WeakPolarHBondContact CA-O 3.33Å; A206-V211 HydrophobicContact CB-CG2 4.38Å; A206-A278 HydrophobicContact CB-CB 4.36Å; A206-Q279 HydrophobicContact CB-CG 4.07Å; A206-A282 HydrophobicContact CB-CB 3.76Å
207	N	87.2	Confident	86.1	Confident	116 Å²	116	48.4 Å²	48.4	62%	0.62	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	111.9	172	-175.2	-5.9	0	0	0	109	S209 I210	N207-S209 PolarHBondContact O-N 2.89Å; N207-I210 PolarHBondContact N-O 2.77Å; N207-I210 PolarHBondContact O-N 3.38Å
208	R	87.5	Confident	86	Confident	203 Å²	203	48.7 Å²	48.7	77%	0.766	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	-133.5	-164.6	-57	178.7	-179.8	178	-0.8	109.3	I210 A275 A278	R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 2.94Å; R208-A275 VanDerWaalsContact C-CB 3.46Å; R208-A275 WeakPolarHBondContact O-CA 3.35Å; R208-A278 WeakPolarHBondContact O-CB 3.36Å
209	S	88.3	Confident	85.8	Confident	24 Å²	24	50.7 Å²	50.7	17%	0.168	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	11.5	177.5	58	0	0	0	0	114.8	N207 L272	N207-S209 PolarHBondContact O-N 2.89Å; S209-L272 WeakPolarHBondContact CB-O 3.13Å; S209-L272 PolarHBondContact O-N 3.33Å
210	I	89.5	Confident	85.7	Confident	76 Å²	76	49.3 Å²	49.3	39%	0.39	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.4	178.3	-56.9	174.8	0	0	0	109.9	A206 N207 R208 F270	A206-I210 CarbonylContact C-O 3.52Å; A206-I210 WeakPolarHBondContact CA-O 3.33Å; N207-I210 PolarHBondContact N-O 2.77Å; N207-I210 PolarHBondContact O-N 3.38Å; R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 2.94Å; I210-F270 CarbonylContact C-O 3.52Å; I210-F270 VanDerWaalsContact CA-O 3.31Å; I210-F270 WeakPolarHBondContact CA-O 3.39Å
211	V	88.2	Confident	85.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.7	167.3	176.5	0	0	0	0	109.1	T205 A206 K269 F270 L272 A278 L281 A282	T205-V211 CarbonylContact O-C 3.41Å; T205-V211 WeakPolarHBondContact O-CA 3.43Å; A206-V211 HydrophobicContact CB-CG2 4.38Å; V211-K269 WeakPolarHBondContact O-CA 3.1Å; V211-F270 HydrophobicContact CB-CB 4.44Å; V211-F270 HydrophobicContact CB-CD2 4.27Å; V211-F270 HydrophobicContact CG1-CD2 4.17Å; V211-F270 PolarHBondContact N-O 2.89Å; V211-F270 PolarHBondContact O-N 2.82Å; V211-L272 HydrophobicContact CB-CD1 4.35Å; V211-L272 HydrophobicContact CG2-CD1 3.79Å; V211-A278 HydrophobicContact CG2-CB 3.75Å; V211-A278 VanDerWaalsContact CG2-O 3.22Å; V211-A278 WeakPolarHBondContact CG2-O 3.45Å; V211-L281 HydrophobicContact CG2-CB 4.42Å; V211-L281 HydrophobicContact CG2-CD2 4.23Å; V211-A282 HydrophobicContact CG1-CB 4.3Å; V211-A282 HydrophobicContact CG2-CB 4.36Å
212	T	90.2	Very high	85.4	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.19	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.9	176.5	-59.8	0	0	0	0	108.6	A204 T205 I267 L268 K269	A204-T212 WeakPolarHBondContact CA-O 3.14Å; T205-T212 PolarHBondContact N-O 3.29Å; T205-T212 PolarHBondContact O-N 3.49Å; T205-T212 PolarHBondContact OG1-O 2.91Å; T212-I267 HydrophobicContact CG2-CG2 3.31Å; T212-L268 WeakPolarHBondContact CA-O 3.08Å; T212-K269 HydrophobicContact CG2-CG 4.29Å
213	L	89.9	Confident	85	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	111.7	-173.9	176.7	61.1	0	0	0	109.9	L182 L201 G202 A204 L268 F270 L285	L182-L213 HydrophobicContact CD2-CD2 3.61Å; L201-L213 HydrophobicContact CD2-CD1 4.49Å; L201-L213 HydrophobicContact CD2-CD2 4.06Å; L201-L213 HydrophobicContact CD2-CG 4.4Å; G202-L213 WeakPolarHBondContact O-CD1 3.48Å; A204-L213 HydrophobicContact CB-CD1 4.05Å; L213-L268 PolarHBondContact N-O 3.03Å; L213-L268 PolarHBondContact O-N 3.34Å; L213-F270 HydrophobicContact CB-CE2 3.85Å; L213-F270 HydrophobicContact CD2-CE2 3.78Å; L213-F270 HydrophobicContact CD2-CZ 4.22Å; L213-F270 HydrophobicContact CG-CE2 4.49Å; L213-L285 HydrophobicContact CD2-CD1 4.38Å
214	P	88.9	Confident	84.8	Confident	51 Å²	51	54.5 Å²	54.5	33%	0.331	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143.1	168.8	-13.3	28.4	0	0	0	110.2	G202 N203 Y266	G202-P214 PolarHBondContact N-O 2.82Å; N203-P214 VanDerWaalsContact O-CD 3.32Å; N203-P214 WeakPolarHBondContact O-CD 3.18Å; P214-Y266 WeakPolarHBondContact CA-O 3.27Å
215	I	88	Confident	84.4	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.8	-177.5	-171.7	160.5	0	0	0	111.4	F196 D200 L201 M217 Q265 Y266 L268	F196-I215 HydrophobicContact CB-CD1 4.09Å; F196-I215 HydrophobicContact CD1-CD1 3.55Å; F196-I215 HydrophobicContact CD1-CG1 4.26Å; F196-I215 HydrophobicContact CD2-CD1 3.85Å; F196-I215 HydrophobicContact CE1-CD1 3.86Å; F196-I215 HydrophobicContact CE2-CD1 4.15Å; F196-I215 HydrophobicContact CG-CD1 3.54Å; F196-I215 HydrophobicContact CZ-CD1 4.15Å; D200-I215 CarbonylContact O-C 3.52Å; D200-I215 WeakPolarHBondContact O-CA 3.35Å; L201-I215 HydrophobicContact CD2-CB 4.28Å; L201-I215 HydrophobicContact CD2-CD1 3.42Å; L201-I215 VanDerWaalsContact CD2-CD1 3.42Å; L201-I215 HydrophobicContact CD2-CG1 3.78Å; I215-M217 HydrophobicContact CB-CE 4.35Å; I215-M217 HydrophobicContact CD1-CE 3.85Å; I215-M217 HydrophobicContact CG1-CE 4.02Å; I215-M217 HydrophobicContact CG2-CE 3.4Å; I215-M217 VanDerWaalsContact CG2-CE 3.4Å; I215-Q265 CarbonylContact O-C 3.46Å; I215-Q265 WeakPolarHBondContact O-CA 3.2Å; I215-Y266 PolarHBondContact N-O 3.01Å; I215-Y266 PolarHBondContact O-N 3.2Å; I215-L268 HydrophobicContact CB-CD1 4.44Å; I215-L268 HydrophobicContact CD1-CD1 3.86Å; I215-L268 HydrophobicContact CG2-CD1 3.88Å; I215-L268 HydrophobicContact CG2-CD2 4.48Å; I215-L268 HydrophobicContact CG2-CG 3.74Å
216	S	84.3	Confident	83.8	Confident	35 Å²	35	55.4 Å²	55.4	25%	0.245	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.4	170.7	-53.1	0	0	0	0	109.3	D200 Q264	D200-S216 PolarHBondContact O-N 2.89Å; S216-Q264 WeakPolarHBondContact CA-O 3.38Å
217	M	85.3	Confident	83.4	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.034	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.9	176.3	68.1	176.8	85.8	0	0	113	F196 I215 N221 A222 L225 S263 Q264 Y266 L268	F196-M217 HydrophobicContact CE1-CB 3.84Å; F196-M217 HydrophobicContact CE1-CE 3.84Å; F196-M217 HydrophobicContact CE1-SD 4.02Å; F196-M217 HydrophobicContact CZ-CE 3.81Å; F196-M217 HydrophobicContact CZ-SD 4.09Å; I215-M217 HydrophobicContact CB-CE 4.35Å; I215-M217 HydrophobicContact CD1-CE 3.85Å; I215-M217 HydrophobicContact CG1-CE 4.02Å; I215-M217 HydrophobicContact CG2-CE 3.4Å; I215-M217 VanDerWaalsContact CG2-CE 3.4Å; M217-N221 HydrophobicContact CB-CB 4.37Å; M217-N221 HydrophobicContact SD-CB 3.94Å; M217-A222 HydrophobicContact CG-CB 4.27Å; M217-A222 VanDerWaalsContact SD-CA 3.53Å; M217-A222 HydrophobicContact SD-CB 3.95Å; M217-A222 PolarHBondContact SD-N 3.24Å; M217-L225 HydrophobicContact CE-CD1 4.19Å; M217-L225 HydrophobicContact SD-CD1 4.48Å; M217-S263 CarbonylContact O-C 3.6Å; M217-S263 WeakPolarHBondContact O-CA 3.15Å; M217-Q264 PolarHBondContact N-O 2.95Å; M217-Q264 PolarHBondContact O-N 3.21Å; M217-Y266 HydrophobicContact CG-CD2 3.55Å; M217-Y266 HydrophobicContact CG-CE2 3.71Å; M217-Y266 HydrophobicContact SD-CD2 4.43Å; M217-L268 HydrophobicContact CE-CD1 4.4Å; M217-L268 HydrophobicContact CE-CD2 4.23Å
218	N	83.4	Confident	82.7	Confident	46 Å²	46	49.9 Å²	49.9	25%	0.246	25%	0.252	C	S	.	.			trans	-75.2	166.4	171	72.1	-7.5	0	0	0	111.6	E220 N221 A222	N218-E220 VanDerWaalsContact C-N 3.3Å; N218-E220 PolarHBondContact O-N 3.15Å; N218-N221 PolarHBondContact O-N 2.96Å; N218-N221 VanDerWaalsContact OD1-CB 3.29Å; N218-N221 WeakPolarHBondContact OD1-CB 3.39Å; N218-N221 PolarHBondContact OD1-N 2.88Å; N218-A222 PolarHBondContact O-N 3.39Å; N218-A222 VanDerWaalsContact O-N 3.16Å
219	A	78	Confident	82.2	Confident	50 Å²	50	40.8 Å²	40.8	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-36.4	-179.9	0	0	0	0	0	113.1	N221 A222 E223	A219-N221 PolarHBondContact O-N 3.33Å; A219-A222 WeakPolarHBondContact O-CB 3.48Å; A219-A222 PolarHBondContact O-N 2.94Å; A219-A222 VanDerWaalsContact O-N 3.17Å; A219-E223 WeakPolarHBondContact O-CG 3.2Å; A219-E223 PolarHBondContact O-N 2.81Å
220	E	79.1	Confident	81.2	Confident	111 Å²	111	41.3 Å²	41.3	52%	0.519	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-42.1	-179.2	-165.7	-157	139.4	0	0	112.6	N218 A222 K224	N218-E220 VanDerWaalsContact C-N 3.3Å; N218-E220 PolarHBondContact O-N 3.15Å; E220-A222 VanDerWaalsContact C-N 3.35Å; E220-K224 WeakPolarHBondContact O-CG 3.47Å; E220-K224 PolarHBondContact O-N 3.31Å; E220-K224 VanDerWaalsContact OE1-CE 3.3Å; E220-K224 WeakPolarHBondContact OE1-CE 3.37Å; E220-K224 IonicContact OE1-NZ 2.67Å; E220-K224 PolarHBondContact OE1-NZ 3.23Å
221	N	80.8	Confident	79.7	Confident	34 Å²	34	43.6 Å²	43.6	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-75.7	-25.9	175.6	-70.5	-14.5	0	0	0	112.1	T194 F196 M217 N218 A219 K224 L225	T194-N221 HydrophobicContact CG2-CB 4.15Å; F196-N221 HydrophobicContact CE1-CB 4.27Å; F196-N221 HydrophobicContact CZ-CB 4.34Å; M217-N221 HydrophobicContact CB-CB 4.37Å; M217-N221 HydrophobicContact SD-CB 3.94Å; N218-N221 PolarHBondContact O-N 2.96Å; N218-N221 VanDerWaalsContact OD1-CB 3.29Å; N218-N221 WeakPolarHBondContact OD1-CB 3.39Å; N218-N221 PolarHBondContact OD1-N 2.88Å; A219-N221 PolarHBondContact O-N 3.33Å; N221-K224 PolarHBondContact OD1-NZ 3.35Å; N221-L225 WeakPolarHBondContact O-CG 2.98Å; N221-L225 PolarHBondContact O-N 3.4Å
222	A	80.8	Confident	77.7	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-42.8	171.6	0	0	0	0	0	111.4	M217 N218 A219 E220 K224 L225 M226 I229 Y266	M217-A222 HydrophobicContact CG-CB 4.27Å; M217-A222 VanDerWaalsContact SD-CA 3.53Å; M217-A222 HydrophobicContact SD-CB 3.95Å; M217-A222 PolarHBondContact SD-N 3.24Å; N218-A222 PolarHBondContact O-N 3.39Å; N218-A222 VanDerWaalsContact O-N 3.16Å; A219-A222 WeakPolarHBondContact O-CB 3.48Å; A219-A222 PolarHBondContact O-N 2.94Å; A219-A222 VanDerWaalsContact O-N 3.17Å; E220-A222 VanDerWaalsContact C-N 3.35Å; A222-K224 VanDerWaalsContact C-N 3.33Å; A222-K224 PolarHBondContact O-N 3.27Å; A222-L225 CarbonylContact O-C 3.58Å; A222-L225 PolarHBondContact O-N 3.34Å; A222-M226 WeakPolarHBondContact O-CG 3.29Å; A222-M226 PolarHBondContact O-N 2.92Å; A222-I229 HydrophobicContact CB-CD1 3.92Å; A222-I229 WeakPolarHBondContact O-CD1 3.38Å; A222-Y266 HydrophobicContact CB-CD1 4.49Å; A222-Y266 HydrophobicContact CB-CD2 4.4Å; A222-Y266 HydrophobicContact CB-CE1 3.88Å; A222-Y266 HydrophobicContact CB-CE2 3.77Å; A222-Y266 VanDerWaalsContact CB-CZ 3.48Å
223	E	76.9	Confident	75.3	Confident	148 Å²	148	52.9 Å²	52.9	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-58.1	-42.4	174.4	-75.9	179.8	-175.7	0	0	112.1	A219 L225 M226	A219-E223 WeakPolarHBondContact O-CG 3.2Å; A219-E223 PolarHBondContact O-N 2.81Å; E223-L225 PolarHBondContact O-N 2.83Å; E223-M226 WeakPolarHBondContact O-CG 3.49Å
224	K	77	Confident	72.6	Confident	82 Å²	82	58.5 Å²	58.5	36%	0.357	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-19.4	175	-65.8	168	-160.2	162.1	0	114.2	E220 N221 A222	E220-K224 WeakPolarHBondContact O-CG 3.47Å; E220-K224 PolarHBondContact O-N 3.31Å; E220-K224 VanDerWaalsContact OE1-CE 3.3Å; E220-K224 WeakPolarHBondContact OE1-CE 3.37Å; E220-K224 IonicContact OE1-NZ 2.67Å; E220-K224 PolarHBondContact OE1-NZ 3.23Å; N221-K224 PolarHBondContact OD1-NZ 3.35Å; A222-K224 VanDerWaalsContact C-N 3.33Å; A222-K224 PolarHBondContact O-N 3.27Å
225	L	77.9	Confident	70.1	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	16.8	-172.8	-63.6	178.5	0	0	0	113.9	I184 F196 M217 N221 A222 E223 D227 F228 I229 L268	I184-L225 HydrophobicContact CB-CD2 4.36Å; I184-L225 HydrophobicContact CD1-CD1 4.11Å; I184-L225 HydrophobicContact CG2-CD2 3.92Å; F196-L225 HydrophobicContact CE2-CD1 3.57Å; F196-L225 HydrophobicContact CZ-CD1 3.42Å; F196-L225 VanDerWaalsContact CZ-CD1 3.42Å; M217-L225 HydrophobicContact CE-CD1 4.19Å; M217-L225 HydrophobicContact SD-CD1 4.48Å; N221-L225 WeakPolarHBondContact O-CG 2.98Å; N221-L225 PolarHBondContact O-N 3.4Å; A222-L225 CarbonylContact O-C 3.58Å; A222-L225 PolarHBondContact O-N 3.34Å; E223-L225 PolarHBondContact O-N 2.83Å; L225-D227 PolarHBondContact O-N 3.08Å; L225-F228 HydrophobicContact CB-CD2 4.35Å; L225-F228 HydrophobicContact CD2-CD2 3.93Å; L225-F228 HydrophobicContact CD2-CE2 4.08Å; L225-F228 PolarHBondContact O-N 2.96Å; L225-I229 PolarHBondContact O-N 2.73Å; L225-L268 HydrophobicContact CB-CD2 4.45Å
226	M	73.2	Confident	67.3	Low	101 Å²	101	70.3 Å²	70.3	50%	0.498	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-30	-179.5	-76.3	-63.8	-72.6	0	0	114	A222 E223 F228 I229	A222-M226 WeakPolarHBondContact O-CG 3.29Å; A222-M226 PolarHBondContact O-N 2.92Å; E223-M226 WeakPolarHBondContact O-CG 3.49Å; M226-F228 PolarHBondContact O-N 3.18Å; M226-I229 PolarHBondContact O-N 3.07Å; M226-I229 HydrophobicContact SD-CD1 4.34Å
227	D	76.3	Confident	64.7	Low	36 Å²	36	76.6 Å²	76.6	19%	0.193	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.3	179.4	-72.3	-12.2	0	0	0	114.2	D167 Q168 K169 Q171 Y173 L225	D167-D227 HydrophobicContact CB-CB 4.06Å; Q168-D227 PolarHBondContact N-O 3.1Å; K169-D227 WeakPolarHBondContact CE-OD1 3.48Å; K169-D227 IonicContact NZ-OD1 3.18Å; K169-D227 PolarHBondContact NZ-OD1 2.92Å; K169-D227 IonicContact NZ-OD2 2.72Å; K169-D227 PolarHBondContact NZ-OD2 3.01Å; Q171-D227 PolarHBondContact NE2-OD2 2.89Å; Y173-D227 PolarHBondContact OH-OD2 2.8Å; L225-D227 PolarHBondContact O-N 3.08Å
228	F	73.7	Confident	61.9	Low	0 Å²	0	85.9 Å²	85.9	0%	0	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-22.1	175.1	-66.1	-66.9	0	0	0	114.2	V165 D167 Y173 I184 L225 M226 D230 L268 K269 F270	V165-F228 HydrophobicContact CG2-CE1 4.1Å; V165-F228 HydrophobicContact CG2-CZ 4.32Å; D167-F228 HydrophobicContact CB-CD1 4.15Å; D167-F228 HydrophobicContact CB-CE1 4.02Å; Y173-F228 AromaticContact CD1-CE2 3.65Å; Y173-F228 HydrophobicContact CD1-CE2 3.65Å; Y173-F228 AromaticContact CD1-CZ 3.58Å; Y173-F228 HydrophobicContact CD1-CZ 3.58Å; Y173-F228 HydrophobicContact CD2-CE1 4.19Å; Y173-F228 HydrophobicContact CD2-CE2 4.23Å; Y173-F228 AromaticContact CD2-CZ 3.54Å; Y173-F228 HydrophobicContact CD2-CZ 3.54Å; Y173-F228 AromaticContact CE1-CE2 3.72Å; Y173-F228 HydrophobicContact CE1-CE2 3.72Å; Y173-F228 HydrophobicContact CE1-CZ 4.01Å; Y173-F228 HydrophobicContact CE2-CE2 4.27Å; Y173-F228 AromaticContact CE2-CZ 3.95Å; Y173-F228 HydrophobicContact CE2-CZ 3.95Å; Y173-F228 HydrophobicContact CG-CE1 4.35Å; Y173-F228 AromaticContact CG-CE2 3.95Å; Y173-F228 HydrophobicContact CG-CE2 3.95Å; Y173-F228 AromaticContact CG-CZ 3.36Å; Y173-F228 HydrophobicContact CG-CZ 3.36Å; I184-F228 HydrophobicContact CG2-CD2 4.46Å; I184-F228 HydrophobicContact CG2-CE2 3.64Å; I184-F228 HydrophobicContact CG2-CZ 4.08Å; L225-F228 HydrophobicContact CB-CD2 4.35Å; L225-F228 HydrophobicContact CD2-CD2 3.93Å; L225-F228 HydrophobicContact CD2-CE2 4.08Å; L225-F228 PolarHBondContact O-N 2.96Å; M226-F228 PolarHBondContact O-N 3.18Å; F228-D230 PolarHBondContact O-N 2.69Å; F228-L268 HydrophobicContact CB-CB 4.36Å; F228-L268 HydrophobicContact CB-CD2 3.7Å; F228-K269 PolarHBondContact O-N 3.46Å; F228-F270 AromaticContact CD1-CD1 3.48Å; F228-F270 HydrophobicContact CD1-CD1 3.48Å; F228-F270 VanDerWaalsContact CD1-CD1 3.48Å; F228-F270 AromaticContact CD1-CE1 3.73Å; F228-F270 HydrophobicContact CD1-CE1 3.73Å; F228-F270 AromaticContact CE1-CD1 3.55Å; F228-F270 HydrophobicContact CE1-CD1 3.55Å; F228-F270 AromaticContact CE1-CE1 3.93Å; F228-F270 HydrophobicContact CE1-CE1 3.93Å; F228-F270 HydrophobicContact CG-CD1 4.25Å; F228-F270 HydrophobicContact CG-CE1 4.04Å; F228-F270 HydrophobicContact CZ-CD1 4.34Å; F228-F270 HydrophobicContact CZ-CE1 4.38Å
229	I	77.5	Confident	59.2	Low	13 Å²	13	87.6 Å²	87.6	7%	0.067	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-79.1	119.2	-168.6	-64.5	170.7	0	0	0	110.6	Q168 A222 L225 M226 I231 Y266 L268	Q168-I229 PolarHBondContact NE2-O 2.9Å; A222-I229 HydrophobicContact CB-CD1 3.92Å; A222-I229 WeakPolarHBondContact O-CD1 3.38Å; L225-I229 PolarHBondContact O-N 2.73Å; M226-I229 PolarHBondContact O-N 3.07Å; M226-I229 HydrophobicContact SD-CD1 4.34Å; I229-I231 HydrophobicContact CG2-CG1 3.7Å; I229-Y266 HydrophobicContact CD1-CD1 3.99Å; I229-Y266 HydrophobicContact CD1-CE1 4.45Å; I229-Y266 HydrophobicContact CD1-CG 4.37Å; I229-Y266 HydrophobicContact CG2-CD1 3.89Å; I229-L268 HydrophobicContact CG1-CD2 3.82Å
230	D	66.7	Low	56.7	Low	35 Å²	35	90 Å²	90	19%	0.187	47%	0.474	C	S	.	.			trans	-100.7	101.8	166.8	-176.4	7.8	0	0	0	109.2	F228 K232 I267 K269	F228-D230 PolarHBondContact O-N 2.69Å; D230-K232 PolarHBondContact O-N 2.81Å; D230-I267 PolarHBondContact N-O 3.3Å; D230-I267 VanDerWaalsContact N-O 3.08Å; D230-K269 HydrophobicContact CB-CD 3.7Å; D230-K269 HydrophobicContact CB-CG 4.17Å; D230-K269 WeakPolarHBondContact OD2-CE 3.35Å; D230-K269 IonicContact OD2-NZ 2.65Å; D230-K269 PolarHBondContact OD2-NZ 3.3Å
231	I	57.1	Low	54.3	Low	124 Å²	124	88.4 Å²	88.4	64%	0.636	48%	0.475	S	S	*	.			trans	-73.3	87.8	-173.7	-53.7	178.6	0	0	0	110.1	I229	I229-I231 HydrophobicContact CG2-CG1 3.7Å
232	K	47.2	Very low	51.7	Low	167 Å²	167	94.8 Å²	94.8	73%	0.726	51%	0.509	S	S	*	.			trans	-130	32.9	177.7	-75	-165.4	176.5	-174.5	0	116.2	D230	D230-K232 PolarHBondContact O-N 2.81Å
233	S	40.1	Very low	49.3	Very low	58 Å²	58	101.5 Å²	101.5	41%	0.406	54%	0.542	S	S	.	.			trans	-157.3	89.6	159.2	52.9	0	0	0	0	112.3	T235	S233-T235 PolarHBondContact O-N 3.38Å
234	S	33.1	Very low	46.9	Very low	119 Å²	119	99.1 Å²	99.1	83%	0.832	55%	0.547	S	S	*	.			trans	-77.3	57	163.1	67.2	0	0	0	0	110.7	K236	S234-K236 PolarHBondContact O-N 3.28Å
235	T	36.4	Very low	44.8	Very low	106 Å²	106	102.9 Å²	102.9	65%	0.65	57%	0.571	S	S	*	*			trans	-65.6	88.1	159	34.4	0	0	0	0	107.2	S233 M237	S233-T235 PolarHBondContact O-N 3.38Å; T235-M237 PolarHBondContact O-N 3.46Å
236	K	28.1	Very low	42.7	Very low	195 Å²	195	108.9 Å²	108.9	85%	0.848	60%	0.602	S	S	*	*			trans	-44.9	120.8	150.5	-76.8	-174	175.5	-176.3	0	105.5	S234 K238	S234-K236 PolarHBondContact O-N 3.28Å; K236-K238 VanDerWaalsContact C-N 3.34Å; K236-K238 PolarHBondContact O-N 2.95Å
237	M	30.9	Very low	40.8	Very low	168 Å²	168	112.8 Å²	112.8	83%	0.828	62%	0.616	S	S	*	*			trans	-57.6	111	159.6	-71.4	-175.5	75.5	0	0	105.6	T235 S239	T235-M237 PolarHBondContact O-N 3.46Å; M237-S239 PolarHBondContact O-N 2.81Å
238	K	25.4	Very low	38.8	Very low	202 Å²	202	117.3 Å²	117.3	88%	0.878	64%	0.641	S	S	*	*			trans	-61.6	94.6	146.1	-87.2	-172	173	-176.4	0	103.8	K236 A240	K236-K238 VanDerWaalsContact C-N 3.34Å; K236-K238 PolarHBondContact O-N 2.95Å; K238-A240 PolarHBondContact O-N 3.09Å
239	S	26.1	Very low	37.1	Very low	82 Å²	82	125 Å²	125	57%	0.573	68%	0.682	S	S	*	*			trans	-48.9	118.6	165.1	-57.5	0	0	0	0	106.2	M237 S241	M237-S239 PolarHBondContact O-N 2.81Å; S239-S241 PolarHBondContact O-N 3.35Å; S239-S241 PolarHBondContact O-OG 2.94Å
240	A	25.9	Very low	35.1	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	72%	0.717	S	S	*	*			trans	-74.6	36.9	175.9	0	0	0	0	0	110.8	K238 N242	K238-A240 PolarHBondContact O-N 3.09Å; A240-N242 PolarHBondContact O-N 2.53Å
241	S	28.3	Very low	33.6	Very low	78 Å²	78	140.8 Å²	140.8	55%	0.545	75%	0.75	S	S	.	*			trans	-69.2	95.7	168.5	50.7	0	0	0	0	107.8	S239 M243	S239-S241 PolarHBondContact O-N 3.35Å; S239-S241 PolarHBondContact O-OG 2.94Å; S241-M243 PolarHBondContact O-N 3.12Å
242	N	27.5	Very low	32.4	Very low	167 Å²	167	141 Å²	141	89%	0.893	75%	0.753	S	S	*	*			trans	-65.1	73.3	163.1	-78.3	-20.2	0	0	0	109.5	A240	A240-N242 PolarHBondContact O-N 2.53Å
243	M	30.6	Very low	31.7	Very low	145 Å²	145	139 Å²	139	71%	0.714	76%	0.759	S	S	*	*			trans	-126.7	22.7	174.4	-84.7	-169.7	165.7	0	0	112.1	S241 N245	S241-M243 PolarHBondContact O-N 3.12Å; M243-N245 PolarHBondContact O-N 2.89Å
244	A	26.9	Very low	31.4	Very low	97 Å²	97	143 Å²	143	80%	0.802	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	52.2	164	0	0	0	0	0	111.4
245	N	31	Very low	31.2	Very low	161 Å²	161	141.6 Å²	141.6	86%	0.861	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173	49.6	167.9	-101.5	-16.1	0	0	0	113.7	M243	M243-N245 PolarHBondContact O-N 2.89Å
246	I	34.8	Very low	31	Very low	133 Å²	133	144.9 Å²	144.9	68%	0.682	77%	0.774	S	S	*	*			trans	-126.8	101.2	155.3	-55.4	-179.8	0	0	0	107.7
247	K	33.6	Very low	31.1	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	77%	0.769	S	S	*	*			trans	-87.6	150.1	157.3	-71	-179.8	176.8	177	0	107.6
248	D	34.1	Very low	31	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	77%	0.767	S	S	*	*			trans	62	116	170.5	-45.8	-49.9	0	0	0	112.1
249	D	37.8	Very low	31.4	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	76%	0.757	S	S	*	*				-139.8	165.9	56.6	-114.2	-42.8	0	0	0	115.3
250	R	35.3	Very low	32.2	Very low	213 Å²	213	143.9 Å²	143.9	80%	0.804	77%	0.77	S	S	*	*			trans	-91.7	154.9	169	-62	175.1	-173.5	145.7	5.1	109.5
251	N	35.7	Very low	33.3	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	77%	0.766	S	S	*	*			trans	77.1	70.5	173.5	-42.2	-33.2	0	0	0	116.2
252	N	32.4	Very low	34.8	Very low	130 Å²	130	145.4 Å²	145.4	70%	0.695	76%	0.761	S	S	*	*			trans	-139.8	110.2	136.2	-164.2	12.5	0	0	0	110.9	Q254	N252-Q254 PolarHBondContact ND2-OE1 2.84Å; N252-Q254 PolarHBondContact O-N 2.81Å
253	S	30.8	Very low	36.8	Very low	123 Å²	123	141.2 Å²	141.2	86%	0.86	74%	0.744	S	S	*	*			trans	-89.6	81.8	-177.1	53.9	0	0	0	0	110.7
254	Q	34.5	Very low	39.2	Very low	143 Å²	143	139 Å²	139	67%	0.668	73%	0.732	S	S	*	*			trans	-130.3	102.3	-179.7	-123.6	172.3	-15.9	0	0	112	N252 I256	N252-Q254 PolarHBondContact ND2-OE1 2.84Å; N252-Q254 PolarHBondContact O-N 2.81Å; Q254-I256 PolarHBondContact O-N 2.93Å
255	S	28.5	Very low	41.9	Very low	90 Å²	90	141.5 Å²	141.5	63%	0.629	73%	0.727	S	S	*	*			trans	18.3	95.3	156.8	58.4	0	0	0	0	118.7	E257	S255-E257 PolarHBondContact O-N 3.33Å
256	I	32	Very low	44.5	Very low	175 Å²	175	135.8 Å²	135.8	90%	0.897	69%	0.694	S	S	*	*			trans	-89	66.6	155.2	-50	-178.8	0	0	0	108.4	Q254	Q254-I256 PolarHBondContact O-N 2.93Å
257	E	30.6	Very low	47.1	Very low	161 Å²	161	131.5 Å²	131.5	75%	0.752	67%	0.672	S	S	*	*			trans	-114.2	34.6	174.6	-80.1	-157.2	106	0	0	112.1	S255	S255-E257 PolarHBondContact O-N 3.33Å
258	N	29.1	Very low	49.7	Very low	146 Å²	146	122.8 Å²	122.8	78%	0.781	63%	0.634	S	S	*	*			trans	-141.2	90.1	179.7	-86.4	-52.5	0	0	0	112
259	D	33.3	Very low	52.3	Low	126 Å²	126	119.2 Å²	119.2	67%	0.674	61%	0.613	S	S	*	*			trans	-161	38.8	152.9	-124.1	-14.6	0	0	0	113.9	N261 T262	D259-N261 PolarHBondContact O-N 3.39Å; D259-N261 VanDerWaalsContact O-N 3.08Å; D259-T262 HydrophobicContact CB-CG2 4.34Å; D259-T262 PolarHBondContact O-OG1 3.14Å
260	K	42.7	Very low	54.7	Low	193 Å²	193	111.6 Å²	111.6	84%	0.839	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-1.1	-176.8	-72.9	-179.8	177.6	170.7	0	115
261	N	49.1	Very low	57.3	Low	138 Å²	138	108.9 Å²	108.9	74%	0.738	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	24.3	-176.4	-83.9	-4	0	0	0	113.8	D259 S263	D259-N261 PolarHBondContact O-N 3.39Å; D259-N261 VanDerWaalsContact O-N 3.08Å; N261-S263 PolarHBondContact O-N 3.33Å
262	T	60	Low	59.9	Low	72 Å²	72	101.4 Å²	101.4	44%	0.442	52%	0.521	S	S	.	.			trans	-74	96.4	175.4	40.3	0	0	0	0	111.5	D259 Q264	D259-T262 HydrophobicContact CB-CG2 4.34Å; D259-T262 PolarHBondContact O-OG1 3.14Å; T262-Q264 PolarHBondContact O-N 2.75Å
263	S	70.7	Confident	62.4	Low	78 Å²	78	100.4 Å²	100.4	55%	0.545	52%	0.524	S	S	.	.			trans	-61.6	126	171.3	-65.8	0	0	0	0	111	M217 N261	M217-S263 CarbonylContact O-C 3.6Å; M217-S263 WeakPolarHBondContact O-CA 3.15Å; N261-S263 PolarHBondContact O-N 3.33Å
264	Q	80.4	Confident	64.8	Low	100 Å²	100	97.8 Å²	97.8	47%	0.467	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	153.1	179.4	-62.9	179	30.3	0	0	110.5	S216 M217 T262 Y266	S216-Q264 WeakPolarHBondContact CA-O 3.38Å; M217-Q264 PolarHBondContact N-O 2.95Å; M217-Q264 PolarHBondContact O-N 3.21Å; T262-Q264 PolarHBondContact O-N 2.75Å; Q264-Y266 HydrophobicContact CB-CD2 4.39Å; Q264-Y266 HydrophobicContact CB-CE2 3.65Å; Q264-Y266 VanDerWaalsContact O-CD2 3.3Å; Q264-Y266 WeakPolarHBondContact O-CD2 3.39Å
265	Q	83.8	Confident	66.9	Low	148 Å²	148	92.2 Å²	92.2	69%	0.692	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.3	177.3	-70.5	-175.6	-6.6	0	0	110.9	I215	I215-Q265 CarbonylContact O-C 3.46Å; I215-Q265 WeakPolarHBondContact O-CA 3.2Å
266	Y	85.9	Confident	69	Low	41 Å²	41	91.4 Å²	91.4	16%	0.161	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	168.5	177.8	-61.3	-89.2	0	0	0	110.7	P214 I215 M217 A222 I229 Q264	P214-Y266 WeakPolarHBondContact CA-O 3.27Å; I215-Y266 PolarHBondContact N-O 3.01Å; I215-Y266 PolarHBondContact O-N 3.2Å; M217-Y266 HydrophobicContact CG-CD2 3.55Å; M217-Y266 HydrophobicContact CG-CE2 3.71Å; M217-Y266 HydrophobicContact SD-CD2 4.43Å; A222-Y266 HydrophobicContact CB-CD1 4.49Å; A222-Y266 HydrophobicContact CB-CD2 4.4Å; A222-Y266 HydrophobicContact CB-CE1 3.88Å; A222-Y266 HydrophobicContact CB-CE2 3.77Å; A222-Y266 VanDerWaalsContact CB-CZ 3.48Å; I229-Y266 HydrophobicContact CD1-CD1 3.99Å; I229-Y266 HydrophobicContact CD1-CE1 4.45Å; I229-Y266 HydrophobicContact CD1-CG 4.37Å; I229-Y266 HydrophobicContact CG2-CD1 3.89Å; Q264-Y266 HydrophobicContact CB-CD2 4.39Å; Q264-Y266 HydrophobicContact CB-CE2 3.65Å; Q264-Y266 VanDerWaalsContact O-CD2 3.3Å; Q264-Y266 WeakPolarHBondContact O-CD2 3.39Å
267	I	87.8	Confident	71	Confident	44 Å²	44	86.2 Å²	86.2	23%	0.226	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.2	176.3	-60.5	178	0	0	0	108	T212 D230 K269	T212-I267 HydrophobicContact CG2-CG2 3.31Å; D230-I267 PolarHBondContact N-O 3.3Å; D230-I267 VanDerWaalsContact N-O 3.08Å; I267-K269 HydrophobicContact CG2-CG 4.42Å
268	L	88.6	Confident	73.3	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.4	173.4	-58.6	174.1	0	0	0	109.6	I184 T212 L213 I215 M217 L225 F228 I229 F270	I184-L268 HydrophobicContact CD1-CD1 3.82Å; T212-L268 WeakPolarHBondContact CA-O 3.08Å; L213-L268 PolarHBondContact N-O 3.03Å; L213-L268 PolarHBondContact O-N 3.34Å; I215-L268 HydrophobicContact CB-CD1 4.44Å; I215-L268 HydrophobicContact CD1-CD1 3.86Å; I215-L268 HydrophobicContact CG2-CD1 3.88Å; I215-L268 HydrophobicContact CG2-CD2 4.48Å; I215-L268 HydrophobicContact CG2-CG 3.74Å; M217-L268 HydrophobicContact CE-CD1 4.4Å; M217-L268 HydrophobicContact CE-CD2 4.23Å; L225-L268 HydrophobicContact CB-CD2 4.45Å; F228-L268 HydrophobicContact CB-CB 4.36Å; F228-L268 HydrophobicContact CB-CD2 3.7Å; I229-L268 HydrophobicContact CG1-CD2 3.82Å; L268-F270 HydrophobicContact CB-CE1 4.02Å; L268-F270 HydrophobicContact CB-CE2 4.06Å; L268-F270 HydrophobicContact CB-CZ 3.58Å; L268-F270 HydrophobicContact CD1-CE1 4.43Å; L268-F270 HydrophobicContact CD1-CZ 3.8Å; L268-F270 HydrophobicContact CG-CZ 4.32Å
269	K	89.8	Confident	75.4	Confident	56 Å²	56	75.9 Å²	75.9	24%	0.243	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.4	175.5	-68	-165.9	177	176.6	0	111.4	V211 T212 F228 D230 I267	V211-K269 WeakPolarHBondContact O-CA 3.1Å; T212-K269 HydrophobicContact CG2-CG 4.29Å; F228-K269 PolarHBondContact O-N 3.46Å; D230-K269 HydrophobicContact CB-CD 3.7Å; D230-K269 HydrophobicContact CB-CG 4.17Å; D230-K269 WeakPolarHBondContact OD2-CE 3.35Å; D230-K269 IonicContact OD2-NZ 2.65Å; D230-K269 PolarHBondContact OD2-NZ 3.3Å; I267-K269 HydrophobicContact CG2-CG 4.42Å
270	F	88.2	Confident	77	Confident	1 Å²	1	71.8 Å²	71.8	0%	0.004	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.3	-178.4	-46.5	-65.1	0	0	0	109.6	V165 I175 I184 I210 V211 L213 F228 L268 L272	V165-F270 HydrophobicContact CB-CB 4.1Å; V165-F270 HydrophobicContact CG1-CB 4.12Å; V165-F270 HydrophobicContact CG2-CB 4.42Å; V165-F270 HydrophobicContact CG2-CD1 4.19Å; I175-F270 HydrophobicContact CD1-CB 4.43Å; I175-F270 HydrophobicContact CD1-CD1 3.65Å; I175-F270 HydrophobicContact CD1-CD2 3.81Å; I175-F270 HydrophobicContact CD1-CE1 3.69Å; I175-F270 HydrophobicContact CD1-CE2 3.84Å; I175-F270 HydrophobicContact CD1-CG 3.7Å; I175-F270 HydrophobicContact CD1-CZ 3.77Å; I184-F270 HydrophobicContact CD1-CE1 4.09Å; I184-F270 HydrophobicContact CD1-CZ 4.04Å; I210-F270 CarbonylContact C-O 3.52Å; I210-F270 VanDerWaalsContact CA-O 3.31Å; I210-F270 WeakPolarHBondContact CA-O 3.39Å; V211-F270 HydrophobicContact CB-CB 4.44Å; V211-F270 HydrophobicContact CB-CD2 4.27Å; V211-F270 HydrophobicContact CG1-CD2 4.17Å; V211-F270 PolarHBondContact N-O 2.89Å; V211-F270 PolarHBondContact O-N 2.82Å; L213-F270 HydrophobicContact CB-CE2 3.85Å; L213-F270 HydrophobicContact CD2-CE2 3.78Å; L213-F270 HydrophobicContact CD2-CZ 4.22Å; L213-F270 HydrophobicContact CG-CE2 4.49Å; F228-F270 AromaticContact CD1-CD1 3.48Å; F228-F270 HydrophobicContact CD1-CD1 3.48Å; F228-F270 VanDerWaalsContact CD1-CD1 3.48Å; F228-F270 AromaticContact CD1-CE1 3.73Å; F228-F270 HydrophobicContact CD1-CE1 3.73Å; F228-F270 AromaticContact CE1-CD1 3.55Å; F228-F270 HydrophobicContact CE1-CD1 3.55Å; F228-F270 AromaticContact CE1-CE1 3.93Å; F228-F270 HydrophobicContact CE1-CE1 3.93Å; F228-F270 HydrophobicContact CG-CD1 4.25Å; F228-F270 HydrophobicContact CG-CE1 4.04Å; F228-F270 HydrophobicContact CZ-CD1 4.34Å; F228-F270 HydrophobicContact CZ-CE1 4.38Å; L268-F270 HydrophobicContact CB-CE1 4.02Å; L268-F270 HydrophobicContact CB-CE2 4.06Å; L268-F270 HydrophobicContact CB-CZ 3.58Å; L268-F270 HydrophobicContact CD1-CE1 4.43Å; L268-F270 HydrophobicContact CD1-CZ 3.8Å; L268-F270 HydrophobicContact CG-CZ 4.32Å; F270-L272 HydrophobicContact CB-CD1 4.4Å
271	R	90.3	Very high	78.7	Confident	156 Å²	156	62.7 Å²	62.7	59%	0.589	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.1	173.7	-178.5	177.6	177.2	178.9	-0.8	110.3	K166	K166-R271 HydrophobicContact CB-CB 4.39Å; K166-R271 PolarHBondContact N-O 3.45Å; K166-R271 PolarHBondContact O-N 2.79Å
272	L	89.4	Confident	80.1	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.047	29%	0.288	C	S	.	.			trans	-99.2	174.6	175.3	-66.9	87.3	0	0	0	110.3	V163 V165 S209 V211 F270 I277 A278 L281	V163-L272 HydrophobicContact CG1-CD2 3.85Å; V165-L272 HydrophobicContact CG1-CD1 4.24Å; V165-L272 HydrophobicContact CG1-CG 4.12Å; S209-L272 WeakPolarHBondContact CB-O 3.13Å; S209-L272 PolarHBondContact O-N 3.33Å; V211-L272 HydrophobicContact CB-CD1 4.35Å; V211-L272 HydrophobicContact CG2-CD1 3.79Å; F270-L272 HydrophobicContact CB-CD1 4.4Å; L272-I277 HydrophobicContact CD2-CB 4.13Å; L272-I277 HydrophobicContact CD2-CG2 3.6Å; L272-A278 HydrophobicContact CB-CB 4.46Å; L272-A278 HydrophobicContact CD1-CB 4.11Å; L272-L281 HydrophobicContact CD1-CD2 4.15Å; L272-L281 HydrophobicContact CD2-CB 4.46Å; L272-L281 HydrophobicContact CD2-CD2 3.99Å
273	S	85.2	Confident	80.5	Confident	108 Å²	108	56 Å²	56	76%	0.755	28%	0.283	S	S	*	.	S	Bend	trans	-64.7	-52.5	175.3	45.4	0	0	0	0	111.9
274	D	80.7	Confident	80.5	Confident	69 Å²	69	52.5 Å²	52.5	37%	0.369	26%	0.258	S	S	.	.	S	Bend	trans	-124	153.2	-177.6	178.7	38.6	0	0	0	113.4	K276 I277 A278	D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.47Å; D274-K276 WeakPolarHBondContact OD2-CB 3.36Å; D274-K276 VanDerWaalsContact OD2-CD 3.32Å; D274-K276 WeakPolarHBondContact OD2-CD 3.49Å; D274-K276 WeakPolarHBondContact OD2-CG 3.23Å; D274-K276 PolarHBondContact OD2-N 3.38Å; D274-I277 HydrophobicContact CB-CG1 4.41Å; D274-I277 PolarHBondContact O-N 3.42Å; D274-A278 PolarHBondContact O-N 2.86Å; D274-A278 VanDerWaalsContact O-N 3.15Å
275	A	78.9	Confident	80.5	Confident	26 Å²	26	47.8 Å²	47.8	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-32.7	175.6	0	0	0	0	0	113.5	R208 I277 A278 Q279	R208-A275 VanDerWaalsContact C-CB 3.46Å; R208-A275 WeakPolarHBondContact O-CA 3.35Å; A275-I277 VanDerWaalsContact C-N 3.34Å; A275-I277 PolarHBondContact O-N 3.2Å; A275-A278 PolarHBondContact O-N 3.26Å; A275-Q279 WeakPolarHBondContact O-CB 3.41Å; A275-Q279 VanDerWaalsContact O-CG 3.23Å; A275-Q279 WeakPolarHBondContact O-CG 3.38Å; A275-Q279 PolarHBondContact O-N 3.4Å
276	K	73	Confident	80	Confident	73 Å²	73	43.9 Å²	43.9	32%	0.317	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-43.6	174.8	-59.9	173.9	-169.4	-172.4	0	111.5	N47 D274 Q279 R280	N47-K276 HydrophobicContact CB-CD 4.34Å; N47-K276 PolarHBondContact ND2-NZ 2.81Å; N47-K276 WeakPolarHBondContact O-CD 3.38Å; N47-K276 PolarHBondContact O-NZ 3.44Å; D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.47Å; D274-K276 WeakPolarHBondContact OD2-CB 3.36Å; D274-K276 VanDerWaalsContact OD2-CD 3.32Å; D274-K276 WeakPolarHBondContact OD2-CD 3.49Å; D274-K276 WeakPolarHBondContact OD2-CG 3.23Å; D274-K276 PolarHBondContact OD2-N 3.38Å; K276-Q279 PolarHBondContact O-N 2.96Å; K276-R280 WeakPolarHBondContact O-CB 3.16Å; K276-R280 PolarHBondContact O-N 3.27Å
277	I	74.4	Confident	79	Confident	66 Å²	66	43.5 Å²	43.5	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-40.5	-177.6	-48.6	-178.3	0	0	0	109.6	L272 D274 A275 R280 L281	L272-I277 HydrophobicContact CD2-CB 4.13Å; L272-I277 HydrophobicContact CD2-CG2 3.6Å; D274-I277 HydrophobicContact CB-CG1 4.41Å; D274-I277 PolarHBondContact O-N 3.42Å; A275-I277 VanDerWaalsContact C-N 3.34Å; A275-I277 PolarHBondContact O-N 3.2Å; I277-R280 PolarHBondContact O-N 3.04Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 PolarHBondContact O-N 2.95Å
278	A	78.6	Confident	78	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-46.7	171.9	0	0	0	0	0	112.7	A206 R208 V211 L272 D274 A275 L281 A282	A206-A278 HydrophobicContact CB-CB 4.36Å; R208-A278 WeakPolarHBondContact O-CB 3.36Å; V211-A278 HydrophobicContact CG2-CB 3.75Å; V211-A278 VanDerWaalsContact CG2-O 3.22Å; V211-A278 WeakPolarHBondContact CG2-O 3.45Å; L272-A278 HydrophobicContact CB-CB 4.46Å; L272-A278 HydrophobicContact CD1-CB 4.11Å; D274-A278 PolarHBondContact O-N 2.86Å; D274-A278 VanDerWaalsContact O-N 3.15Å; A275-A278 PolarHBondContact O-N 3.26Å; A278-L281 PolarHBondContact O-N 2.96Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.1Å
279	Q	72.1	Confident	77.3	Confident	90 Å²	90	41.6 Å²	41.6	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-42.8	176.5	-74.2	171.6	5.9	0	0	112.2	A206 A275 K276 L283	A206-Q279 HydrophobicContact CB-CG 4.07Å; A275-Q279 WeakPolarHBondContact O-CB 3.41Å; A275-Q279 VanDerWaalsContact O-CG 3.23Å; A275-Q279 WeakPolarHBondContact O-CG 3.38Å; A275-Q279 PolarHBondContact O-N 3.4Å; K276-Q279 PolarHBondContact O-N 2.96Å; Q279-L283 WeakPolarHBondContact O-CB 3.12Å; Q279-L283 PolarHBondContact O-N 3.05Å
280	R	68.2	Low	76.2	Confident	39 Å²	39	41.2 Å²	41.2	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-48.2	175.2	173.8	175.1	160.7	-164.7	-3.6	111.7	D51 F54 K276 I277 L283 Q284	D51-R280 IonicContact OD2-CZ 2.95Å; D51-R280 IonicContact OD2-NH1 3.88Å; D51-R280 PolarHBondContact OD2-NH1 3.04Å; D51-R280 IonicContact OD2-NH2 3.09Å; D51-R280 PolarHBondContact OD2-NH2 3.39Å; F54-R280 VanDerWaalsContact CD1-NH2 3.29Å; F54-R280 VanDerWaalsContact CE1-NH2 3.34Å; F54-R280 VanDerWaalsContact CZ-NH2 3.3Å; K276-R280 WeakPolarHBondContact O-CB 3.16Å; K276-R280 PolarHBondContact O-N 3.27Å; I277-R280 PolarHBondContact O-N 3.04Å; R280-L283 PolarHBondContact O-N 3.28Å; R280-Q284 WeakPolarHBondContact O-CG 3.39Å; R280-Q284 PolarHBondContact O-N 2.73Å
281	L	77.8	Confident	74.9	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-47.6	177.7	177.6	62	0	0	0	111.4	V163 I177 V211 L272 I277 A278 L283 Q284 L285	V163-L281 HydrophobicContact CG1-CD2 4.31Å; V163-L281 HydrophobicContact CG2-CD1 4.36Å; I177-L281 HydrophobicContact CD1-CD1 3.58Å; V211-L281 HydrophobicContact CG2-CB 4.42Å; V211-L281 HydrophobicContact CG2-CD2 4.23Å; L272-L281 HydrophobicContact CD1-CD2 4.15Å; L272-L281 HydrophobicContact CD2-CB 4.46Å; L272-L281 HydrophobicContact CD2-CD2 3.99Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 PolarHBondContact O-N 2.95Å; A278-L281 PolarHBondContact O-N 2.96Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.91Å; L281-Q284 PolarHBondContact O-N 3.48Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CG 4.18Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 2.97Å
282	A	79.4	Confident	73.5	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-39.5	177.7	0	0	0	0	0	112.4	A204 A206 V211 A278 Y286	A204-A282 HydrophobicContact CB-CB 4.22Å; A206-A282 HydrophobicContact CB-CB 3.76Å; V211-A282 HydrophobicContact CG1-CB 4.3Å; V211-A282 HydrophobicContact CG2-CB 4.36Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.1Å; A282-Y286 WeakPolarHBondContact O-CB 3.45Å; A282-Y286 PolarHBondContact O-N 2.79Å
283	L	67.7	Low	71.9	Confident	64 Å²	64	39.9 Å²	39.9	34%	0.335	21%	0.209	S	C	.	.	H	α-helix	trans	-64.5	-43.7	174.8	-178.6	62.3	0	0	0	111.8	F55 Q279 R280 L281 Y286 T287	F55-L283 HydrophobicContact CZ-CD2 4.47Å; Q279-L283 WeakPolarHBondContact O-CB 3.12Å; Q279-L283 PolarHBondContact O-N 3.05Å; R280-L283 PolarHBondContact O-N 3.28Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.91Å; L283-Y286 PolarHBondContact O-N 3.28Å; L283-T287 PolarHBondContact O-N 3.41Å; L283-T287 PolarHBondContact O-OG1 3.4Å; L283-T287 VanDerWaalsContact O-OG1 3.1Å
284	Q	71.5	Confident	70.1	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-51.9	176.6	-71.1	-173.3	-87.9	0	0	111.4	P68 R280 L281 Y286 T287 I288	P68-Q284 HydrophobicContact CB-CG 4.21Å; P68-Q284 HydrophobicContact CG-CG 4.22Å; R280-Q284 WeakPolarHBondContact O-CG 3.39Å; R280-Q284 PolarHBondContact O-N 2.73Å; L281-Q284 PolarHBondContact O-N 3.48Å; Q284-Y286 PolarHBondContact O-N 3.21Å; Q284-T287 PolarHBondContact O-N 3.24Å; Q284-I288 VanDerWaalsContact O-CG1 3.3Å; Q284-I288 WeakPolarHBondContact O-CG1 3.47Å; Q284-I288 PolarHBondContact O-N 2.79Å
285	L	78.6	Confident	68.7	Low	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-47	177.6	-69.6	171.4	0	0	0	111.7	I177 L182 W198 A204 L213 L281 T287 I288 C289	I177-L285 HydrophobicContact CD1-CD2 3.65Å; I177-L285 HydrophobicContact CD1-CG 4.06Å; I177-L285 HydrophobicContact CG1-CD2 3.91Å; L182-L285 HydrophobicContact CD1-CD2 3.77Å; W198-L285 HydrophobicContact CH2-CD2 4.16Å; W198-L285 HydrophobicContact CZ3-CD2 4.02Å; A204-L285 HydrophobicContact CB-CB 3.64Å; A204-L285 HydrophobicContact CB-CD1 4.01Å; A204-L285 HydrophobicContact CB-CG 4.49Å; L213-L285 HydrophobicContact CD2-CD1 4.38Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CG 4.18Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 2.97Å; L285-T287 PolarHBondContact O-N 3.49Å; L285-I288 PolarHBondContact O-N 3.26Å; L285-C289 WeakPolarHBondContact O-CB 3Å; L285-C289 PolarHBondContact O-N 3.09Å; L285-C289 PolarHBondContact O-SG 2.9Å; L285-C289 VanDerWaalsContact O-SG 3.4Å
286	Y	73.6	Confident	67.1	Low	66 Å²	66	39.4 Å²	39.4	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-56.4	-46.8	176.6	175.7	-89.8	0	0	0	111.9	N203 A282 L283 Q284 N290 F326	N203-Y286 HydrophobicContact CB-CD2 4.08Å; N203-Y286 HydrophobicContact CB-CE2 4.37Å; N203-Y286 WeakPolarHBondContact OD1-CD2 3.32Å; N203-Y286 WeakPolarHBondContact OD1-CE2 3.48Å; A282-Y286 WeakPolarHBondContact O-CB 3.45Å; A282-Y286 PolarHBondContact O-N 2.79Å; L283-Y286 PolarHBondContact O-N 3.28Å; Q284-Y286 PolarHBondContact O-N 3.21Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.11Å; Y286-N290 VanDerWaalsContact CE2-ND2 3.32Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.41Å; Y286-N290 WeakPolarHBondContact O-CB 3.16Å; Y286-N290 PolarHBondContact O-N 2.76Å; Y286-N290 VanDerWaalsContact O-N 3.13Å; Y286-N290 PolarHBondContact O-ND2 3.44Å; Y286-F326 HydrophobicContact CE1-CE2 4.29Å
287	T	64.8	Low	65.7	Low	33 Å²	33	40.3 Å²	40.3	20%	0.202	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-36.5	179.7	-56.8	0	0	0	0	112.5	V67 P68 L283 Q284 L285 R291	V67-T287 HydrophobicContact CG1-CG2 4.14Å; P68-T287 HydrophobicContact CG-CG2 4.19Å; L283-T287 PolarHBondContact O-N 3.41Å; L283-T287 PolarHBondContact O-OG1 3.4Å; L283-T287 VanDerWaalsContact O-OG1 3.1Å; Q284-T287 PolarHBondContact O-N 3.24Å; L285-T287 PolarHBondContact O-N 3.49Å; T287-R291 VanDerWaalsContact O-CB 3.31Å; T287-R291 WeakPolarHBondContact O-CB 3.3Å; T287-R291 PolarHBondContact O-N 2.76Å
288	I	68.3	Low	64.2	Low	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-51.4	179.1	-62.6	163.8	0	0	0	110.7	F70 I177 W198 Q284 L285 N290 R291 V292	F70-I288 HydrophobicContact CD2-CG1 4.22Å; F70-I288 HydrophobicContact CD2-CG2 3.82Å; F70-I288 HydrophobicContact CE2-CG2 3.84Å; I177-I288 HydrophobicContact CG2-CD1 3.71Å; W198-I288 HydrophobicContact CD2-CG2 3.58Å; W198-I288 HydrophobicContact CE3-CB 4.39Å; W198-I288 HydrophobicContact CE3-CG2 3.67Å; W198-I288 HydrophobicContact CG-CG2 4.32Å; W198-I288 HydrophobicContact CH2-CB 4.3Å; W198-I288 HydrophobicContact CH2-CD1 4.18Å; W198-I288 HydrophobicContact CH2-CG2 3.78Å; W198-I288 HydrophobicContact CZ2-CD1 4.45Å; W198-I288 HydrophobicContact CZ2-CG2 3.65Å; W198-I288 HydrophobicContact CZ3-CB 4.17Å; W198-I288 HydrophobicContact CZ3-CG2 3.77Å; Q284-I288 VanDerWaalsContact O-CG1 3.3Å; Q284-I288 WeakPolarHBondContact O-CG1 3.47Å; Q284-I288 PolarHBondContact O-N 2.79Å; L285-I288 PolarHBondContact O-N 3.26Å; I288-N290 PolarHBondContact O-N 2.73Å; I288-R291 WeakPolarHBondContact O-CB 3.31Å; I288-R291 PolarHBondContact O-N 3.38Å; I288-V292 HydrophobicContact CG2-CG2 4Å; I288-V292 PolarHBondContact O-N 2.77Å
289	C	71.9	Confident	62.4	Low	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-55.1	-49.4	177	-68	0	0	0	0	111.7	L285 R291 V292 I293	L285-C289 WeakPolarHBondContact O-CB 3Å; L285-C289 PolarHBondContact O-N 3.09Å; L285-C289 PolarHBondContact O-SG 2.9Å; L285-C289 VanDerWaalsContact O-SG 3.4Å; C289-R291 PolarHBondContact O-N 3.23Å; C289-R291 VanDerWaalsContact O-N 3.16Å; C289-V292 PolarHBondContact O-N 3.49Å; C289-I293 HydrophobicContact CB-CD1 4.29Å; C289-I293 VanDerWaalsContact O-CB 3.28Å; C289-I293 WeakPolarHBondContact O-CB 3.42Å; C289-I293 WeakPolarHBondContact O-CD1 3.16Å; C289-I293 VanDerWaalsContact O-CG1 3.22Å; C289-I293 WeakPolarHBondContact O-CG1 3.38Å; C289-I293 PolarHBondContact O-N 2.74Å
290	N	66.7	Low	60.7	Low	47 Å²	47	50.3 Å²	50.3	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-70.5	-7.8	179.2	-73.6	-80	0	0	0	114.7	N203 Y286 I288 K294	N203-N290 PolarHBondContact OD1-ND2 3.21Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.11Å; Y286-N290 VanDerWaalsContact CE2-ND2 3.32Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.41Å; Y286-N290 WeakPolarHBondContact O-CB 3.16Å; Y286-N290 PolarHBondContact O-N 2.76Å; Y286-N290 VanDerWaalsContact O-N 3.13Å; Y286-N290 PolarHBondContact O-ND2 3.44Å; I288-N290 PolarHBondContact O-N 2.73Å; N290-K294 WeakPolarHBondContact O-CD 3.41Å; N290-K294 WeakPolarHBondContact O-CE 3.41Å; N290-K294 WeakPolarHBondContact O-CG 3.34Å
291	R	62.9	Low	58.8	Low	57 Å²	57	53.8 Å²	53.8	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-92.8	-58.3	170.6	-179.3	178.9	177.6	170.9	2	110.6	T287 I288 C289 I293 K294 E295	T287-R291 VanDerWaalsContact O-CB 3.31Å; T287-R291 WeakPolarHBondContact O-CB 3.3Å; T287-R291 PolarHBondContact O-N 2.76Å; I288-R291 WeakPolarHBondContact O-CB 3.31Å; I288-R291 PolarHBondContact O-N 3.38Å; C289-R291 PolarHBondContact O-N 3.23Å; C289-R291 VanDerWaalsContact O-N 3.16Å; R291-I293 VanDerWaalsContact C-N 3.33Å; R291-I293 PolarHBondContact O-N 2.89Å; R291-K294 WeakPolarHBondContact O-CB 3.3Å; R291-K294 PolarHBondContact O-N 2.82Å; R291-E295 WeakPolarHBondContact CG-OE1 3.33Å; R291-E295 IonicContact CZ-OE1 2.73Å; R291-E295 IonicContact NE-OE1 3.09Å; R291-E295 PolarHBondContact NE-OE1 3.23Å; R291-E295 IonicContact NH2-OE1 3.21Å; R291-E295 PolarHBondContact NH2-OE1 3.21Å; R291-E295 PolarHBondContact O-N 3.33Å
292	V	59.6	Low	56.3	Low	26 Å²	26	59.9 Å²	59.9	16%	0.158	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-39.6	-174	-178.3	0	0	0	0	111.5	F70 W198 I288 C289 K294 E295 S296	F70-V292 HydrophobicContact CE1-CG2 4.44Å; F70-V292 HydrophobicContact CE2-CG2 3.77Å; F70-V292 HydrophobicContact CZ-CG2 3.6Å; W198-V292 HydrophobicContact CB-CB 3.88Å; W198-V292 HydrophobicContact CB-CG1 3.68Å; W198-V292 HydrophobicContact CB-CG2 4.29Å; W198-V292 HydrophobicContact CG-CB 4.22Å; W198-V292 HydrophobicContact CG-CG1 4.16Å; W198-V292 HydrophobicContact CG-CG2 4.07Å; I288-V292 HydrophobicContact CG2-CG2 4Å; I288-V292 PolarHBondContact O-N 2.77Å; C289-V292 PolarHBondContact O-N 3.49Å; V292-K294 PolarHBondContact O-N 3.08Å; V292-E295 PolarHBondContact O-N 2.77Å; V292-S296 PolarHBondContact O-N 2.82Å; V292-S296 PolarHBondContact O-OG 3.24Å
293	I	56.4	Low	53.7	Low	56 Å²	56	70.4 Å²	70.4	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-65.8	-25.5	177.3	-62.9	169.1	0	0	0	112	C289 R291 S296 N297	C289-I293 HydrophobicContact CB-CD1 4.29Å; C289-I293 VanDerWaalsContact O-CB 3.28Å; C289-I293 WeakPolarHBondContact O-CB 3.42Å; C289-I293 WeakPolarHBondContact O-CD1 3.16Å; C289-I293 VanDerWaalsContact O-CG1 3.22Å; C289-I293 WeakPolarHBondContact O-CG1 3.38Å; C289-I293 PolarHBondContact O-N 2.74Å; R291-I293 VanDerWaalsContact C-N 3.33Å; R291-I293 PolarHBondContact O-N 2.89Å; I293-S296 WeakPolarHBondContact CA-OG 3.31Å; I293-S296 PolarHBondContact O-OG 3.42Å; I293-N297 VanDerWaalsContact O-CB 3.31Å; I293-N297 WeakPolarHBondContact O-CB 3.22Å; I293-N297 PolarHBondContact O-N 2.86Å; I293-N297 PolarHBondContact O-ND2 3.37Å; I293-N297 PolarHBondContact O-OD1 2.96Å
294	K	47.5	Very low	51.7	Low	101 Å²	101	73.9 Å²	73.9	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-79.4	-40.6	173.2	-68	179	-171.8	168	0	111.9	N290 R291 V292 S296 N297 N298	N290-K294 WeakPolarHBondContact O-CD 3.41Å; N290-K294 WeakPolarHBondContact O-CE 3.41Å; N290-K294 WeakPolarHBondContact O-CG 3.34Å; R291-K294 WeakPolarHBondContact O-CB 3.3Å; R291-K294 PolarHBondContact O-N 2.82Å; V292-K294 PolarHBondContact O-N 3.08Å; K294-S296 VanDerWaalsContact C-N 3.31Å; K294-S296 PolarHBondContact O-N 2.78Å; K294-N297 PolarHBondContact O-N 2.9Å; K294-N298 PolarHBondContact O-N 2.83Å; K294-N298 VanDerWaalsContact O-N 3.12Å
295	E	50.2	Low	49.6	Very low	70 Å²	70	81.4 Å²	81.4	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-63.4	-36.8	176.3	-67.6	178	-165.5	0	0	110.9	R291 V292 N299	R291-E295 WeakPolarHBondContact CG-OE1 3.33Å; R291-E295 IonicContact CZ-OE1 2.73Å; R291-E295 IonicContact NE-OE1 3.09Å; R291-E295 PolarHBondContact NE-OE1 3.23Å; R291-E295 IonicContact NH2-OE1 3.21Å; R291-E295 PolarHBondContact NH2-OE1 3.21Å; R291-E295 PolarHBondContact O-N 3.33Å; V292-E295 PolarHBondContact O-N 2.77Å; E295-N299 PolarHBondContact O-ND2 2.86Å
296	S	46.4	Very low	47	Very low	22 Å²	22	91 Å²	91	15%	0.154	45%	0.448	C	S	.	.	H	α-helix	trans	-69.2	-43.1	172.1	61.2	0	0	0	0	113.7	V292 I293 K294 N298 N299 N300	V292-S296 PolarHBondContact O-N 2.82Å; V292-S296 PolarHBondContact O-OG 3.24Å; I293-S296 WeakPolarHBondContact CA-OG 3.31Å; I293-S296 PolarHBondContact O-OG 3.42Å; K294-S296 VanDerWaalsContact C-N 3.31Å; K294-S296 PolarHBondContact O-N 2.78Å; S296-N298 PolarHBondContact O-N 2.83Å; S296-N299 PolarHBondContact O-N 2.94Å; S296-N300 PolarHBondContact O-N 2.97Å
297	N	43.9	Very low	44.7	Very low	91 Å²	91	91.3 Å²	91.3	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-72.1	-28.6	-173.7	-70.7	-0.2	0	0	0	113.2	I293 K294	I293-N297 VanDerWaalsContact O-CB 3.31Å; I293-N297 WeakPolarHBondContact O-CB 3.22Å; I293-N297 PolarHBondContact O-N 2.86Å; I293-N297 PolarHBondContact O-ND2 3.37Å; I293-N297 PolarHBondContact O-OD1 2.96Å; K294-N297 PolarHBondContact O-N 2.9Å
298	N	42.8	Very low	43	Very low	116 Å²	116	97.8 Å²	97.8	62%	0.62	49%	0.493	S	S	*	.	H	α-helix	trans	-69.7	-38.9	174.5	-76.2	-4	0	0	0	112.3	K294 S296 N300	K294-N298 PolarHBondContact O-N 2.83Å; K294-N298 VanDerWaalsContact O-N 3.12Å; S296-N298 PolarHBondContact O-N 2.83Å; N298-N300 PolarHBondContact O-N 2.85Å
299	N	40.5	Very low	41.3	Very low	118 Å²	118	104.4 Å²	104.4	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-72	-29	-175.7	-70.7	-14.2	0	0	0	113.2	E295 S296 N301 T302	E295-N299 PolarHBondContact O-ND2 2.86Å; S296-N299 PolarHBondContact O-N 2.94Å; N299-N301 VanDerWaalsContact C-N 3.33Å; N299-N301 PolarHBondContact O-N 3.39Å; N299-T302 PolarHBondContact O-OG1 3.03Å
300	N	35.9	Very low	39.4	Very low	133 Å²	133	113.4 Å²	113.4	71%	0.711	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-8.4	-178.2	-70.7	-11.4	0	0	0	114.5	S296 N298	S296-N300 PolarHBondContact O-N 2.97Å; N298-N300 PolarHBondContact O-N 2.85Å
301	N	28.7	Very low	37.6	Very low	112 Å²	112	120.6 Å²	120.6	60%	0.599	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	17.8	-174.9	-89.7	-8.7	0	0	0	115	N299 R303	N299-N301 VanDerWaalsContact C-N 3.33Å; N299-N301 PolarHBondContact O-N 3.39Å; N301-R303 PolarHBondContact O-N 2.82Å
302	T	26	Very low	36.1	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	41.4	175.9	48.2	0	0	0	0	114.1	N299	N299-T302 PolarHBondContact O-OG1 3.03Å
303	R	24.1	Very low	34.7	Very low	228 Å²	228	135 Å²	135	86%	0.86	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	30.8	168.3	-145.4	-171.6	-178.7	-175.3	0.5	116.1	N301	N301-R303 PolarHBondContact O-N 2.82Å
304	I	26.3	Very low	33.5	Very low	138 Å²	138	139.2 Å²	139.2	71%	0.708	70%	0.699	S	S	*	*			trans	-80	131.5	161.5	-60.2	-178.3	0	0	0	108.1
305	Q	26.3	Very low	32.9	Very low	160 Å²	160	139.2 Å²	139.2	75%	0.748	70%	0.704	S	S	*	*			trans	-77.4	133.1	-173.5	-68.5	169	-38.2	0	0	111.1	S307	Q305-S307 PolarHBondContact O-N 2.91Å
306	H	23.5	Very low	32.2	Very low	203 Å²	203	145.3 Å²	145.3	94%	0.94	73%	0.729	S	S	*	*			trans	-73.8	101.9	158.2	-86.8	-82	0	0	0	108.3
307	S	26.5	Very low	31.6	Very low	72 Å²	72	149 Å²	149	50%	0.503	75%	0.747	S	S	.	*			trans	-159.3	103.3	170.5	54.4	0	0	0	0	110.6	Q305	Q305-S307 PolarHBondContact O-N 2.91Å
308	D	28.3	Very low	31.2	Very low	169 Å²	169	148.7 Å²	148.7	90%	0.904	75%	0.749	S	S	*	*			trans	43.5	78.7	147.6	-47.5	-18.4	0	0	0	117.6
309	V	34	Very low	30.8	Very low	144 Å²	144	148.2 Å²	148.2	87%	0.873	75%	0.75	S	S	*	*			trans	-131.7	147.9	155.2	-176.2	0	0	0	0	107.8
310	E	30.3	Very low	30.6	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	74%	0.741	S	S	*	*			trans	-76.8	172.6	-157.1	-56.9	-175.7	143.9	0	0	115.7	E312	E310-E312 PolarHBondContact O-N 2.89Å
311	E	29.4	Very low	30.5	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	72%	0.72	S	S	*	*			trans	-73.3	85.7	-177.6	-63.6	-178.6	128.4	0	0	112.9
312	E	32	Very low	30.8	Very low	194 Å²	194	141.2 Å²	141.2	91%	0.907	72%	0.721	S	S	*	*			trans	-86.8	102	156.5	-77.1	-164.5	135.8	0	0	110.7	E310 D314	E310-E312 PolarHBondContact O-N 2.89Å; E312-D314 VanDerWaalsContact C-N 3.34Å; E312-D314 PolarHBondContact O-N 3.48Å
313	E	30.2	Very low	31.2	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	70%	0.697	S	S	*	*			trans	-71	81.7	164.2	-73	-160.6	118.6	0	0	111.2
314	D	30.3	Very low	31.9	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	68%	0.678	S	S	*	*			trans	174.8	85.3	143	-101.6	-26.6	0	0	0	114.4	E312	E312-D314 VanDerWaalsContact C-N 3.34Å; E312-D314 PolarHBondContact O-N 3.48Å
315	D	35.2	Very low	32.6	Very low	101 Å²	101	132.7 Å²	132.7	54%	0.54	68%	0.678	S	S	.	*			trans	-157.3	46	145.5	-144.7	-13.1	0	0	0	117.1	N317 T318	D315-N317 PolarHBondContact O-N 2.94Å; D315-N317 PolarHBondContact OD1-N 3.25Å; D315-T318 PolarHBondContact O-OG1 3.18Å; D315-T318 PolarHBondContact OD1-N 3Å
316	K	35.1	Very low	33.2	Very low	199 Å²	199	128.9 Å²	128.9	87%	0.865	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	9.3	164.2	-75.8	171.2	-178.5	156.6	0	113.1
317	N	34.1	Very low	34	Very low	99 Å²	99	122 Å²	122	53%	0.529	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.3	-3.5	-170.1	-69.8	-41.1	0	0	0	113.9	D315 G321	D315-N317 PolarHBondContact O-N 2.94Å; D315-N317 PolarHBondContact OD1-N 3.25Å; N317-G321 WeakPolarHBondContact O-CA 3.5Å; N317-G321 PolarHBondContact O-N 3.28Å
318	T	35.6	Very low	34.9	Very low	84 Å²	84	126.7 Å²	126.7	52%	0.515	64%	0.636	S	S	.	*	H	α-helix	trans	-69.9	-51	178.7	29.1	0	0	0	0	113.7	D315 G321 M322	D315-T318 PolarHBondContact O-OG1 3.18Å; D315-T318 PolarHBondContact OD1-N 3Å; T318-G321 PolarHBondContact O-N 3.4Å; T318-M322 WeakPolarHBondContact O-CG 3.37Å; T318-M322 PolarHBondContact O-N 2.9Å
319	T	34.7	Very low	35.6	Very low	107 Å²	107	124.6 Å²	124.6	66%	0.656	62%	0.621	S	S	*	*	H	α-helix	trans	-67.6	-47.1	177.4	43.5	0	0	0	0	111.9	G321 M322 L323	T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 3.4Å; T319-M322 PolarHBondContact O-N 3.01Å; T319-L323 PolarHBondContact O-N 3.37Å; T319-L323 VanDerWaalsContact O-N 3.11Å
320	S	35.9	Very low	36	Very low	62 Å²	62	121.4 Å²	121.4	43%	0.434	60%	0.595	S	S	.	*	H	α-helix	trans	-56.1	-43.9	170.8	176.4	0	0	0	0	111.4	L323 T324	S320-L323 PolarHBondContact O-N 2.76Å; S320-T324 WeakPolarHBondContact O-CA 3.47Å; S320-T324 WeakPolarHBondContact O-CB 3.4Å; S320-T324 PolarHBondContact O-N 2.75Å; S320-T324 PolarHBondContact O-OG1 3.13Å
321	G	33.9	Very low	36.5	Very low	26 Å²	26	116 Å²	116	27%	0.268	58%	0.577	S	S	.	*	H	α-helix	trans	-70.7	-31.4	-178.4	0	0	0	0	0	113.9	N317 T318 T319 R325	N317-G321 WeakPolarHBondContact O-CA 3.5Å; N317-G321 PolarHBondContact O-N 3.28Å; T318-G321 PolarHBondContact O-N 3.4Å; T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 3.4Å; G321-R325 WeakPolarHBondContact O-CB 3.33Å; G321-R325 VanDerWaalsContact O-CG 3.28Å; G321-R325 WeakPolarHBondContact O-CG 3.44Å; G321-R325 PolarHBondContact O-N 2.88Å
322	M	34.2	Very low	37	Very low	128 Å²	128	109.4 Å²	109.4	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-73.1	-40.4	171.3	-73.6	-162.6	82.4	0	0	112.2	T318 T319 R325 F326	T318-M322 WeakPolarHBondContact O-CG 3.37Å; T318-M322 PolarHBondContact O-N 2.9Å; T319-M322 PolarHBondContact O-N 3.01Å; M322-R325 PolarHBondContact O-N 3.33Å; M322-F326 PolarHBondContact O-N 2.78Å
323	L	36.1	Very low	37.3	Very low	52 Å²	52	103.8 Å²	103.8	27%	0.272	53%	0.527	S	S	.	.	H	α-helix	trans	-72.3	-35.1	175.9	-168	58.6	0	0	0	111.5	E63 T319 S320 F326 N327	E63-L323 WeakPolarHBondContact OE2-CD2 3.15Å; T319-L323 PolarHBondContact O-N 3.37Å; T319-L323 VanDerWaalsContact O-N 3.11Å; S320-L323 PolarHBondContact O-N 2.76Å; L323-F326 HydrophobicContact CD1-CD1 4.28Å; L323-F326 WeakPolarHBondContact O-CB 3.4Å; L323-F326 PolarHBondContact O-N 2.79Å; L323-N327 WeakPolarHBondContact O-CB 3.35Å; L323-N327 PolarHBondContact O-N 3.11Å
324	T	38.1	Very low	37.5	Very low	78 Å²	78	96.4 Å²	96.4	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-35.8	169.3	-61.5	0	0	0	0	111.3	S320 R328	S320-T324 WeakPolarHBondContact O-CA 3.47Å; S320-T324 WeakPolarHBondContact O-CB 3.4Å; S320-T324 PolarHBondContact O-N 2.75Å; S320-T324 PolarHBondContact O-OG1 3.13Å; T324-R328 WeakPolarHBondContact O-CA 3.21Å; T324-R328 WeakPolarHBondContact O-CB 3.32Å; T324-R328 PolarHBondContact O-N 3.38Å
325	R	40.4	Very low	37.7	Very low	186 Å²	186	97.9 Å²	97.9	70%	0.702	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-39.7	169.4	-87.7	-176.9	179.3	-167.8	3.2	111.7	G321 M322 R328 Q329	G321-R325 WeakPolarHBondContact O-CB 3.33Å; G321-R325 VanDerWaalsContact O-CG 3.28Å; G321-R325 WeakPolarHBondContact O-CG 3.44Å; G321-R325 PolarHBondContact O-N 2.88Å; M322-R325 PolarHBondContact O-N 3.33Å; R325-R328 PolarHBondContact O-N 3.37Å; R325-Q329 VanDerWaalsContact O-CB 3.28Å; R325-Q329 WeakPolarHBondContact O-CB 3.18Å; R325-Q329 WeakPolarHBondContact O-CG 3.34Å; R325-Q329 PolarHBondContact O-N 3.43Å
326	F	39.2	Very low	37.7	Very low	80 Å²	80	97.5 Å²	97.5	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-55	173.3	171.9	-98.6	0	0	0	110.7	Y286 M322 L323 R328 Q329 F330	Y286-F326 HydrophobicContact CE1-CE2 4.29Å; M322-F326 PolarHBondContact O-N 2.78Å; L323-F326 HydrophobicContact CD1-CD1 4.28Å; L323-F326 WeakPolarHBondContact O-CB 3.4Å; L323-F326 PolarHBondContact O-N 2.79Å; F326-R328 PolarHBondContact O-N 2.89Å; F326-Q329 PolarHBondContact O-N 2.7Å; F326-F330 HydrophobicContact CZ-CD2 4.38Å; F326-F330 WeakPolarHBondContact O-CB 3.28Å; F326-F330 PolarHBondContact O-N 3.37Å
327	N	41.1	Very low	37.7	Very low	57 Å²	57	93.7 Å²	93.7	31%	0.305	48%	0.475	S	S	.	.	H	α-helix	trans	-58.9	-34.5	177.6	-74.4	-20.1	0	0	0	111.8	L323 C331	L323-N327 WeakPolarHBondContact O-CB 3.35Å; L323-N327 PolarHBondContact O-N 3.11Å; N327-C331 WeakPolarHBondContact O-CB 3.22Å; N327-C331 PolarHBondContact O-N 3.15Å; N327-C331 PolarHBondContact O-SG 3.04Å
328	R	44.1	Very low	37.5	Very low	172 Å²	172	91.1 Å²	91.1	65%	0.649	47%	0.465	S	S	*	.	H	α-helix	trans	-75	-43.6	174.7	-177.8	174.2	174.5	179.9	-0.9	113.3	T324 R325 F326 F330 C331 D332	T324-R328 WeakPolarHBondContact O-CA 3.21Å; T324-R328 WeakPolarHBondContact O-CB 3.32Å; T324-R328 PolarHBondContact O-N 3.38Å; R325-R328 PolarHBondContact O-N 3.37Å; F326-R328 PolarHBondContact O-N 2.89Å; R328-F330 VanDerWaalsContact C-N 3.31Å; R328-C331 PolarHBondContact O-N 3.07Å; R328-D332 WeakPolarHBondContact CG-OD2 3.12Å; R328-D332 IonicContact NE-OD2 3.9Å; R328-D332 PolarHBondContact NE-OD2 2.75Å; R328-D332 VanDerWaalsContact O-CB 3.29Å; R328-D332 WeakPolarHBondContact O-CB 3.28Å; R328-D332 PolarHBondContact O-N 3.29Å
329	Q	43.6	Very low	37.2	Very low	124 Å²	124	96 Å²	96	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-64.6	-39.5	174.5	-79	-176.9	-43	0	0	110.9	R325 F326 T333	R325-Q329 VanDerWaalsContact O-CB 3.28Å; R325-Q329 WeakPolarHBondContact O-CB 3.18Å; R325-Q329 WeakPolarHBondContact O-CG 3.34Å; R325-Q329 PolarHBondContact O-N 3.43Å; F326-Q329 PolarHBondContact O-N 2.7Å; Q329-T333 WeakPolarHBondContact O-CB 3.46Å; Q329-T333 PolarHBondContact O-N 2.8Å; Q329-T333 PolarHBondContact O-OG1 3.14Å
330	F	42.2	Very low	36.8	Very low	78 Å²	78	96.2 Å²	96.2	34%	0.342	48%	0.477	S	S	.	.	H	α-helix	trans	-58	-56.8	169.3	-172.4	-89.1	0	0	0	109.7	F326 R328 D332 T333 F334	F326-F330 HydrophobicContact CZ-CD2 4.38Å; F326-F330 WeakPolarHBondContact O-CB 3.28Å; F326-F330 PolarHBondContact O-N 3.37Å; R328-F330 VanDerWaalsContact C-N 3.31Å; F330-D332 PolarHBondContact O-N 3.38Å; F330-T333 PolarHBondContact O-N 3.45Å; F330-F334 AromaticContact CD1-CD2 3.92Å; F330-F334 HydrophobicContact CD1-CD2 3.92Å; F330-F334 HydrophobicContact CD1-CE2 4.15Å; F330-F334 HydrophobicContact CD2-CD2 4.27Å; F330-F334 AromaticContact CD2-CE2 3.95Å; F330-F334 HydrophobicContact CD2-CE2 3.95Å; F330-F334 AromaticContact CE1-CD2 3.83Å; F330-F334 HydrophobicContact CE1-CD2 3.83Å; F330-F334 AromaticContact CE1-CE2 3.73Å; F330-F334 HydrophobicContact CE1-CE2 3.73Å; F330-F334 HydrophobicContact CE1-CG 4.4Å; F330-F334 HydrophobicContact CE1-CZ 4.21Å; F330-F334 HydrophobicContact CE2-CD2 4.2Å; F330-F334 AromaticContact CE2-CE2 3.5Å; F330-F334 HydrophobicContact CE2-CE2 3.5Å; F330-F334 HydrophobicContact CE2-CZ 4.17Å; F330-F334 HydrophobicContact CG-CD2 4.13Å; F330-F334 HydrophobicContact CG-CE2 4.25Å; F330-F334 AromaticContact CZ-CD2 3.98Å; F330-F334 HydrophobicContact CZ-CD2 3.98Å; F330-F334 AromaticContact CZ-CE2 3.38Å; F330-F334 HydrophobicContact CZ-CE2 3.38Å; F330-F334 AromaticContact CZ-CZ 3.74Å; F330-F334 HydrophobicContact CZ-CZ 3.74Å; F330-F334 WeakPolarHBondContact O-CB 3.36Å; F330-F334 VanDerWaalsContact O-CD2 3.29Å; F330-F334 WeakPolarHBondContact O-CD2 3.47Å; F330-F334 PolarHBondContact O-N 3.32Å
331	C	40.5	Very low	36.5	Very low	75 Å²	75	101.9 Å²	101.9	51%	0.507	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-42.9	179.5	-74.7	0	0	0	0	113.4	N327 R328 F334 R335	N327-C331 WeakPolarHBondContact O-CB 3.22Å; N327-C331 PolarHBondContact O-N 3.15Å; N327-C331 PolarHBondContact O-SG 3.04Å; R328-C331 PolarHBondContact O-N 3.07Å; C331-F334 CarbonylContact O-C 3.55Å; C331-F334 PolarHBondContact O-N 2.69Å; C331-R335 WeakPolarHBondContact O-CA 3.35Å; C331-R335 WeakPolarHBondContact O-CB 3.47Å; C331-R335 PolarHBondContact O-N 3.47Å
332	D	39.7	Very low	36.2	Very low	59 Å²	59	106.8 Å²	106.8	32%	0.316	51%	0.514	S	S	.	.	H	α-helix	trans	-71.8	-37.3	-179.3	-77.5	-34.3	0	0	0	111.3	R328 F330 R335 C336	R328-D332 WeakPolarHBondContact CG-OD2 3.12Å; R328-D332 IonicContact NE-OD2 3.9Å; R328-D332 PolarHBondContact NE-OD2 2.75Å; R328-D332 VanDerWaalsContact O-CB 3.29Å; R328-D332 WeakPolarHBondContact O-CB 3.28Å; R328-D332 PolarHBondContact O-N 3.29Å; F330-D332 PolarHBondContact O-N 3.38Å; D332-R335 WeakPolarHBondContact O-CB 3.44Å; D332-R335 PolarHBondContact O-N 2.96Å; D332-C336 PolarHBondContact O-N 3.47Å; D332-C336 PolarHBondContact O-SG 2.98Å
333	T	38.3	Very low	36	Very low	76 Å²	76	108.2 Å²	108.2	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-49.2	168.9	-62.2	0	0	0	0	110.7	Q329 F330 R335 C336 F337	Q329-T333 WeakPolarHBondContact O-CB 3.46Å; Q329-T333 PolarHBondContact O-N 2.8Å; Q329-T333 PolarHBondContact O-OG1 3.14Å; F330-T333 PolarHBondContact O-N 3.45Å; T333-R335 PolarHBondContact O-N 3.15Å; T333-C336 WeakPolarHBondContact O-CB 3.4Å; T333-C336 PolarHBondContact O-N 2.83Å; T333-F337 HydrophobicContact CG2-CD2 4.21Å; T333-F337 HydrophobicContact CG2-CE2 3.73Å; T333-F337 WeakPolarHBondContact O-CD2 3.14Å; T333-F337 PolarHBondContact O-N 2.86Å
334	F	36.2	Very low	35.6	Very low	37 Å²	37	114.4 Å²	114.4	16%	0.162	55%	0.546	C	S	.	.	H	α-helix	trans	-63.8	-26.6	173.6	-89.5	-100.7	0	0	0	112.6	V42 F330 C331 F337 S338	V42-F334 HydrophobicContact CG1-CE1 4.46Å; V42-F334 HydrophobicContact CG1-CZ 4.21Å; V42-F334 HydrophobicContact CG2-CE1 3.92Å; V42-F334 HydrophobicContact CG2-CZ 4.22Å; F330-F334 AromaticContact CD1-CD2 3.92Å; F330-F334 HydrophobicContact CD1-CD2 3.92Å; F330-F334 HydrophobicContact CD1-CE2 4.15Å; F330-F334 HydrophobicContact CD2-CD2 4.27Å; F330-F334 AromaticContact CD2-CE2 3.95Å; F330-F334 HydrophobicContact CD2-CE2 3.95Å; F330-F334 AromaticContact CE1-CD2 3.83Å; F330-F334 HydrophobicContact CE1-CD2 3.83Å; F330-F334 AromaticContact CE1-CE2 3.73Å; F330-F334 HydrophobicContact CE1-CE2 3.73Å; F330-F334 HydrophobicContact CE1-CG 4.4Å; F330-F334 HydrophobicContact CE1-CZ 4.21Å; F330-F334 HydrophobicContact CE2-CD2 4.2Å; F330-F334 AromaticContact CE2-CE2 3.5Å; F330-F334 HydrophobicContact CE2-CE2 3.5Å; F330-F334 HydrophobicContact CE2-CZ 4.17Å; F330-F334 HydrophobicContact CG-CD2 4.13Å; F330-F334 HydrophobicContact CG-CE2 4.25Å; F330-F334 AromaticContact CZ-CD2 3.98Å; F330-F334 HydrophobicContact CZ-CD2 3.98Å; F330-F334 AromaticContact CZ-CE2 3.38Å; F330-F334 HydrophobicContact CZ-CE2 3.38Å; F330-F334 AromaticContact CZ-CZ 3.74Å; F330-F334 HydrophobicContact CZ-CZ 3.74Å; F330-F334 WeakPolarHBondContact O-CB 3.36Å; F330-F334 VanDerWaalsContact O-CD2 3.29Å; F330-F334 WeakPolarHBondContact O-CD2 3.47Å; F330-F334 PolarHBondContact O-N 3.32Å; C331-F334 CarbonylContact O-C 3.55Å; C331-F334 PolarHBondContact O-N 2.69Å; F334-F337 CarbonylContact O-C 3.53Å; F334-F337 PolarHBondContact O-N 2.86Å; F334-S338 WeakPolarHBondContact O-CA 3.16Å; F334-S338 WeakPolarHBondContact O-CB 3.39Å; F334-S338 PolarHBondContact O-N 2.85Å; F334-S338 PolarHBondContact O-OG 3.09Å
335	R	33.3	Very low	35.2	Very low	175 Å²	175	114.7 Å²	114.7	66%	0.66	55%	0.551	S	S	*	*	H	α-helix	trans	-75.6	-34.3	177.4	-164.5	175	-167.9	-179.5	4.5	111.4	C331 D332 T333 F337 S338 R339	C331-R335 WeakPolarHBondContact O-CA 3.35Å; C331-R335 WeakPolarHBondContact O-CB 3.47Å; C331-R335 PolarHBondContact O-N 3.47Å; D332-R335 WeakPolarHBondContact O-CB 3.44Å; D332-R335 PolarHBondContact O-N 2.96Å; T333-R335 PolarHBondContact O-N 3.15Å; R335-F337 VanDerWaalsContact C-N 3.32Å; R335-S338 PolarHBondContact O-N 2.9Å; R335-R339 PolarHBondContact O-N 2.91Å; R335-R339 VanDerWaalsContact O-N 3.1Å
336	C	36	Very low	34.7	Very low	93 Å²	93	116 Å²	116	63%	0.628	56%	0.561	S	S	*	*	H	α-helix	trans	-60.4	-40.9	166.8	-71.5	0	0	0	0	111.6	D332 T333	D332-C336 PolarHBondContact O-N 3.47Å; D332-C336 PolarHBondContact O-SG 2.98Å; T333-C336 WeakPolarHBondContact O-CB 3.4Å; T333-C336 PolarHBondContact O-N 2.83Å
337	F	34.4	Very low	34.3	Very low	120 Å²	120	118 Å²	118	53%	0.526	58%	0.575	S	S	.	*	H	α-helix	trans	-78.3	-20.1	172.9	-61.9	-59.8	0	0	0	114.5	R45 T333 F334 R335	R45-F337 PolarHBondContact NH1-O 3.35Å; T333-F337 HydrophobicContact CG2-CD2 4.21Å; T333-F337 HydrophobicContact CG2-CE2 3.73Å; T333-F337 WeakPolarHBondContact O-CD2 3.14Å; T333-F337 PolarHBondContact O-N 2.86Å; F334-F337 CarbonylContact O-C 3.53Å; F334-F337 PolarHBondContact O-N 2.86Å; R335-F337 VanDerWaalsContact C-N 3.32Å
338	S	30.5	Very low	33.7	Very low	44 Å²	44	120.8 Å²	120.8	31%	0.308	60%	0.599	S	S	.	*	H	α-helix	trans	-92	-9.9	-177.2	-63.1	0	0	0	0	114.2	Y41 F334 R335	Y41-S338 PolarHBondContact OH-OG 2.98Å; F334-S338 WeakPolarHBondContact O-CA 3.16Å; F334-S338 WeakPolarHBondContact O-CB 3.39Å; F334-S338 PolarHBondContact O-N 2.85Å; F334-S338 PolarHBondContact O-OG 3.09Å; R335-S338 PolarHBondContact O-N 2.9Å
339	R	28.2	Very low	33.1	Very low	187 Å²	187	121.8 Å²	121.8	71%	0.706	61%	0.608	S	S	*	*	S	Bend	trans	-54.3	128.3	160	-69.6	-175.9	-176.9	-151.3	0.2	107.7	R335 F341	R335-R339 PolarHBondContact O-N 2.91Å; R335-R339 VanDerWaalsContact O-N 3.1Å; R339-F341 PolarHBondContact O-N 2.9Å
340	P	28.1	Very low	32.5	Very low	111 Å²	111	126.8 Å²	126.8	72%	0.721	62%	0.622	S	S	*	*			trans	-59.4	136.1	172.5	25.5	-32.9	0	0	0	108.1	N342	P340-N342 PolarHBondContact O-N 3.43Å
341	F	29.3	Very low	31.8	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.794	65%	0.647	S	S	*	*			trans	-66.2	79.2	164.2	-85.5	-87.4	0	0	0	108.1	R339 M343	R339-F341 PolarHBondContact O-N 2.9Å; F341-M343 PolarHBondContact O-N 3.13Å
342	N	27.3	Very low	31.3	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	66%	0.66	S	S	*	*			trans	-73.7	68.2	168.1	-165.8	-12.8	0	0	0	107.5	P340 K344	P340-N342 PolarHBondContact O-N 3.43Å; N342-K344 PolarHBondContact O-N 3.06Å
343	M	28.6	Very low	30.6	Very low	159 Å²	159	138.2 Å²	138.2	78%	0.783	69%	0.687	S	S	*	*			trans	-61.1	88.1	161.9	-70.1	-177.2	81.5	0	0	106.2	F341 S345	F341-M343 PolarHBondContact O-N 3.13Å; M343-S345 PolarHBondContact O-N 3.35Å
344	K	27.8	Very low	30.2	Very low	182 Å²	182	139.6 Å²	139.6	79%	0.791	70%	0.7	S	S	*	*			trans	-55.7	93.6	158.7	-79.8	-170	174.7	-175.7	0	106.1	N342 K346	N342-K344 PolarHBondContact O-N 3.06Å; K344-K346 PolarHBondContact O-N 3.5Å
345	S	29.7	Very low	29.9	Very low	83 Å²	83	144 Å²	144	58%	0.58	73%	0.73	S	S	*	*			trans	-58.4	108.4	-174.9	-179.3	0	0	0	0	108.7	M343 I347	M343-S345 PolarHBondContact O-N 3.35Å; S345-I347 PolarHBondContact O-N 3.16Å; S345-I347 WeakPolarHBondContact OG-CD1 3.37Å; S345-I347 VanDerWaalsContact OG-CG1 3.31Å; S345-I347 WeakPolarHBondContact OG-CG1 3.44Å
346	K	29.9	Very low	29.7	Very low	213 Å²	213	143 Å²	143	93%	0.926	74%	0.737	S	S	*	*			trans	-75.4	46	169.1	-75.2	-167.6	174.1	-174.8	0	110.5	K344 S348	K344-K346 PolarHBondContact O-N 3.5Å; K346-S348 PolarHBondContact O-N 2.93Å
347	I	31.1	Very low	29.5	Very low	123 Å²	123	147.1 Å²	147.1	63%	0.631	75%	0.752	S	S	*	*			trans	-60.9	122.5	155.7	-78.4	166.4	0	0	0	106.3	S345 K349	S345-I347 PolarHBondContact O-N 3.16Å; S345-I347 WeakPolarHBondContact OG-CD1 3.37Å; S345-I347 VanDerWaalsContact OG-CG1 3.31Å; S345-I347 WeakPolarHBondContact OG-CG1 3.44Å; I347-K349 PolarHBondContact O-N 3.48Å; I347-K349 VanDerWaalsContact O-N 3.07Å
348	S	28.5	Very low	29.2	Very low	116 Å²	116	148 Å²	148	81%	0.811	76%	0.762	S	S	*	*			trans	-58.6	112.8	177.5	-175.8	0	0	0	0	110	K346	K346-S348 PolarHBondContact O-N 2.93Å
349	K	32.3	Very low	29.3	Very low	192 Å²	192	150.5 Å²	150.5	84%	0.835	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-102	118.9	171.4	-75.3	-166.3	174	-172.4	0	109.2	I347	I347-K349 PolarHBondContact O-N 3.48Å; I347-K349 VanDerWaalsContact O-N 3.07Å
350	R	30.7	Very low	29.3	Very low	230 Å²	230	148 Å²	148	87%	0.868	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53.6	147.6	178.2	-60.3	169.6	174.6	162.8	-5	111.4	P352	R350-P352 WeakPolarHBondContact O-CD 3.45Å
351	K	28.2	Very low	29.4	Very low	202 Å²	202	148.2 Å²	148.2	88%	0.878	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.2	127.8	147.1	-88.1	-171	172.3	-174.8	0	108.2
352	P	29.3	Very low	29.3	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.6	160.3	158.4	-10.7	28.8	0	0	0	110.4	R350	R350-P352 WeakPolarHBondContact O-CD 3.45Å
353	C	24.7	Very low	29.5	Very low	130 Å²	130	144.1 Å²	144.1	88%	0.878	77%	0.771	S	S	*	*			trans	-109.4	123.9	175	-68.7	0	0	0	0	111.4
354	S	29.4	Very low	29.6	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	77%	0.768	S	S	*	*			trans	-175.7	141	162.7	51.8	0	0	0	0	107.6
355	T	30.6	Very low	29.7	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	76%	0.759	S	S	*	*			cis	-152.9	169.2	5.2	-8.8	0	0	0	0	111.2
356	L	28.2	Very low	29.8	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	76%	0.764	S	S	*	*			trans	-24	140.8	169.4	-83.7	59.5	0	0	0	117.2
357	L	31.9	Very low	29.9	Very low	179 Å²	179	137.5 Å²	137.5	94%	0.937	75%	0.751	S	S	*	*				-148.8	140.3	108.2	-103.6	165.1	0	0	0	110.2
358	D	29.2	Very low	29.9	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	75%	0.75	S	S	*	*			trans	-94.9	177.8	-175.6	-139.2	22.4	0	0	0	109.4
359	P	31.8	Very low	30	Very low	95 Å²	95	137.1 Å²	137.1	62%	0.617	74%	0.741	S	S	*	*			cis	-140.8	167.6	2.3	42.6	-24.7	0	0	0	118.3
360	N	28.6	Very low	30.1	Very low	134 Å²	134	133.6 Å²	133.6	72%	0.717	73%	0.73	S	S	*	*			trans	68.9	149.9	141.7	-82.1	-32	0	0	0	123.9
361	T	29.6	Very low	30.2	Very low	116 Å²	116	129 Å²	129	71%	0.712	72%	0.722	S	S	*	*			trans	62.9	105.9	156.1	44.9	0	0	0	0	117.5
362	T	28.7	Very low	30.5	Very low	122 Å²	122	124.9 Å²	124.9	75%	0.748	71%	0.71	S	S	*	*				62.7	145.3	93.3	48.6	0	0	0	0	115.1
363	T	30.8	Very low	30.8	Very low	102 Å²	102	124.9 Å²	124.9	63%	0.626	70%	0.703	S	S	*	*			cis	-159.7	156.1	21.7	-10.5	0	0	0	0	109.7
364	Q	30.3	Very low	31.2	Very low	154 Å²	154	124.4 Å²	124.4	72%	0.72	69%	0.692	S	S	*	*			trans	63.9	162	146.9	-71.8	174.3	-71	0	0	118.1
365	D	30.9	Very low	31.3	Very low	111 Å²	111	125.6 Å²	125.6	59%	0.594	69%	0.689	S	S	*	*			cis	-138.8	147.4	-9.3	-110.9	-21	0	0	0	106.2
366	V	32.2	Very low	31.1	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.685	69%	0.689	S	S	*	*				53.8	117.2	79.1	-177.9	0	0	0	0	109.1
367	N	31.1	Very low	30.9	Very low	121 Å²	121	124.7 Å²	124.7	65%	0.647	69%	0.688	S	S	*	*			cis	-166.8	173.5	33.3	-145.7	-11.7	0	0	0	112
368	N	31.9	Very low	30.8	Very low	116 Å²	116	120.1 Å²	120.1	62%	0.62	67%	0.671	S	S	*	*			trans	48.5	143.9	135	-79.4	-10.4	0	0	0	121.4
369	N	30.7	Very low	30.7	Very low	115 Å²	115	118.7 Å²	118.7	62%	0.615	66%	0.662	S	S	*	*			cis	-171.6	-179.5	8.3	-134.2	-23	0	0	0	113.3
370	I	33.9	Very low	30.4	Very low	117 Å²	117	119 Å²	119	60%	0.6	66%	0.662	S	S	*	*			trans	63.2	100.6	140.5	-73.8	161.7	0	0	0	117
371	N	33.2	Very low	30.3	Very low	133 Å²	133	115.9 Å²	115.9	71%	0.711	65%	0.648	S	S	*	*				71.8	159.9	122.9	-59.5	5.6	0	0	0	118.4
372	N	33.7	Very low	30.3	Very low	117 Å²	117	115.2 Å²	115.2	63%	0.626	64%	0.636	S	S	*	*			cis	-147.4	155.7	7.8	-138.2	6.1	0	0	0	111.7
373	N	36.1	Very low	30.5	Very low	118 Å²	118	113.7 Å²	113.7	63%	0.631	63%	0.629	S	S	*	*			trans	67.4	139.7	158.1	-54.8	-18.1	0	0	0	117.5
374	N	33.3	Very low	30.4	Very low	121 Å²	121	114.4 Å²	114.4	65%	0.647	64%	0.638	S	S	*	*			cis	-166.4	151	-10.1	-111.7	-12.9	0	0	0	110.4
375	I	30.1	Very low	30.3	Very low	130 Å²	130	111.6 Å²	111.6	67%	0.667	64%	0.636	S	S	*	*			trans	51.6	127.5	132.3	-60.7	170.4	0	0	0	117.7
376	E	28	Very low	30.2	Very low	172 Å²	172	114.1 Å²	114.1	80%	0.804	65%	0.647	S	S	*	*			cis	-161.4	172	1.9	-122.7	176.7	145	0	0	109.7
377	A	24.1	Very low	30	Very low	94 Å²	94	113.8 Å²	113.8	78%	0.777	65%	0.65	S	S	*	*			trans	-144.1	122.4	168.3	0	0	0	0	0	112.4
378	S	28.4	Very low	29.8	Very low	83 Å²	83	114.2 Å²	114.2	58%	0.58	65%	0.652	S	S	*	*			trans	-162.8	164.2	175.7	56.9	0	0	0	0	112.2
379	I	26.7	Very low	29.7	Very low	109 Å²	109	114.4 Å²	114.4	56%	0.559	66%	0.66	S	S	*	*				-165.7	167.1	-72.3	-99.8	173	0	0	0	110.7	Y943 N944 K945	I379-Y943 VanDerWaalsContact CG2-O 3.29Å; I379-Y943 WeakPolarHBondContact CG2-O 3.49Å; I379-Y943 CarbonylContact O-C 3.59Å; I379-N944 PolarHBondContact N-O 3.07Å; I379-N944 VanDerWaalsContact N-O 3.08Å; I379-N944 CarbonylContact O-C 3.59Å; I379-N944 WeakPolarHBondContact O-CA 3.43Å; I379-N944 PolarHBondContact O-N 2.93Å; I379-K945 PolarHBondContact O-N 2.86Å; I379-K945 VanDerWaalsContact O-N 3.12Å
380	T	26.7	Very low	29.7	Very low	100 Å²	100	114 Å²	114	61%	0.613	66%	0.661	S	S	*	*			trans	-46.7	130.6	-166.2	-51.7	0	0	0	0	119	Q382 Y943	T380-Q382 HydrophobicContact CG2-CB 4.44Å; T380-Q382 HydrophobicContact CG2-CG 4.38Å; T380-Y943 WeakPolarHBondContact O-CA 3.32Å; T380-Y943 PolarHBondContact O-N 3.07Å
381	V	26.3	Very low	29.4	Very low	70 Å²	70	115 Å²	115	42%	0.424	67%	0.667	S	S	.	*			trans	-129.5	118.7	163.1	136	0	0	0	0	106.2	Y943 N944	V381-Y943 HydrophobicContact CG2-CD1 3.36Å; V381-Y943 HydrophobicContact CG2-CE1 4Å; V381-Y943 HydrophobicContact CG2-CG 4Å; V381-N944 HydrophobicContact CG2-CB 4.49Å; V381-N944 WeakPolarHBondContact CG2-OD1 3.49Å
382	Q	28.9	Very low	29.1	Very low	101 Å²	101	115.3 Å²	115.3	47%	0.472	67%	0.668	S	S	.	*			cis	74.9	152.6	12.7	-105.5	-154.4	-0.8	0	0	116.9	T380 Y943	T380-Q382 HydrophobicContact CG2-CB 4.44Å; T380-Q382 HydrophobicContact CG2-CG 4.38Å; Q382-Y943 HydrophobicContact CB-CE1 4.21Å
383	P	33.7	Very low	28.8	Very low	90 Å²	90	114.8 Å²	114.8	58%	0.584	67%	0.669	S	S	*	*			cis	-98.9	-179.7	-15.3	-1.7	25.8	0	0	0	112.2
384	S	29.3	Very low	28.4	Very low	117 Å²	117	115.2 Å²	115.2	82%	0.818	67%	0.672	S	S	*	*			cis	-144.3	142	28.4	45.2	0	0	0	0	114.1
385	S	26.7	Very low	28.2	Very low	96 Å²	96	115.8 Å²	115.8	67%	0.671	68%	0.675	S	S	*	*			trans	-108.9	135.3	164.9	49.3	0	0	0	0	108.7
386	I	29	Very low	28.3	Very low	163 Å²	163	115.9 Å²	115.9	84%	0.836	68%	0.677	S	S	*	*			trans	-119	108.3	153.3	-64	-178.1	0	0	0	106.8
387	S	27.5	Very low	28.3	Very low	106 Å²	106	114 Å²	114	74%	0.741	68%	0.677	S	S	*	*			trans	-85.2	132.3	160.8	50.3	0	0	0	0	108.5
388	D	27.9	Very low	28.3	Very low	130 Å²	130	117 Å²	117	70%	0.695	68%	0.679	S	S	*	*			trans	-143.1	112.2	163.2	-142.9	-21	0	0	0	110.7	T390	D388-T390 PolarHBondContact O-N 3.35Å
389	P	30.2	Very low	28.2	Very low	121 Å²	121	117.6 Å²	117.6	79%	0.786	68%	0.681	S	S	*	*			trans	-96.6	82	-173.6	36.3	-32.6	0	0	0	112
390	T	29.5	Very low	28.1	Very low	105 Å²	105	118.7 Å²	118.7	64%	0.644	69%	0.686	S	S	*	*			trans	-137.3	147.5	173.7	62.5	0	0	0	0	111.3	D388	D388-T390 PolarHBondContact O-N 3.35Å
391	L	27.4	Very low	28	Very low	139 Å²	139	119.1 Å²	119.1	73%	0.728	69%	0.693	S	S	*	*			cis	-159.8	-178.1	-12.8	-108.2	167.4	0	0	0	105.9
392	L	27.4	Very low	27.9	Very low	139 Å²	139	121.7 Å²	121.7	73%	0.728	71%	0.709	S	S	*	*			trans	20.2	129.4	145.1	-55	165.9	0	0	0	117.9
393	T	27.9	Very low	27.9	Very low	106 Å²	106	122.3 Å²	122.3	65%	0.65	72%	0.72	S	S	*	*			cis	-169.7	162.3	20.1	-2	0	0	0	0	110.6
394	D	28.3	Very low	27.5	Very low	128 Å²	128	123.1 Å²	123.1	68%	0.684	73%	0.728	S	S	*	*			trans	-0.5	126.5	133.5	-44.4	-26.1	0	0	0	115.9
395	N	29.1	Very low	27.6	Very low	132 Å²	132	124.3 Å²	124.3	71%	0.706	72%	0.724	S	S	*	*				-167.9	156.9	85.6	-103.4	-81.2	0	0	0	113.9
396	N	31.8	Very low	27.6	Very low	132 Å²	132	125.2 Å²	125.2	71%	0.706	73%	0.727	S	S	*	*			trans	-13.6	143.7	142.3	-52.9	-67.4	0	0	0	114.7
397	V	27.8	Very low	27.3	Very low	133 Å²	133	122.9 Å²	122.9	81%	0.806	72%	0.721	S	S	*	*				-146.2	119.8	51.2	168.4	0	0	0	0	112.7
398	L	24.1	Very low	27.1	Very low	157 Å²	157	123.9 Å²	123.9	82%	0.822	72%	0.723	S	S	*	*			trans	-79.5	163.2	145.2	-84.2	110.3	0	0	0	109.1
399	P	26.4	Very low	26.9	Very low	96 Å²	96	121.6 Å²	121.6	62%	0.623	72%	0.717	S	S	*	*			cis	-131.4	-107.5	-39	33.9	-14.2	0	0	0	108.1
400	I	24.2	Very low	26.7	Very low	131 Å²	131	122 Å²	122	67%	0.672	72%	0.717	S	S	*	*			trans	64.8	102.2	164.2	-66.9	159.7	0	0	0	113.8
401	S	24	Very low	26.4	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	72%	0.72	S	S	*	*			cis	66.3	78.7	49.8	-44.9	0	0	0	0	114.8
402	T	24.9	Very low	26.1	Very low	124 Å²	124	125.1 Å²	125.1	76%	0.761	73%	0.726	S	S	*	*			trans	-147.7	100.5	149.3	27.5	0	0	0	0	108.1
403	T	28.5	Very low	26	Very low	115 Å²	115	124.5 Å²	124.5	71%	0.706	73%	0.728	S	S	*	*				66.6	86.7	88.9	61.5	0	0	0	0	115
404	S	24.7	Very low	26	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	73%	0.732	S	S	*	*			trans	-146.7	122	134.6	60.5	0	0	0	0	108.9
405	I	31.9	Very low	25.9	Very low	142 Å²	142	124.4 Å²	124.4	73%	0.728	74%	0.736	S	S	*	*			cis	49.7	91.8	11.2	-50.3	-179.3	0	0	0	111.1
406	P	26.1	Very low	25.9	Very low	114 Å²	114	123 Å²	123	74%	0.74	74%	0.737	S	S	*	*				-106.4	157.7	89.7	-19	35.1	0	0	0	116.1
407	T	24.4	Very low	25.6	Very low	114 Å²	114	124.2 Å²	124.2	70%	0.699	74%	0.741	S	S	*	*			trans	-27	141.1	139.4	50.7	0	0	0	0	113.2
408	T	23.4	Very low	25.7	Very low	127 Å²	127	122.6 Å²	122.6	78%	0.779	74%	0.736	S	S	*	*				-119.8	137.1	72.8	33.7	0	0	0	0	113.2
409	S	23.4	Very low	25.9	Very low	83 Å²	83	119.9 Å²	119.9	58%	0.58	73%	0.73	S	S	*	*				56.4	106.1	87.1	-41.5	0	0	0	0	111.1
410	V	25.4	Very low	26	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	74%	0.739	S	S	*	*	S	Bend		56.8	100.5	78.6	-179.7	0	0	0	0	110.8
411	T	22.4	Very low	26.3	Very low	115 Å²	115	122.1 Å²	122.1	71%	0.706	75%	0.748	S	S	*	*	S	Bend	trans	60.2	80.4	151.3	-44.8	0	0	0	0	116.8
412	F	22.8	Very low	26.5	Very low	195 Å²	195	120.3 Å²	120.3	86%	0.855	75%	0.746	S	S	*	*			trans	66.1	-177.8	169.4	-69.7	-96.7	0	0	0	116
413	V	24.2	Very low	26.6	Very low	126 Å²	126	120.4 Å²	120.4	76%	0.764	75%	0.751	S	S	*	*			trans	82.2	84.5	165.9	-163.7	0	0	0	0	118.6
414	T	27.7	Very low	26.5	Very low	122 Å²	122	120.5 Å²	120.5	75%	0.748	75%	0.751	S	S	*	*			trans	35.3	127.8	137.4	54.5	0	0	0	0	124.7
415	S	27.1	Very low	26.6	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	76%	0.757	S	S	*	*				97.1	118.1	129.6	69.1	0	0	0	0	125.4
416	S	28.1	Very low	26.3	Very low	103 Å²	103	120.8 Å²	120.8	72%	0.72	76%	0.755	S	S	*	*			trans	74.1	121.5	135.7	41.4	0	0	0	0	128.3
417	I	26.3	Very low	26.3	Very low	157 Å²	157	124.8 Å²	124.8	81%	0.805	76%	0.761	S	S	*	*				96.6	110.1	128.2	-66.1	168.6	0	0	0	124.8
418	S	30	Very low	26.4	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	76%	0.758	S	S	*	*			trans	56.2	133	137.3	81.5	0	0	0	0	130.6
419	S	27.3	Very low	26.8	Very low	100 Å²	100	122.4 Å²	122.4	70%	0.699	75%	0.753	S	S	*	*				98.2	125.3	120.5	61.6	0	0	0	0	127.3
420	N	28.8	Very low	27.1	Very low	152 Å²	152	124.1 Å²	124.1	81%	0.813	76%	0.76	S	S	*	*			trans	101	124.7	131.9	-81.2	5.5	0	0	0	127.2
421	S	31.1	Very low	27.3	Very low	123 Å²	123	125.3 Å²	125.3	86%	0.86	76%	0.757	S	S	*	*			trans	65.8	150.9	145.2	59.7	0	0	0	0	122.3
422	G	28.3	Very low	27.7	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	75%	0.752	S	S	*	*			cis	166.5	169.1	-7.9	0	0	0	0	0	115.4
423	C	26.5	Very low	27.9	Very low	126 Å²	126	122.5 Å²	122.5	85%	0.851	75%	0.746	S	S	*	*			trans	68.1	133.2	175.6	-118	0	0	0	0	118
424	V	25.7	Very low	28.2	Very low	118 Å²	118	122.6 Å²	122.6	72%	0.715	75%	0.747	S	S	*	*			cis	91.3	120.8	9.5	-171.4	0	0	0	0	117.9	V426	V424-V426 HydrophobicContact CG1-CG2 4.42Å
425	T	27.7	Very low	28.4	Very low	142 Å²	142	123.3 Å²	123.3	87%	0.871	75%	0.747	S	S	*	*			trans	-154.1	149.3	149.5	-57.3	0	0	0	0	109.8
426	V	24.7	Very low	28.5	Very low	113 Å²	113	124.9 Å²	124.9	69%	0.685	75%	0.746	S	S	*	*			trans	-143.9	145.8	-169.3	174.9	0	0	0	0	112	V424	V424-V426 HydrophobicContact CG1-CG2 4.42Å
427	K	26.9	Very low	28.6	Very low	198 Å²	198	127 Å²	127	86%	0.861	75%	0.745	S	S	*	*			trans	-150.7	127.1	155.8	-65.7	-168.9	-178.8	-178.4	0	106.6
428	S	27	Very low	28.9	Very low	93 Å²	93	126.5 Å²	126.5	65%	0.65	74%	0.744	S	S	*	*			cis	72.1	141.1	16.3	121.8	0	0	0	0	114.2
429	S	31.7	Very low	29	Very low	97 Å²	97	127.7 Å²	127.7	68%	0.678	74%	0.742	S	S	*	*			cis	-167.6	-145.5	1.8	33.4	0	0	0	0	108.8
430	V	29.9	Very low	29	Very low	120 Å²	120	131.5 Å²	131.5	73%	0.727	75%	0.746	S	S	*	*			trans	79.7	129.5	165	-166.4	0	0	0	0	113.7
431	H	29.5	Very low	29	Very low	154 Å²	154	130.9 Å²	130.9	71%	0.713	74%	0.743	S	S	*	*			cis	-142.1	176.7	-10.6	-108	-57.7	0	0	0	105.5
432	D	29.8	Very low	28.8	Very low	112 Å²	112	137.2 Å²	137.2	60%	0.599	75%	0.748	S	S	*	*			cis	-151.7	154.7	0.5	-109.7	-33.8	0	0	0	106.8
433	N	27.5	Very low	28.7	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	75%	0.749	S	S	*	*				73.6	154.3	71.4	-75.2	-31.7	0	0	0	117.8
434	V	31.3	Very low	28.6	Very low	128 Å²	128	143.6 Å²	143.6	78%	0.776	75%	0.75	S	S	*	*			trans	73.9	130.7	-172	-172.2	0	0	0	0	114.1
435	D	31.7	Very low	28.6	Very low	138 Å²	138	143.5 Å²	143.5	74%	0.738	75%	0.754	S	S	*	*			cis	-179	170.6	-26.6	-89.5	-17.2	0	0	0	104.2
436	D	29.2	Very low	28.6	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	75%	0.746	S	S	*	*			cis	-152.2	-178.9	-47.7	-163.9	0.5	0	0	0	106.2
437	E	30.4	Very low	28.8	Very low	147 Å²	147	145.4 Å²	145.4	69%	0.687	76%	0.757	S	S	*	*			trans	25.5	115.8	165.2	-56.7	-148.4	127.1	0	0	119.9
438	N	31.8	Very low	28.9	Very low	148 Å²	148	146 Å²	146	79%	0.791	76%	0.756	S	S	*	*				-160.9	154.3	104.6	-112.4	-81.8	0	0	0	115.6
439	L	31.4	Very low	28.9	Very low	124 Å²	124	146.6 Å²	146.6	65%	0.649	76%	0.76	S	S	*	*			trans	-51.2	134.2	-171.6	-76.8	82.1	0	0	0	114.6
440	K	28.1	Very low	28.7	Very low	179 Å²	179	146.9 Å²	146.9	78%	0.778	76%	0.762	S	S	*	*				62.2	139.8	79.3	-70.2	178.4	177.2	168.8	0	115.1
441	N	28.7	Very low	28.7	Very low	140 Å²	140	147.6 Å²	147.6	75%	0.749	76%	0.761	S	S	*	*			trans	78.1	101.2	170.3	-51.9	-18.1	0	0	0	117
442	W	27.5	Very low	28.5	Very low	255 Å²	255	148.7 Å²	148.7	97%	0.966	77%	0.766	S	S	*	*				-156.9	151.2	112.3	-90.8	-35.7	0	0	0	111.5
443	S	25.6	Very low	28.5	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	78%	0.776	S	S	*	*			trans	-146.9	127.6	-176.1	56.1	0	0	0	0	110.6
444	Y	24.2	Very low	28.5	Very low	225 Å²	225	151.4 Å²	151.4	88%	0.882	78%	0.777	S	S	*	*			trans	44.1	124	161.6	-87.7	-87.5	0	0	0	120.2
445	S	26.7	Very low	28.3	Very low	115 Å²	115	149.8 Å²	149.8	80%	0.804	78%	0.777	S	S	*	*				-160.8	136.9	124.6	-84.3	0	0	0	0	111.6
446	P	27.4	Very low	28	Very low	108 Å²	108	149.2 Å²	149.2	70%	0.701	78%	0.781	S	S	*	*			trans	-84.1	133.4	168.5	33.5	-30.8	0	0	0	110.4	Y448	P446-Y448 PolarHBondContact O-N 3.21Å
447	M	29.2	Very low	28	Very low	187 Å²	187	148.5 Å²	148.5	92%	0.921	78%	0.782	S	S	*	*			trans	-90	99	173	-68.5	-154	83.2	0	0	111.6
448	Y	28.2	Very low	27.6	Very low	210 Å²	210	149.9 Å²	149.9	82%	0.824	79%	0.79	S	S	*	*			trans	-67	136.8	147.7	-96.7	-99.2	0	0	0	109.1	P446 S450	P446-Y448 PolarHBondContact O-N 3.21Å; Y448-S450 PolarHBondContact O-N 3.29Å
449	S	28.2	Very low	27.4	Very low	107 Å²	107	149.9 Å²	149.9	75%	0.748	79%	0.789	S	S	*	*			trans	-94.4	68.7	170.2	-170.3	0	0	0	0	110.7	I451	S449-I451 PolarHBondContact O-N 3.39Å
450	S	27.5	Very low	27	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	80%	0.795	S	S	*	*			trans	-84.8	84.7	173.8	56.5	0	0	0	0	110.4	Y448 Q452	Y448-S450 PolarHBondContact O-N 3.29Å; S450-Q452 PolarHBondContact O-N 3.01Å; S450-Q452 VanDerWaalsContact O-N 3.09Å
451	I	28.7	Very low	27.1	Very low	136 Å²	136	146.8 Å²	146.8	70%	0.697	80%	0.795	S	S	*	*			trans	-74.9	98.3	173.6	-61.5	179.9	0	0	0	109.1	S449 M453	S449-I451 PolarHBondContact O-N 3.39Å; I451-M453 HydrophobicContact CG2-CG 4.12Å; I451-M453 PolarHBondContact O-N 3.06Å; I451-M453 VanDerWaalsContact O-N 3.15Å
452	Q	26.2	Very low	26.9	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	80%	0.799	S	S	*	*			trans	-82.5	82.7	176.6	-171	176.4	9.6	0	0	110.3	S450	S450-Q452 PolarHBondContact O-N 3.01Å; S450-Q452 VanDerWaalsContact O-N 3.09Å
453	M	28.7	Very low	27	Very low	164 Å²	164	144.6 Å²	144.6	81%	0.808	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	132.8	168.1	-81.6	-65.2	-169.7	0	0	110.6	I451	I451-M453 HydrophobicContact CG2-CG 4.12Å; I451-M453 PolarHBondContact O-N 3.06Å; I451-M453 VanDerWaalsContact O-N 3.15Å
454	N	28.8	Very low	27.1	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.1	143	177.9	-72.4	-36.5	0	0	0	111.4
455	A	25.6	Very low	27.1	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66	129.8	179	0	0	0	0	0	111.8	T457	A455-T457 PolarHBondContact O-N 3.12Å
456	P	27.1	Very low	27.1	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70	124.9	168.1	-15.1	29.9	0	0	0	110.3
457	T	27.2	Very low	26.9	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.7	134.9	171.2	-54.4	0	0	0	0	110.3	A455 I459	A455-T457 PolarHBondContact O-N 3.12Å; T457-I459 PolarHBondContact O-N 3.33Å
458	M	22.3	Very low	26.7	Very low	177 Å²	177	138.4 Å²	138.4	87%	0.872	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-56.6	116.8	174.2	-76.4	-81	-75.3	0	0	111.6
459	I	27.3	Very low	26.5	Very low	147 Å²	147	133.4 Å²	133.4	75%	0.754	78%	0.78	S	S	*	*			trans	-125	114	164.4	-61.3	179.9	0	0	0	107.3	T457	T457-I459 PolarHBondContact O-N 3.33Å
460	S	24.8	Very low	26.4	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	78%	0.784	S	S	*	*			trans	-94.8	105.8	-175.8	57	0	0	0	0	111.9
461	T	29.9	Very low	26.3	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	79%	0.785	S	S	*	*			trans	-142	126.6	165.3	43.7	0	0	0	0	110.5	Q463	T461-Q463 PolarHBondContact O-N 3.34Å
462	N	24	Very low	26.2	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	79%	0.792	S	S	*	*			trans	-73	119.4	-177	-59.2	-35.3	0	0	0	112.1
463	Q	29.8	Very low	26.1	Very low	195 Å²	195	134.4 Å²	134.4	91%	0.911	79%	0.785	S	S	*	*			trans	-167	165.7	146.6	-110.6	145.2	83.2	0	0	113	T461	T461-Q463 PolarHBondContact O-N 3.34Å
464	S	26.4	Very low	25.9	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	79%	0.789	S	S	*	*			trans	-75.7	168.3	-163.3	-43.9	0	0	0	0	114
465	P	24.9	Very low	25.6	Very low	132 Å²	132	135 Å²	135	86%	0.857	79%	0.787	S	S	*	*			trans	-77.5	147.4	-158.9	31.5	-35.7	0	0	0	114.3
466	I	27.5	Very low	25.7	Very low	158 Å²	158	136 Å²	136	81%	0.81	79%	0.788	S	S	*	*			trans	-125.1	127.6	171.3	-62.7	179.3	0	0	0	109.3	A468	I466-A468 PolarHBondContact O-N 3.46Å
467	T	23.5	Very low	25.6	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	79%	0.791	S	S	*	*			trans	-68.1	117.3	176.8	-48.6	0	0	0	0	111
468	A	24.5	Very low	25.8	Very low	86 Å²	86	137.4 Å²	137.4	71%	0.711	79%	0.794	S	S	*	*			trans	-107.3	82.2	-176.9	0	0	0	0	0	112.4	I466 T470	I466-A468 PolarHBondContact O-N 3.46Å; A468-T470 PolarHBondContact O-N 2.98Å
469	T	24.4	Very low	26	Very low	104 Å²	104	138.9 Å²	138.9	64%	0.638	80%	0.795	S	S	*	*			trans	-76.6	98.5	177.8	-45.2	0	0	0	0	111.4	H471	T469-H471 PolarHBondContact O-N 3.03Å; T469-H471 VanDerWaalsContact O-N 3.08Å
470	T	26.2	Very low	26	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	80%	0.801	S	S	*	*			trans	-82.7	78.4	-179.1	40.3	0	0	0	0	113.4	A468	A468-T470 PolarHBondContact O-N 2.98Å
471	H	24.9	Very low	26.3	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.736	80%	0.8	S	S	*	*			trans	-76.9	116.5	161.6	-78.9	-79.9	0	0	0	111	T469 T473	T469-H471 PolarHBondContact O-N 3.03Å; T469-H471 VanDerWaalsContact O-N 3.08Å; H471-T473 PolarHBondContact O-N 3.18Å
472	T	25.9	Very low	26.2	Very low	138 Å²	138	143.5 Å²	143.5	85%	0.847	80%	0.802	S	S	*	*			trans	-83.7	90.6	171.9	5.9	0	0	0	0	111.3
473	T	23.4	Very low	26.3	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	80%	0.802	S	S	*	*			trans	-84.1	122.6	175.5	-56.8	0	0	0	0	111.2	H471	H471-T473 PolarHBondContact O-N 3.18Å
474	F	25.1	Very low	26.1	Very low	201 Å²	201	140 Å²	140	88%	0.882	80%	0.799	S	S	*	*			trans	-103.2	106.1	164.4	-94.4	-79.5	0	0	0	110.7
475	T	23.9	Very low	26	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	80%	0.801	S	S	*	*			trans	-88.4	125.9	175.1	4.4	0	0	0	0	111
476	S	27.2	Very low	25.9	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	80%	0.799	S	S	*	*			trans	-141.4	134.4	157.3	65.8	0	0	0	0	109.8
477	N	25.4	Very low	25.9	Very low	165 Å²	165	141.9 Å²	141.9	88%	0.882	80%	0.796	S	S	*	*			trans	-97.6	111.3	-170.9	-80	-40	0	0	0	111.4
478	S	30.4	Very low	25.9	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	79%	0.79	S	S	*	*			trans	-148.9	130.2	151.6	62.3	0	0	0	0	110.7
479	K	26	Very low	25.9	Very low	207 Å²	207	143 Å²	143	90%	0.9	79%	0.79	S	S	*	*			trans	-91	114.7	173	-73.1	-179.7	177.5	178.3	0	108.8
480	L	28.6	Very low	25.9	Very low	168 Å²	168	148 Å²	148	88%	0.88	80%	0.798	S	S	*	*			trans	-157.2	156.7	156.6	-110.6	155.9	0	0	0	110
481	N	29.6	Very low	25.9	Very low	143 Å²	143	150.3 Å²	150.3	77%	0.765	80%	0.8	S	S	*	*			trans	-83.2	139.9	-157.3	-72.9	-29.7	0	0	0	114.6
482	Q	28.4	Very low	26.1	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	81%	0.806	S	S	*	*	S	Bend	trans	56.8	76	144.7	-67.4	175.8	-24.2	0	0	117.4
483	S	27.2	Very low	26	Very low	120 Å²	120	150.8 Å²	150.8	84%	0.839	80%	0.797	S	S	*	*			trans	53.1	72.3	131.2	60.7	0	0	0	0	117.3
484	N	23.9	Very low	26.2	Very low	157 Å²	157	150.8 Å²	150.8	84%	0.84	80%	0.798	S	S	*	*			trans	-150.3	83.9	163.3	-139	0.3	0	0	0	110
485	I	25.4	Very low	26.1	Very low	150 Å²	150	146.9 Å²	146.9	77%	0.769	79%	0.791	S	S	*	*			trans	-135.5	112.3	173.9	-57.4	-177.6	0	0	0	109.9
486	I	23.2	Very low	26.1	Very low	160 Å²	160	147.3 Å²	147.3	82%	0.821	79%	0.793	S	S	*	*			trans	-89.4	128.7	161.9	-63.4	165.5	0	0	0	106.6
487	T	25.8	Very low	26	Very low	123 Å²	123	147.5 Å²	147.5	76%	0.755	79%	0.789	S	S	*	*			trans	-140.3	129.1	166.1	-2.1	0	0	0	0	110.3
488	T	24.5	Very low	26.1	Very low	108 Å²	108	147.2 Å²	147.2	66%	0.663	78%	0.783	S	S	*	*			trans	-73.4	155	-178.1	51.5	0	0	0	0	112.1
489	N	24.8	Very low	26	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	78%	0.781	S	S	*	*				178.3	149.1	111.8	-82.2	-20.6	0	0	0	112.1
490	Y	24.4	Very low	26.1	Very low	209 Å²	209	143.1 Å²	143.1	82%	0.82	77%	0.767	S	S	*	*			trans	63.2	77	175.1	-60.2	-70.2	0	0	0	117.5	K492	Y490-K492 PolarHBondContact O-N 3.41Å
491	E	25.6	Very low	25.9	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	77%	0.768	S	S	*	*			trans	-61.9	108	160	-178.2	174	-149.1	0	0	111	V493	E491-V493 HydrophobicContact CG-CG2 4.25Å
492	K	28.4	Very low	25.9	Very low	198 Å²	198	142.6 Å²	142.6	86%	0.861	76%	0.762	S	S	*	*			trans	-92.3	97.7	166.4	-84.5	-173.5	175.4	178.6	0	109.4	Y490 P494	Y490-K492 PolarHBondContact O-N 3.41Å; K492-P494 WeakPolarHBondContact O-CD 3.45Å
493	V	24	Very low	25.9	Very low	109 Å²	109	138.8 Å²	138.8	66%	0.661	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.7	170.4	178.7	0	0	0	0	109.8	E491 V495	E491-V493 HydrophobicContact CG-CG2 4.25Å; V493-V495 PolarHBondContact O-N 3.5Å
494	P	28.6	Very low	25.9	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-76.8	118.2	163.6	-1.5	21.3	0	0	0	107.1	K492 V496	K492-P494 WeakPolarHBondContact O-CD 3.45Å; P494-V496 PolarHBondContact O-N 2.98Å; P494-V496 VanDerWaalsContact O-N 3.12Å
495	V	23.2	Very low	26.1	Very low	119 Å²	119	134.4 Å²	134.4	72%	0.721	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-64	117.1	178.4	179.8	0	0	0	0	109	V493 V497	V493-V495 PolarHBondContact O-N 3.5Å; V495-V497 VanDerWaalsContact C-N 3.35Å; V495-V497 HydrophobicContact CG1-CG2 4Å; V495-V497 PolarHBondContact O-N 2.59Å
496	V	23.7	Very low	26.2	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	77%	0.77	S	S	*	*			trans	-70.6	93.6	172.3	-179.2	0	0	0	0	108.3	P494 E498	P494-V496 PolarHBondContact O-N 2.98Å; P494-V496 VanDerWaalsContact O-N 3.12Å; V496-E498 HydrophobicContact CG1-CG 4.21Å; V496-E498 PolarHBondContact O-N 3.28Å
497	V	25.5	Very low	26.5	Very low	119 Å²	119	133.6 Å²	133.6	72%	0.721	77%	0.765	S	S	*	*			trans	-87.6	95.6	167.5	-177.1	0	0	0	0	107.3	V495 P499	V495-V497 VanDerWaalsContact C-N 3.35Å; V495-V497 HydrophobicContact CG1-CG2 4Å; V495-V497 PolarHBondContact O-N 2.59Å; V497-P499 WeakPolarHBondContact O-CD 3.22Å
498	E	25.9	Very low	27	Very low	159 Å²	159	133.9 Å²	133.9	74%	0.743	77%	0.769	S	S	*	*			trans	-64.4	123.5	166.6	-68.7	-170	134.2	0	0	109.4	V496 I500	V496-E498 HydrophobicContact CG1-CG 4.21Å; V496-E498 PolarHBondContact O-N 3.28Å; E498-I500 PolarHBondContact O-N 3.49Å
499	P	30.1	Very low	27.5	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	78%	0.776	S	S	*	*			trans	-72.6	107.8	167.7	-11	28.2	0	0	0	108.3	V497 E501	V497-P499 WeakPolarHBondContact O-CD 3.22Å; P499-E501 PolarHBondContact O-N 3.32Å
500	I	26.3	Very low	28.2	Very low	117 Å²	117	135.5 Å²	135.5	60%	0.6	78%	0.782	S	S	*	*			trans	-64.6	125.2	179	-59.1	175.2	0	0	0	109.5	E498 V502	E498-I500 PolarHBondContact O-N 3.49Å; I500-V502 HydrophobicContact CB-CG2 4.35Å; I500-V502 HydrophobicContact CG2-CG2 3.82Å; I500-V502 PolarHBondContact O-N 2.85Å
501	E	26.2	Very low	29.2	Very low	195 Å²	195	129.5 Å²	129.5	91%	0.911	76%	0.763	S	S	*	*			trans	-70.3	88	170.9	-68.6	-169.9	144.7	0	0	110.7	P499 A503	P499-E501 PolarHBondContact O-N 3.32Å; E501-A503 PolarHBondContact O-N 3.42Å
502	V	28.7	Very low	31	Very low	105 Å²	105	124.9 Å²	124.9	64%	0.636	74%	0.744	S	S	*	*			trans	-88.7	105.2	175	-175.4	0	0	0	0	110.4	I500	I500-V502 HydrophobicContact CB-CG2 4.35Å; I500-V502 HydrophobicContact CG2-CG2 3.82Å; I500-V502 PolarHBondContact O-N 2.85Å
503	A	28.5	Very low	32.2	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	73%	0.729	S	S	*	*			trans	-87.3	122.9	173.7	0	0	0	0	0	112.2	E501	E501-A503 PolarHBondContact O-N 3.42Å
504	A	28.1	Very low	33.7	Very low	107 Å²	107	124.9 Å²	124.9	88%	0.884	73%	0.732	S	S	*	*	S	Bend	trans	41.1	91.2	156	0	0	0	0	0	118.8
505	G	27.2	Very low	35.1	Very low	78 Å²	78	123 Å²	123	80%	0.804	72%	0.716	S	S	*	*			trans	-165.6	148	165.7	0	0	0	0	0	113
506	E	27.9	Very low	36.6	Very low	206 Å²	206	121 Å²	121	96%	0.963	70%	0.698	S	S	*	*			trans	-81.7	132.2	-178.4	-65.4	179.8	115.4	0	0	113.1
507	A	30.1	Very low	38	Very low	87 Å²	87	120.7 Å²	120.7	72%	0.719	69%	0.688	S	S	*	*			trans	-152.5	134.9	154.9	0	0	0	0	0	110.3	A509	A507-A509 PolarHBondContact O-N 3.3Å
508	P	34.4	Very low	39.3	Very low	128 Å²	128	119 Å²	119	83%	0.831	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-72	123.1	174.1	29.2	-32.8	0	0	0	110.1	E510	P508-E510 PolarHBondContact O-N 2.92Å
509	A	36.7	Very low	40.7	Very low	99 Å²	99	115.3 Å²	115.3	82%	0.818	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71.7	116.4	176	0	0	0	0	0	110.6	A507 L511	A507-A509 PolarHBondContact O-N 3.3Å; A509-L511 PolarHBondContact O-N 2.84Å
510	E	38.9	Very low	41.7	Very low	177 Å²	177	114.8 Å²	114.8	83%	0.827	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.1	128.7	164.6	-69	-165.9	118	0	0	109.4	P508 N512	P508-E510 PolarHBondContact O-N 2.92Å; E510-N512 PolarHBondContact O-N 2.65Å
511	L	44.9	Very low	43.1	Very low	82 Å²	82	112.2 Å²	112.2	43%	0.429	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-56.9	136.8	171.4	-68.2	165.1	0	0	0	109.7	A509 D515 K516 L519	A509-L511 PolarHBondContact O-N 2.84Å; L511-D515 HydrophobicContact CB-CB 4.19Å; L511-D515 HydrophobicContact CD2-CB 3.99Å; L511-K516 HydrophobicContact CB-CG 3.86Å; L511-K516 WeakPolarHBondContact O-CE 3.47Å; L511-L519 HydrophobicContact CD1-CD2 3.48Å; L511-L519 VanDerWaalsContact CD1-CD2 3.48Å
512	N	63.6	Low	43.9	Very low	86 Å²	86	108.7 Å²	108.7	46%	0.46	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-66.3	164.7	172.6	69.8	62.2	0	0	0	110.3	E510 R514 D515 K516	E510-N512 PolarHBondContact O-N 2.65Å; N512-R514 PolarHBondContact O-N 2.9Å; N512-R514 VanDerWaalsContact O-N 3.15Å; N512-R514 WeakPolarHBondContact OD1-CA 3.47Å; N512-R514 VanDerWaalsContact OD1-CB 3.27Å; N512-R514 WeakPolarHBondContact OD1-CB 3.43Å; N512-R514 PolarHBondContact OD1-N 2.93Å; N512-D515 PolarHBondContact ND2-OD2 3.08Å; N512-D515 PolarHBondContact O-N 3.42Å; N512-D515 VanDerWaalsContact O-N 3.11Å; N512-D515 PolarHBondContact OD1-N 2.62Å; N512-K516 WeakPolarHBondContact O-CG 3.46Å; N512-K516 PolarHBondContact O-N 3.11Å
513	E	53.7	Low	44.8	Very low	114 Å²	114	108.8 Å²	108.8	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-65.1	-23.5	-171.9	-146.4	60	-148.6	0	0	113.8	K516 Q517	E513-K516 VanDerWaalsContact OE2-CD 3.24Å; E513-K516 WeakPolarHBondContact OE2-CD 3.36Å; E513-K516 IonicContact OE2-NZ 2.75Å; E513-K516 PolarHBondContact OE2-NZ 3.1Å; E513-Q517 WeakPolarHBondContact O-CB 3.28Å; E513-Q517 VanDerWaalsContact O-CG 3.24Å; E513-Q517 WeakPolarHBondContact O-CG 3.45Å; E513-Q517 PolarHBondContact O-N 2.91Å
514	R	55.2	Low	45.4	Very low	193 Å²	193	110.3 Å²	110.3	73%	0.728	62%	0.617	S	S	*	*	H	α-helix	trans	-73.6	-45.1	173.7	-160.5	-174.9	-166.8	107	0.2	110.9	N512 K516 Q517 V518	N512-R514 PolarHBondContact O-N 2.9Å; N512-R514 VanDerWaalsContact O-N 3.15Å; N512-R514 WeakPolarHBondContact OD1-CA 3.47Å; N512-R514 VanDerWaalsContact OD1-CB 3.27Å; N512-R514 WeakPolarHBondContact OD1-CB 3.43Å; N512-R514 PolarHBondContact OD1-N 2.93Å; R514-K516 VanDerWaalsContact C-N 3.34Å; R514-Q517 WeakPolarHBondContact O-CB 3.33Å; R514-Q517 PolarHBondContact O-N 3.25Å; R514-Q517 VanDerWaalsContact O-N 3.12Å; R514-V518 WeakPolarHBondContact O-CG2 3.19Å; R514-V518 PolarHBondContact O-N 2.81Å
515	D	58	Low	45.9	Very low	71 Å²	71	111.5 Å²	111.5	38%	0.38	61%	0.609	S	S	.	*	H	α-helix	trans	-69.2	-33.4	177.5	-62	-20.3	0	0	0	111.6	L511 N512 V518 L519	L511-D515 HydrophobicContact CB-CB 4.19Å; L511-D515 HydrophobicContact CD2-CB 3.99Å; N512-D515 PolarHBondContact ND2-OD2 3.08Å; N512-D515 PolarHBondContact O-N 3.42Å; N512-D515 VanDerWaalsContact O-N 3.11Å; N512-D515 PolarHBondContact OD1-N 2.62Å; D515-V518 PolarHBondContact O-N 2.85Å; D515-L519 WeakPolarHBondContact O-CB 3.49Å; D515-L519 PolarHBondContact O-N 3.02Å
516	K	56.1	Low	46.1	Very low	77 Å²	77	116 Å²	116	34%	0.335	61%	0.607	S	S	.	*	H	α-helix	trans	-60.8	-43.8	167	-73.5	171.9	-176.5	158.2	0	111.6	L511 N512 E513 R514 L519 H520	L511-K516 HydrophobicContact CB-CG 3.86Å; L511-K516 WeakPolarHBondContact O-CE 3.47Å; N512-K516 WeakPolarHBondContact O-CG 3.46Å; N512-K516 PolarHBondContact O-N 3.11Å; E513-K516 VanDerWaalsContact OE2-CD 3.24Å; E513-K516 WeakPolarHBondContact OE2-CD 3.36Å; E513-K516 IonicContact OE2-NZ 2.75Å; E513-K516 PolarHBondContact OE2-NZ 3.1Å; R514-K516 VanDerWaalsContact C-N 3.34Å; K516-L519 PolarHBondContact O-N 3.44Å; K516-H520 WeakPolarHBondContact O-CB 3.48Å; K516-H520 PolarHBondContact O-N 3.22Å
517	Q	52.5	Low	46	Very low	121 Å²	121	111.3 Å²	111.3	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-38.8	177.3	-76.2	172.3	14.4	0	0	112.5	E513 R514 S521	E513-Q517 WeakPolarHBondContact O-CB 3.28Å; E513-Q517 VanDerWaalsContact O-CG 3.24Å; E513-Q517 WeakPolarHBondContact O-CG 3.45Å; E513-Q517 PolarHBondContact O-N 2.91Å; R514-Q517 WeakPolarHBondContact O-CB 3.33Å; R514-Q517 PolarHBondContact O-N 3.25Å; R514-Q517 VanDerWaalsContact O-N 3.12Å; Q517-S521 WeakPolarHBondContact O-CB 3.28Å; Q517-S521 PolarHBondContact O-N 3.45Å; Q517-S521 PolarHBondContact O-OG 3.44Å
518	V	52.9	Low	46	Very low	82 Å²	82	112.4 Å²	112.4	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-64.6	-49	173.5	170.2	0	0	0	0	110.5	R514 D515 H520 S521 L522	R514-V518 WeakPolarHBondContact O-CG2 3.19Å; R514-V518 PolarHBondContact O-N 2.81Å; D515-V518 PolarHBondContact O-N 2.85Å; V518-H520 VanDerWaalsContact C-N 3.35Å; V518-H520 PolarHBondContact O-N 3.46Å; V518-S521 WeakPolarHBondContact O-CB 3.43Å; V518-S521 PolarHBondContact O-N 3.38Å; V518-L522 HydrophobicContact CG1-CD1 3.92Å; V518-L522 PolarHBondContact O-N 3.44Å
519	L	54.2	Low	45.5	Very low	83 Å²	83	114.4 Å²	114.4	44%	0.435	60%	0.596	S	S	.	*	H	α-helix	trans	-63.8	-38.2	177.4	-174.3	65.4	0	0	0	112.1	L511 D515 K516 L522 L523	L511-L519 HydrophobicContact CD1-CD2 3.48Å; L511-L519 VanDerWaalsContact CD1-CD2 3.48Å; D515-L519 WeakPolarHBondContact O-CB 3.49Å; D515-L519 PolarHBondContact O-N 3.02Å; K516-L519 PolarHBondContact O-N 3.44Å; L519-L522 PolarHBondContact O-N 3.28Å; L519-L523 HydrophobicContact CD1-CD1 3.83Å; L519-L523 HydrophobicContact CG-CD1 3.97Å; L519-L523 WeakPolarHBondContact O-CB 3.31Å; L519-L523 VanDerWaalsContact O-CD1 3.32Å; L519-L523 WeakPolarHBondContact O-CD1 3.3Å; L519-L523 PolarHBondContact O-N 3.3Å
520	H	51.8	Low	45.1	Very low	110 Å²	110	117.3 Å²	117.3	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-65.6	-39.3	173.9	-174.8	-89.1	0	0	0	111.3	K516 V518 L523 M524	K516-H520 WeakPolarHBondContact O-CB 3.48Å; K516-H520 PolarHBondContact O-N 3.22Å; V518-H520 VanDerWaalsContact C-N 3.35Å; V518-H520 PolarHBondContact O-N 3.46Å; H520-L523 PolarHBondContact O-N 3.04Å; H520-M524 VanDerWaalsContact NE2-CE 3.3Å; H520-M524 WeakPolarHBondContact NE2-CE 3.43Å; H520-M524 VanDerWaalsContact O-CB 3.28Å; H520-M524 WeakPolarHBondContact O-CB 3.39Å; H520-M524 VanDerWaalsContact O-CG 3.23Å; H520-M524 WeakPolarHBondContact O-CG 3.29Å; H520-M524 PolarHBondContact O-N 3.02Å
521	S	55.3	Low	44.4	Very low	63 Å²	63	114 Å²	114	44%	0.441	59%	0.588	S	S	.	*	H	α-helix	trans	-64.4	-41.3	173.9	-56.6	0	0	0	0	111.6	Q517 V518 N525	Q517-S521 WeakPolarHBondContact O-CB 3.28Å; Q517-S521 PolarHBondContact O-N 3.45Å; Q517-S521 PolarHBondContact O-OG 3.44Å; V518-S521 WeakPolarHBondContact O-CB 3.43Å; V518-S521 PolarHBondContact O-N 3.38Å; S521-N525 VanDerWaalsContact O-CB 3.28Å; S521-N525 WeakPolarHBondContact O-CB 3.46Å; S521-N525 VanDerWaalsContact O-CG 3.3Å; S521-N525 PolarHBondContact O-N 3.48Å
522	L	43.8	Very low	43.4	Very low	121 Å²	121	114.9 Å²	114.9	63%	0.634	60%	0.601	S	S	*	*	H	α-helix	trans	-66.5	-35.8	173.5	-86.7	147.6	0	0	0	113.3	V518 L519	V518-L522 HydrophobicContact CG1-CD1 3.92Å; V518-L522 PolarHBondContact O-N 3.44Å; L519-L522 PolarHBondContact O-N 3.28Å
523	L	46.4	Very low	41.5	Very low	107 Å²	107	115.8 Å²	115.8	56%	0.56	61%	0.614	S	S	*	*	H	α-helix	trans	-75.3	-35.2	175.3	-100.4	81.4	0	0	0	113.3	L519 H520	L519-L523 HydrophobicContact CD1-CD1 3.83Å; L519-L523 HydrophobicContact CG-CD1 3.97Å; L519-L523 WeakPolarHBondContact O-CB 3.31Å; L519-L523 VanDerWaalsContact O-CD1 3.32Å; L519-L523 WeakPolarHBondContact O-CD1 3.3Å; L519-L523 PolarHBondContact O-N 3.3Å; H520-L523 PolarHBondContact O-N 3.04Å
524	M	42.3	Very low	40.3	Very low	125 Å²	125	117 Å²	117	62%	0.616	63%	0.629	S	S	*	*	H	α-helix	trans	-82.7	-22.4	-179.4	-67.2	-59.7	-177	0	0	112.8	H520 K526	H520-M524 VanDerWaalsContact NE2-CE 3.3Å; H520-M524 WeakPolarHBondContact NE2-CE 3.43Å; H520-M524 VanDerWaalsContact O-CB 3.28Å; H520-M524 WeakPolarHBondContact O-CB 3.39Å; H520-M524 VanDerWaalsContact O-CG 3.23Å; H520-M524 WeakPolarHBondContact O-CG 3.29Å; H520-M524 PolarHBondContact O-N 3.02Å; M524-K526 PolarHBondContact O-N 3.24Å
525	N	37.4	Very low	38.9	Very low	132 Å²	132	113.7 Å²	113.7	71%	0.706	63%	0.632	S	S	*	*			trans	-72.1	30.9	165.9	-77	-12.6	0	0	0	113.5	S521 S527	S521-N525 VanDerWaalsContact O-CB 3.28Å; S521-N525 WeakPolarHBondContact O-CB 3.46Å; S521-N525 VanDerWaalsContact O-CG 3.3Å; S521-N525 PolarHBondContact O-N 3.48Å; N525-S527 PolarHBondContact O-N 3.04Å; N525-S527 VanDerWaalsContact O-N 3.11Å
526	K	31.1	Very low	37.3	Very low	173 Å²	173	116.9 Å²	116.9	75%	0.752	65%	0.654	S	S	*	*			trans	-72.5	94.9	155.5	-80.4	-176	175.5	-178.5	0	108.4	M524	M524-K526 PolarHBondContact O-N 3.24Å
527	S	27.6	Very low	35.9	Very low	106 Å²	106	120 Å²	120	74%	0.741	67%	0.674	S	S	*	*			trans	-42.6	136	172.8	-55.4	0	0	0	0	111.3	N525 M529	N525-S527 PolarHBondContact O-N 3.04Å; N525-S527 VanDerWaalsContact O-N 3.11Å; S527-M529 PolarHBondContact O-N 3.35Å
528	P	28.2	Very low	34.6	Very low	111 Å²	111	121.2 Å²	121.2	72%	0.721	69%	0.685	S	S	*	*			trans	-58.9	137.1	-175	23.7	-33.7	0	0	0	110.9	I530	P528-I530 VanDerWaalsContact C-N 3.31Å; P528-I530 PolarHBondContact O-N 3.41Å
529	M	25.8	Very low	33.3	Very low	170 Å²	170	126 Å²	126	84%	0.837	70%	0.7	S	S	*	*			trans	-71.5	80.1	-173.1	-172.9	-171.4	71	0	0	111.8	S527 V531	S527-M529 PolarHBondContact O-N 3.35Å; M529-V531 HydrophobicContact CE-CG2 4.05Å; M529-V531 HydrophobicContact CG-CG2 3.84Å; M529-V531 PolarHBondContact O-N 3.29Å; M529-V531 HydrophobicContact SD-CG2 4.26Å
530	I	27.2	Very low	31.8	Very low	159 Å²	159	127 Å²	127	82%	0.815	71%	0.714	S	S	*	*			trans	-79.8	107.9	169.8	-59.8	179.1	0	0	0	108	P528	P528-I530 VanDerWaalsContact C-N 3.31Å; P528-I530 PolarHBondContact O-N 3.41Å
531	V	24.5	Very low	30.5	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.655	73%	0.728	S	S	*	*			trans	-94.7	141.8	177.6	-173.9	0	0	0	0	109.6	M529	M529-V531 HydrophobicContact CE-CG2 4.05Å; M529-V531 HydrophobicContact CG-CG2 3.84Å; M529-V531 PolarHBondContact O-N 3.29Å; M529-V531 HydrophobicContact SD-CG2 4.26Å
532	S	23.9	Very low	29.1	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	74%	0.74	S	S	*	*			trans	88.4	107.1	161.4	-142	0	0	0	0	119.3
533	S	24.5	Very low	28.2	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	75%	0.747	S	S	*	*				61.5	88.7	125.1	68.4	0	0	0	0	121.1
534	V	27	Very low	27.1	Very low	141 Å²	141	135.4 Å²	135.4	86%	0.855	75%	0.751	S	S	*	*			trans	-137.9	139.3	140.2	179.8	0	0	0	0	106.7
535	P	26.3	Very low	26.3	Very low	122 Å²	122	137 Å²	137	79%	0.792	76%	0.762	S	S	*	*			trans	-83.4	163	-165.7	32.5	-37	0	0	0	115.4
536	V	24.5	Very low	25.8	Very low	139 Å²	139	137.4 Å²	137.4	84%	0.842	77%	0.769	S	S	*	*			trans	-54.6	135.3	175.8	-177	0	0	0	0	112.1
537	N	25.9	Very low	25.5	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	77%	0.766	S	S	*	*			trans	-154.8	143.8	153.2	-118.4	-21.6	0	0	0	111.9
538	N	25.3	Very low	25.5	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	77%	0.768	S	S	*	*			trans	-40.3	125.2	-170.3	-58.8	-20.6	0	0	0	116.7
539	F	26	Very low	25.3	Very low	184 Å²	184	140.5 Å²	140.5	81%	0.807	78%	0.78	S	S	*	*			trans	-118.5	105	146.9	-89.4	-83.4	0	0	0	109.5	Y541	F539-Y541 PolarHBondContact O-N 2.93Å
540	S	23.4	Very low	25.5	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	78%	0.776	S	S	*	*			trans	-76.3	116.9	166.7	-175.6	0	0	0	0	108.4	T542	S540-T542 PolarHBondContact O-N 2.89Å; S540-T542 VanDerWaalsContact O-N 3.16Å
541	Y	25.3	Very low	25.5	Very low	207 Å²	207	136.5 Å²	136.5	81%	0.812	77%	0.773	S	S	*	*			trans	-81.8	91.9	173.2	-82.7	-79.8	0	0	0	110.1	F539 I543	F539-Y541 PolarHBondContact O-N 2.93Å; Y541-I543 PolarHBondContact O-N 3.41Å
542	T	24.3	Very low	25.6	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	78%	0.778	S	S	*	*			trans	-65.8	93	170.2	-50.4	0	0	0	0	109.9	S540 T544	S540-T542 PolarHBondContact O-N 2.89Å; S540-T542 VanDerWaalsContact O-N 3.16Å; T542-T544 PolarHBondContact O-N 2.98Å; T542-T544 PolarHBondContact O-OG1 2.64Å
543	I	25.3	Very low	25.9	Very low	153 Å²	153	138.7 Å²	138.7	79%	0.785	78%	0.783	S	S	*	*			trans	-60.3	107.5	170.6	-62.2	179.1	0	0	0	107.6	Y541	Y541-I543 PolarHBondContact O-N 3.41Å
544	T	24.5	Very low	26	Very low	103 Å²	103	139.1 Å²	139.1	63%	0.632	78%	0.783	S	S	*	*			trans	-95	114.9	-173.2	-58.7	0	0	0	0	109	T542 T546	T542-T544 PolarHBondContact O-N 2.98Å; T542-T544 PolarHBondContact O-OG1 2.64Å; T544-T546 PolarHBondContact O-N 3.47Å; T544-T546 PolarHBondContact O-OG1 2.95Å
545	N	24.8	Very low	26.2	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	78%	0.784	S	S	*	*			trans	-53.3	105	177.1	-84.5	-21.2	0	0	0	111	S547	N545-S547 PolarHBondContact O-N 3.48Å
546	T	26.5	Very low	26.3	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	79%	0.786	S	S	*	*			trans	-100	78	174.8	-53.8	0	0	0	0	108.5	T544	T544-T546 PolarHBondContact O-N 3.47Å; T544-T546 PolarHBondContact O-OG1 2.95Å
547	S	25.8	Very low	26.6	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	78%	0.783	S	S	*	*			trans	-93.5	155.1	169.9	-171.2	0	0	0	0	110.7	N545	N545-S547 PolarHBondContact O-N 3.48Å
548	M	26.1	Very low	26.7	Very low	158 Å²	158	141.9 Å²	141.9	78%	0.778	78%	0.784	S	S	*	*			trans	66.8	106.3	171.6	-54.5	-144.4	-75.1	0	0	117.7	T550	M548-T550 PolarHBondContact O-N 2.75Å
549	M	24	Very low	27	Very low	199 Å²	199	140.2 Å²	140.2	98%	0.98	78%	0.784	S	S	*	*			trans	-62.1	110.7	137.3	-91.8	-171.6	163.4	0	0	109
550	T	30.3	Very low	27.1	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	79%	0.787	S	S	*	*			trans	-156.3	147.8	145.5	-2.5	0	0	0	0	109	M548	M548-T550 PolarHBondContact O-N 2.75Å
551	T	26.9	Very low	27.4	Very low	124 Å²	124	143 Å²	143	76%	0.761	79%	0.793	S	S	*	*			trans	-96.7	148	-158.3	45.5	0	0	0	0	114.5
552	T	28.2	Very low	27.6	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	79%	0.791	S	S	*	*			trans	66.2	143.5	155	49.8	0	0	0	0	117.4
553	T	29.3	Very low	27.9	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	80%	0.799	S	S	*	*			cis	-153.2	157.1	7.8	-4.5	0	0	0	0	110.3
554	P	27.6	Very low	28.1	Very low	114 Å²	114	137.3 Å²	137.3	74%	0.74	80%	0.802	S	S	*	*			trans	-110	170.9	-170.9	40.8	-32.7	0	0	0	114.8
555	I	31.2	Very low	28.5	Very low	171 Å²	171	138.2 Å²	138.2	88%	0.877	81%	0.809	S	S	*	*			trans	-149.1	148	157	-102.1	143.6	0	0	0	112.9
556	K	28.4	Very low	28.8	Very low	190 Å²	190	137.4 Å²	137.4	83%	0.826	81%	0.81	S	S	*	*			trans	-56	168.7	-178.3	-60.5	152.6	-178.1	176.5	0	113.8
557	S	30.7	Very low	28.7	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	81%	0.813	S	S	*	*			cis	-148.8	149.2	32.5	45.4	0	0	0	0	112
558	V	27.1	Very low	28.8	Very low	129 Å²	129	139.4 Å²	139.4	78%	0.782	81%	0.814	S	S	*	*			cis	82	95.3	46	179.8	0	0	0	0	115.2
559	S	32.6	Very low	28.9	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	81%	0.809	S	S	*	*			trans	164.9	101.8	143.9	56.5	0	0	0	0	108.9
560	N	26.9	Very low	29.2	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	81%	0.805	S	S	*	*				67	148	70.3	-89.8	17.8	0	0	0	117.2
561	E	30.7	Very low	29	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	81%	0.806	S	S	*	*			trans	79.2	114.6	-178.3	-56.5	-175	-173.6	0	0	115.8
562	S	28.3	Very low	29.1	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	81%	0.809	S	S	*	*			cis	109.2	92.3	15.6	77.8	0	0	0	0	115.1
563	S	31.8	Very low	29.1	Very low	123 Å²	123	140.3 Å²	140.3	86%	0.86	81%	0.81	S	S	*	*			trans	-166.2	133.8	145	57.6	0	0	0	0	113.6
564	S	29.5	Very low	28.9	Very low	122 Å²	122	139 Å²	139	85%	0.853	81%	0.806	S	S	*	*			trans	-43	170.2	-177.7	-53.4	0	0	0	0	120.8
565	P	32.7	Very low	28.9	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	81%	0.809	S	S	*	*			trans	-105.6	162.7	-164.9	40.5	-34.4	0	0	0	115.9
566	V	29.3	Very low	28.6	Very low	141 Å²	141	136.9 Å²	136.9	86%	0.855	80%	0.804	S	S	*	*			trans	-140.7	143.1	162.8	-179.7	0	0	0	0	110.6
567	L	25.6	Very low	28.6	Very low	178 Å²	178	132.3 Å²	132.3	93%	0.932	80%	0.801	S	S	*	*			trans	-94.1	110.8	179.8	-85	157.7	0	0	0	112.9
568	S	28.5	Very low	28.5	Very low	102 Å²	102	134 Å²	134	71%	0.713	80%	0.798	S	S	*	*			trans	179.6	148.9	165.4	50.7	0	0	0	0	108.5
569	S	27.7	Very low	28.6	Very low	94 Å²	94	136 Å²	136	66%	0.657	81%	0.805	S	S	*	*			cis	-176.4	149	-2.4	41.6	0	0	0	0	110.1
570	F	29.8	Very low	28.3	Very low	205 Å²	205	138.9 Å²	138.9	90%	0.899	80%	0.804	S	S	*	*			trans	69.3	153	151.9	-80.8	-131.2	0	0	0	119.7
571	N	26.5	Very low	28.4	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	80%	0.802	S	S	*	*			trans	-64	151.8	171.9	-47.8	-33.2	0	0	0	111.7
572	N	29.5	Very low	28.2	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	80%	0.8	S	S	*	*				-168.4	167.3	112.4	-97.9	-30	0	0	0	113.3
573	L	27.3	Very low	28.3	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	80%	0.802	S	S	*	*			trans	-78.8	159.5	-174.5	-65.2	71.5	0	0	0	112.4
574	S	25.4	Very low	28	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	79%	0.793	S	S	*	*			trans	36.2	129.8	144.1	64.1	0	0	0	0	119
575	S	28	Very low	27.9	Very low	117 Å²	117	139 Å²	139	82%	0.818	80%	0.795	S	S	*	*				-179	165.6	72.6	43.9	0	0	0	0	114.9
576	V	24.8	Very low	27.5	Very low	125 Å²	125	143.8 Å²	143.8	76%	0.758	80%	0.798	S	S	*	*			trans	-43	128.2	176.2	179.2	0	0	0	0	116.7	M578	V576-M578 HydrophobicContact CG1-CG 4.02Å
577	A	28.5	Very low	27.6	Very low	94 Å²	94	142.6 Å²	142.6	78%	0.777	79%	0.791	S	S	*	*			trans	-157.8	102.9	135.7	0	0	0	0	0	108.9
578	M	26.8	Very low	27.7	Very low	145 Å²	145	142 Å²	142	71%	0.714	78%	0.783	S	S	*	*				59.9	93	85.5	-72.3	-72.4	-172.9	0	0	114.6	V576	V576-M578 HydrophobicContact CG1-CG 4.02Å
579	N	30.1	Very low	27.5	Very low	172 Å²	172	142.1 Å²	142.1	92%	0.92	78%	0.784	S	S	*	*				-149.9	142.4	120.8	-115.2	-30.4	0	0	0	111.9
580	K	26	Very low	27.6	Very low	173 Å²	173	143 Å²	143	75%	0.752	79%	0.79	S	S	*	*			trans	-93.2	153.3	180	-60.6	171.2	179.6	173.8	0	109.7
581	S	29.6	Very low	27.5	Very low	119 Å²	119	140.3 Å²	140.3	83%	0.832	79%	0.785	S	S	*	*				-172.3	146.6	115.9	-84	0	0	0	0	113.9
582	N	26.6	Very low	27.7	Very low	155 Å²	155	141 Å²	141	83%	0.829	79%	0.787	S	S	*	*			trans	-47.8	144.6	178	-40.1	-32.7	0	0	0	114.6
583	S	29.6	Very low	27.5	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	78%	0.78	S	S	*	*				-155.9	139.5	120.1	-162.7	0	0	0	0	111.9
584	T	25.2	Very low	27.8	Very low	111 Å²	111	136.9 Å²	136.9	68%	0.681	78%	0.781	S	S	*	*			trans	-88.4	142.4	176.3	-51.8	0	0	0	0	109.7
585	F	29	Very low	27.9	Very low	204 Å²	204	137.4 Å²	137.4	90%	0.895	78%	0.779	S	S	*	*			trans	-140.3	131	143.8	-107.9	-78.5	0	0	0	111.4
586	R	24	Very low	28	Very low	222 Å²	222	138.9 Å²	138.9	84%	0.838	78%	0.777	S	S	*	*			trans	-117.3	136.8	171	-85.3	178.8	159.4	-158.3	-1.6	107.6
587	T	30.4	Very low	28.1	Very low	116 Å²	116	137 Å²	137	71%	0.712	76%	0.762	S	S	*	*			trans	-179.5	151.2	148.2	35.7	0	0	0	0	106.6
588	E	28.1	Very low	28.1	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	76%	0.755	S	S	*	*			cis	-156.8	115	-16.5	-105.2	160.2	-171.4	0	0	104.9
589	S	24.9	Very low	28	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	74%	0.739	S	S	*	*				58.6	99.5	93.5	70.9	0	0	0	0	117.3
590	S	30.2	Very low	27.9	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	74%	0.737	S	S	*	*			trans	177.3	151.3	141.4	39.1	0	0	0	0	111.9
591	N	27.7	Very low	27.9	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	73%	0.733	S	S	*	*			cis	-162.1	166.3	-40.4	-132.9	-9.7	0	0	0	110.8
592	I	30.3	Very low	27.8	Very low	155 Å²	155	131.1 Å²	131.1	80%	0.795	73%	0.733	S	S	*	*			trans	78.9	108.1	163.7	-56.9	147.1	0	0	0	118
593	S	25.5	Very low	27.8	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	73%	0.733	S	S	*	*			trans	-103.7	176.3	154.1	-49.7	0	0	0	0	109.8
594	P	32.6	Very low	27.7	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	73%	0.73	S	S	*	*				-142.1	158.8	89	32.9	-15.1	0	0	0	113.9
595	T	29	Very low	27.8	Very low	112 Å²	112	128.1 Å²	128.1	69%	0.687	74%	0.735	S	S	*	*			cis	92.7	123.7	23.2	-55.8	0	0	0	0	115.4
596	I	29.3	Very low	27.6	Very low	148 Å²	148	124.5 Å²	124.5	76%	0.759	73%	0.73	S	S	*	*			trans	-175.4	143.7	138.5	-97.3	155.8	0	0	0	110.8
597	N	27	Very low	27.7	Very low	85 Å²	85	123.7 Å²	123.7	46%	0.455	73%	0.732	S	S	.	*			trans	-133.5	157.3	-174.6	-91.9	60.2	0	0	0	111.4	E789	N597-E789 WeakPolarHBondContact CA-OE1 2.93Å; N597-E789 WeakPolarHBondContact CA-OE2 3.33Å; N597-E789 WeakPolarHBondContact CB-OE2 3.22Å; N597-E789 VanDerWaalsContact CG-OE2 3.31Å; N597-E789 VanDerWaalsContact ND2-CD 3.32Å; N597-E789 PolarHBondContact ND2-OE2 3.24Å
598	T	27.9	Very low	27.3	Very low	102 Å²	102	124 Å²	124	63%	0.626	73%	0.734	S	S	*	*			trans	-157.2	127.6	141.1	-28.5	0	0	0	0	116.9	M788 E789	T598-M788 VanDerWaalsContact O-CB 3.3Å; T598-M788 WeakPolarHBondContact O-CB 3.3Å; T598-E789 WeakPolarHBondContact CA-OE2 3.39Å; T598-E789 PolarHBondContact N-OE1 2.83Å; T598-E789 PolarHBondContact N-OE2 3.44Å
599	T	25.2	Very low	27.3	Very low	61 Å²	61	123.6 Å²	123.6	37%	0.374	74%	0.735	S	S	.	*			trans	-77.2	168.8	170.1	-27.5	0	0	0	0	115.6	E789 D790	T599-E789 PolarHBondContact N-OE2 3.25Å; T599-D790 WeakPolarHBondContact CB-OD2 3.38Å; T599-D790 WeakPolarHBondContact CG2-OD2 3.07Å; T599-D790 PolarHBondContact OG1-OD2 3.08Å
600	I	28	Very low	27.3	Very low	170 Å²	170	122.7 Å²	122.7	87%	0.872	73%	0.729	S	S	*	*			trans	-154.1	158.2	141.9	-106.6	156.3	0	0	0	112
601	T	26.5	Very low	27.2	Very low	112 Å²	112	124.5 Å²	124.5	69%	0.687	73%	0.73	S	S	*	*			trans	-137.5	-178	-166.5	-16.7	0	0	0	0	114
602	T	27.6	Very low	27.1	Very low	135 Å²	135	125.4 Å²	125.4	83%	0.828	73%	0.73	S	S	*	*			trans	79.9	152.4	169.2	76.7	0	0	0	0	116.9
603	S	25.8	Very low	26.8	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	72%	0.724	S	S	*	*			cis	-168.8	162.4	-22.4	53	0	0	0	0	109.7
604	G	28.4	Very low	26.8	Very low	70 Å²	70	127 Å²	127	72%	0.722	73%	0.731	S	S	*	*			trans	162.8	78.7	169.6	0	0	0	0	0	119.9
605	T	26.9	Very low	26.4	Very low	129 Å²	129	125 Å²	125	79%	0.791	73%	0.725	S	S	*	*			trans	18.3	108.2	146.3	52	0	0	0	0	121.5
606	T	23.9	Very low	26.3	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	73%	0.729	S	S	*	*				34.7	123.5	124.1	59.3	0	0	0	0	120.9
607	K	27	Very low	26.1	Very low	206 Å²	206	127.7 Å²	127.7	90%	0.896	73%	0.726	S	S	*	*				-159.8	132.5	117.5	-116.6	170.5	-174.3	175.7	0	114.3
608	T	22.6	Very low	26.3	Very low	121 Å²	121	128.9 Å²	128.9	74%	0.742	74%	0.736	S	S	*	*			trans	-67.6	147.5	166.1	-38.7	0	0	0	0	110.9
609	I	27.4	Very low	26.4	Very low	157 Å²	157	130.5 Å²	130.5	81%	0.805	74%	0.741	S	S	*	*			trans	-152.7	136.8	136	-99.8	146.5	0	0	0	108.3
610	S	23.9	Very low	26.5	Very low	86 Å²	86	137.7 Å²	137.7	60%	0.601	76%	0.761	S	S	*	*			trans	-117.8	125.2	177.9	55.1	0	0	0	0	110.1
611	N	29.3	Very low	26.6	Very low	152 Å²	152	133.7 Å²	133.7	81%	0.813	75%	0.749	S	S	*	*			trans	-122.9	116.4	155.6	-69.2	-27.2	0	0	0	104.3
612	Q	24.4	Very low	26.6	Very low	167 Å²	167	134.1 Å²	134.1	78%	0.78	75%	0.751	S	S	*	*			cis	54.6	118	47.3	-69	-159.8	4.7	0	0	115
613	S	24.5	Very low	26.7	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	75%	0.747	S	S	*	*			trans	108.7	142.3	134.6	83.5	0	0	0	0	119
614	F	25.5	Very low	26.8	Very low	191 Å²	191	134.9 Å²	134.9	84%	0.838	74%	0.739	S	S	*	*			trans	46.8	125.5	168.5	-55	-76.6	0	0	0	119.1
615	A	24.1	Very low	26.7	Very low	80 Å²	80	139.1 Å²	139.1	66%	0.661	74%	0.741	S	S	*	*			cis	83.6	138.5	22.6	0	0	0	0	0	116.8
616	H	26.2	Very low	26.6	Very low	166 Å²	166	138.9 Å²	138.9	77%	0.769	73%	0.734	S	S	*	*			trans	67.2	156.7	170.7	-77.6	-133.7	0	0	0	116
617	E	26.6	Very low	26.7	Very low	150 Å²	150	138.9 Å²	138.9	70%	0.701	73%	0.73	S	S	*	*			cis	-142.6	162.6	7.9	-146.6	136.3	-120.1	0	0	108.6
618	T	29.7	Very low	26.7	Very low	110 Å²	110	136.1 Å²	136.1	68%	0.675	72%	0.724	S	S	*	*				177.8	118.5	78.8	-57.4	0	0	0	0	112
619	N	30	Very low	26.7	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	72%	0.72	S	S	*	*			trans	55	150.1	151.6	-63.7	-32.7	0	0	0	121.2
620	R	28.8	Very low	26.6	Very low	212 Å²	212	135.7 Å²	135.7	80%	0.8	72%	0.718	S	S	*	*			cis	-158.2	126.5	-5.7	-118.2	-175.6	170.1	170.7	-4.8	107
621	S	29.7	Very low	26.5	Very low	87 Å²	87	137.9 Å²	137.9	61%	0.608	72%	0.718	S	S	*	*				73.9	135.5	89.6	85.9	0	0	0	0	115.3
622	T	26.7	Very low	26.3	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	71%	0.713	S	S	*	*			cis	-176.1	172.6	0.2	11.5	0	0	0	0	110.9
623	I	30	Very low	26.3	Very low	143 Å²	143	136.2 Å²	136.2	73%	0.733	71%	0.707	S	S	*	*			trans	82.1	97.9	154.5	-67.3	146	0	0	0	118.1
624	N	26.6	Very low	26.2	Very low	125 Å²	125	138 Å²	138	67%	0.668	71%	0.709	S	S	*	*				51.9	138.9	124.5	-63.2	31.8	0	0	0	125
625	E	26.2	Very low	26.2	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	71%	0.706	S	S	*	*			trans	91.9	139.9	131	-85.1	159.1	-121.6	0	0	122.1
626	D	25.5	Very low	26.1	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	71%	0.71	S	S	*	*			trans	65.9	101.9	146.5	-84.3	35.3	0	0	0	123
627	N	25.1	Very low	26	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	71%	0.712	S	S	*	*				84.7	155.6	117.6	-90.1	-50.6	0	0	0	120.8
628	L	26.8	Very low	25.9	Very low	148 Å²	148	138.9 Å²	138.9	78%	0.775	72%	0.719	S	S	*	*			trans	60.2	73.9	151.7	-69.6	166	0	0	0	120.4
629	S	23.9	Very low	25.6	Very low	94 Å²	94	139.8 Å²	139.8	66%	0.657	73%	0.731	S	S	*	*				74.8	157.9	114.4	81.3	0	0	0	0	122
630	K	24.3	Very low	25.3	Very low	175 Å²	175	138.6 Å²	138.6	76%	0.761	73%	0.732	S	S	*	*			trans	69.7	107.3	153.1	-73.6	178.3	-179.8	175.8	0	120.3
631	Q	22.8	Very low	25.1	Very low	131 Å²	131	134.2 Å²	134.2	61%	0.612	74%	0.735	S	S	*	*				85.3	162.1	111.5	-161	171.9	-3.7	0	0	117.7
632	Y	24.6	Very low	24.9	Very low	180 Å²	180	134.6 Å²	134.6	71%	0.706	74%	0.743	S	S	*	*			trans	73.5	115.8	-178.8	-51.3	-76.8	0	0	0	113.9
633	T	23.9	Very low	24.9	Very low	105 Å²	105	136.1 Å²	136.1	64%	0.644	75%	0.745	S	S	*	*			cis	97.4	132.8	32.1	64	0	0	0	0	113.8
634	N	23.6	Very low	24.8	Very low	134 Å²	134	134.6 Å²	134.6	72%	0.717	74%	0.744	S	S	*	*			trans	71.4	157.1	164.4	-58.9	16.6	0	0	0	114.6
635	E	24.7	Very low	24.7	Very low	165 Å²	165	134.2 Å²	134.2	77%	0.771	75%	0.747	S	S	*	*			cis	-150	-162.9	2.8	-140	148.8	-118.2	0	0	112.7
636	C	22	Very low	24.8	Very low	110 Å²	110	133.8 Å²	133.8	74%	0.743	75%	0.75	S	S	*	*			trans	-59.4	170.4	171.7	-65.7	0	0	0	0	112.8
637	T	25.1	Very low	24.7	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	75%	0.752	S	S	*	*				-173.5	161.3	61.1	-50.4	0	0	0	0	112.5
638	F	23.2	Very low	24.8	Very low	196 Å²	196	134.7 Å²	134.7	86%	0.86	76%	0.758	S	S	*	*			trans	-56.4	147.2	165.1	-79.2	-109.4	0	0	0	112.9
639	S	24.3	Very low	24.6	Very low	130 Å²	130	135.3 Å²	135.3	91%	0.909	76%	0.762	S	S	*	*			trans	-169	168	139.3	-87.4	0	0	0	0	112.5
640	S	22.6	Very low	24.6	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	76%	0.762	S	S	*	*			trans	-107.7	-173.5	-165	53.4	0	0	0	0	114.9
641	S	24.7	Very low	24.5	Very low	121 Å²	121	132.3 Å²	132.3	85%	0.846	76%	0.762	S	S	*	*			trans	84.9	148.6	172.7	82.3	0	0	0	0	116.1
642	A	25.6	Very low	24.5	Very low	95 Å²	95	135 Å²	135	79%	0.785	77%	0.773	S	S	*	*			cis	-160	172.5	-13.9	0	0	0	0	0	111.6
643	I	28.5	Very low	24.5	Very low	152 Å²	152	132.1 Å²	132.1	78%	0.779	78%	0.779	S	S	*	*			trans	-89.5	146.1	-179	-30.2	175.8	0	0	0	111.2	T645	I643-T645 HydrophobicContact CG2-CG2 4.46Å
644	P	27.5	Very low	24.5	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	79%	0.787	S	S	*	*				-143.1	133.9	108	29.9	-12	0	0	0	113.3
645	T	25	Very low	24.6	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	80%	0.795	S	S	*	*				74.6	149.2	70.8	53.1	0	0	0	0	118.1	I643	I643-T645 HydrophobicContact CG2-CG2 4.46Å
646	N	27.7	Very low	24.7	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	80%	0.797	S	S	*	*			trans	75.4	118.8	-170.2	-58.8	-33.1	0	0	0	115.4
647	V	23.7	Very low	25	Very low	119 Å²	119	133.2 Å²	133.2	72%	0.721	80%	0.801	S	S	*	*			cis	83.8	102.5	26	-171.6	0	0	0	0	115.3
648	N	26.9	Very low	25.2	Very low	151 Å²	151	131.3 Å²	131.3	81%	0.807	79%	0.793	S	S	*	*				-167.4	160.4	119.2	-114.5	-55.7	0	0	0	114.8
649	L	22.7	Very low	25.5	Very low	161 Å²	161	128.7 Å²	128.7	84%	0.843	79%	0.785	S	S	*	*			trans	-67.2	165.3	170.8	-87.7	53.8	0	0	0	110.7
650	A	22.9	Very low	25.7	Very low	81 Å²	81	129.6 Å²	129.6	67%	0.669	77%	0.774	S	S	*	*			cis	-167.1	-179.3	38.5	0	0	0	0	0	114.2
651	T	23.5	Very low	25.9	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	76%	0.763	S	S	*	*			trans	78.6	110.5	154.3	6.5	0	0	0	0	120.5
652	F	21.5	Very low	25.9	Very low	188 Å²	188	130 Å²	130	83%	0.825	76%	0.757	S	S	*	*			trans	20.7	126	141.6	-71.7	-93.9	0	0	0	121
653	S	25.1	Very low	25.9	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	76%	0.755	S	S	*	*				-170.1	134.7	108.8	-80.3	0	0	0	0	112.6
654	H	24.9	Very low	25.7	Very low	177 Å²	177	130.3 Å²	130.3	82%	0.819	75%	0.754	S	S	*	*			trans	-85	148.7	162.6	-63.3	-87.6	0	0	0	110
655	S	25.1	Very low	25.7	Very low	126 Å²	126	128.9 Å²	128.9	88%	0.881	76%	0.759	S	S	*	*			trans	-156.9	118.1	148.8	-85.7	0	0	0	0	112.3
656	S	27.2	Very low	25.7	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	76%	0.758	S	S	*	*			trans	-73.2	165.6	176.5	-36.1	0	0	0	0	112.8
657	S	27.5	Very low	25.6	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	75%	0.753	S	S	*	*			trans	-160.9	149.2	138.2	52.2	0	0	0	0	111.9
658	S	29.8	Very low	25.7	Very low	92 Å²	92	131.8 Å²	131.8	64%	0.643	75%	0.754	S	S	*	*			cis	-169.3	-166.6	-27.3	-161.4	0	0	0	0	109.7
659	M	29.3	Very low	25.7	Very low	141 Å²	141	134.6 Å²	134.6	70%	0.695	76%	0.759	S	S	*	*			trans	79.9	125.1	168.9	-38.3	-81.2	93.4	0	0	115.1
660	H	27.8	Very low	25.9	Very low	149 Å²	149	134.2 Å²	134.2	69%	0.69	76%	0.756	S	S	*	*			cis	-173.6	154.2	-15.9	-107.1	-45.7	0	0	0	107.1
661	T	26.2	Very low	26.3	Very low	86 Å²	86	136 Å²	136	53%	0.528	76%	0.761	S	S	.	*			cis	-164.2	138.6	-12.9	-144	0	0	0	0	112.1
662	E	25	Very low	26.4	Very low	154 Å²	154	135.9 Å²	135.9	72%	0.72	77%	0.766	S	S	*	*			trans	59.1	165.1	139.8	-66.6	168.8	131.8	0	0	121.5
663	I	25.5	Very low	26.6	Very low	143 Å²	143	131 Å²	131	73%	0.733	76%	0.76	S	S	*	*			cis	-147.9	161.1	-3.2	-130.6	159.1	0	0	0	113.8
664	S	25.4	Very low	26.6	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	76%	0.758	S	S	*	*			trans	-10.1	148.4	162	-163	0	0	0	0	122.3
665	G	26.9	Very low	26.9	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	75%	0.753	S	S	*	*			trans	-166.6	63.5	173.9	0	0	0	0	0	116.6
666	Q	24.5	Very low	27.1	Very low	150 Å²	150	129.1 Å²	129.1	70%	0.701	75%	0.745	S	S	*	*			trans	-54	155.8	-174.2	-111.1	-176.2	18.1	0	0	119.1
667	K	27.2	Very low	27.2	Very low	160 Å²	160	131.8 Å²	131.8	70%	0.696	75%	0.75	S	S	*	*			trans	91.2	114.6	147	-74.9	157.3	174.7	142.9	0	121.8
668	N	25	Very low	27.3	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	74%	0.741	S	S	*	*				44.6	120.9	125.9	-52.3	6.5	0	0	0	120.3
669	F	26.8	Very low	27.2	Very low	211 Å²	211	134 Å²	134	93%	0.925	76%	0.755	S	S	*	*				-156	161.9	99.9	-109.9	-76.8	0	0	0	110.8
670	I	26.1	Very low	27	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	75%	0.751	S	S	*	*			trans	-116.9	-174.7	-174.4	-20.9	179.2	0	0	0	109.8
671	P	31.8	Very low	27	Very low	118 Å²	118	132.1 Å²	132.1	77%	0.766	76%	0.758	S	S	*	*				-110.9	-179.5	-113.2	41.9	-28.1	0	0	0	114.3
672	S	26	Very low	27.1	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	77%	0.767	S	S	*	*			trans	-140.7	151.1	148	55.4	0	0	0	0	109.9
673	A	25.2	Very low	27.1	Very low	86 Å²	86	137.9 Å²	137.9	71%	0.711	78%	0.775	S	S	*	*			trans	-122	166.3	-175.3	0	0	0	0	0	110.8
674	N	26.5	Very low	27	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	78%	0.777	S	S	*	*				-178	150.6	123.8	-89.4	-17.9	0	0	0	112.1
675	N	30	Very low	27	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	78%	0.78	S	S	*	*			trans	50.2	97	156.6	-52.2	-1.8	0	0	0	116
676	S	29.2	Very low	26.8	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	77%	0.774	S	S	*	*			cis	60	123.6	23.1	87.8	0	0	0	0	116.4
677	N	29.9	Very low	26.8	Very low	171 Å²	171	142.7 Å²	142.7	91%	0.914	78%	0.778	S	S	*	*				-140.9	118.5	129.7	-147.9	1.3	0	0	0	107.2
678	V	29.8	Very low	26.6	Very low	107 Å²	107	145.4 Å²	145.4	65%	0.648	78%	0.784	S	S	*	*			trans	-150.2	125.6	-164.5	168.4	0	0	0	0	108.8	N680	V678-N680 HydrophobicContact CG1-CB 3.64Å
679	T	26.5	Very low	26.5	Very low	151 Å²	151	144.6 Å²	144.6	93%	0.926	78%	0.78	S	S	*	*			trans	-96.3	85.5	166.8	41.4	0	0	0	0	110
680	N	26.7	Very low	26.3	Very low	117 Å²	117	140.5 Å²	140.5	63%	0.626	77%	0.772	S	S	*	*			trans	-124.1	109.8	172.1	-171.9	19.4	0	0	0	108.5	V678	V678-N680 HydrophobicContact CG1-CB 3.64Å
681	T	27.6	Very low	26.2	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	77%	0.768	S	S	*	*			trans	-110.3	91	-178.5	45.6	0	0	0	0	111.1
682	H	26.8	Very low	25.9	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.736	78%	0.776	S	S	*	*			trans	-57.8	145.2	145.9	-69	-97.7	0	0	0	108.5
683	F	25.1	Very low	25.8	Very low	201 Å²	201	139.8 Å²	139.8	88%	0.882	77%	0.767	S	S	*	*			trans	-163.9	115.6	138	-118.1	-79.3	0	0	0	113.3
684	V	23.6	Very low	25.8	Very low	128 Å²	128	142.7 Å²	142.7	78%	0.776	77%	0.766	S	S	*	*			trans	65.6	149.7	147.3	163.1	0	0	0	0	121.7
685	Q	26	Very low	25.7	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	76%	0.764	S	S	*	*			trans	-109.3	122.9	-175.4	171	-172.6	7.3	0	0	110.9
686	S	23.4	Very low	25.6	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	76%	0.761	S	S	*	*			trans	-152.7	119	161.7	52.1	0	0	0	0	106.8
687	K	23.3	Very low	25.4	Very low	179 Å²	179	144 Å²	144	78%	0.778	76%	0.761	S	S	*	*				52.6	148.7	61.2	-86.4	-153.1	171.3	-163.5	0	114.3
688	W	23.5	Very low	25.3	Very low	217 Å²	217	141.1 Å²	141.1	82%	0.822	75%	0.754	S	S	*	*			trans	87.2	65.2	-179.7	-56.3	92.9	0	0	0	116.6
689	D	22.5	Very low	25.3	Very low	122 Å²	122	143 Å²	143	65%	0.652	76%	0.756	S	S	*	*				64.8	144.8	110.5	-50.7	-24.9	0	0	0	123.4
690	T	23	Very low	25.3	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	75%	0.747	S	S	*	*			trans	91.4	144.7	141.5	25	0	0	0	0	123.2
691	T	24.1	Very low	25.4	Very low	112 Å²	112	145.2 Å²	145.2	69%	0.687	76%	0.756	S	S	*	*			trans	67.4	81.1	154.1	44.7	0	0	0	0	118.9	V693	T691-V693 HydrophobicContact CG2-CG2 3.9Å; T691-V693 PolarHBondContact O-N 3.16Å
692	V	25.1	Very low	25.3	Very low	156 Å²	156	143.5 Å²	143.5	95%	0.945	75%	0.75	S	S	*	*				-55.7	107	129	174.7	0	0	0	0	108.6
693	V	24.9	Very low	25.3	Very low	111 Å²	111	142.5 Å²	142.5	67%	0.673	75%	0.749	S	S	*	*			trans	-139.9	141.4	161.5	179.3	0	0	0	0	109.5	T691	T691-V693 HydrophobicContact CG2-CG2 3.9Å; T691-V693 PolarHBondContact O-N 3.16Å
694	E	24	Very low	25.4	Very low	147 Å²	147	139.2 Å²	139.2	69%	0.687	74%	0.741	S	S	*	*			trans	-47	179.2	-172.3	-37.6	176.3	126.1	0	0	120.5
695	K	25.7	Very low	25.7	Very low	169 Å²	169	140.4 Å²	140.4	74%	0.735	74%	0.742	S	S	*	*			trans	97.5	152.5	142.1	-86.3	172.8	177.9	129.1	0	118.8
696	P	27.2	Very low	25.8	Very low	102 Å²	102	140.3 Å²	140.3	66%	0.662	74%	0.742	S	S	*	*				-145.9	-164.3	-121.9	45.6	-23.8	0	0	0	115.3
697	I	23.9	Very low	25.9	Very low	137 Å²	137	138.8 Å²	138.8	70%	0.703	74%	0.735	S	S	*	*			trans	50.6	102	157.2	-59.4	161	0	0	0	117.4
698	S	29.5	Very low	26.1	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	74%	0.738	S	S	*	*			trans	-157.6	115.8	134.3	-43.6	0	0	0	0	105.9
699	H	28.8	Very low	26.3	Very low	148 Å²	148	130.3 Å²	130.3	69%	0.685	73%	0.726	S	S	*	*				56.6	114.7	89.3	-70.9	-51.9	0	0	0	112.9
700	D	26.5	Very low	26.5	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	73%	0.731	S	S	*	*				58.2	118.2	80.5	-60.1	-52.8	0	0	0	109.5
701	E	29.3	Very low	26.7	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	73%	0.732	S	S	*	*				-152.4	141.4	66.8	-90	-178.2	161	0	0	111.3
702	S	25.7	Very low	26.8	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	73%	0.731	S	S	*	*				74.9	146.7	101.3	107.3	0	0	0	0	114.8
703	L	27.1	Very low	26.8	Very low	138 Å²	138	131.7 Å²	131.7	72%	0.723	72%	0.719	S	S	*	*			cis	-157.1	165.6	7	-122.1	153.7	0	0	0	109.6
704	N	26.4	Very low	26.7	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	73%	0.728	S	S	*	*			trans	54.1	107	157.9	-66	-24.9	0	0	0	120.9
705	L	30.8	Very low	26.8	Very low	152 Å²	152	130.6 Å²	130.6	80%	0.796	74%	0.738	S	S	*	*				-175.4	95.4	107.3	-92.4	161.9	0	0	0	106.5
706	Q	27.4	Very low	26.8	Very low	175 Å²	175	129.8 Å²	129.8	82%	0.818	75%	0.747	S	S	*	*				63.5	125.8	83.9	-171.8	-176.8	1.8	0	0	113
707	A	25.7	Very low	26.8	Very low	70 Å²	70	128.7 Å²	128.7	58%	0.579	75%	0.754	S	S	*	*			cis	-177.6	164.2	-23.1	0	0	0	0	0	106.4
708	T	27.4	Very low	26.9	Very low	138 Å²	138	127.3 Å²	127.3	85%	0.847	76%	0.757	S	S	*	*			trans	60.9	153.6	155	47.8	0	0	0	0	119.4
709	S	26.4	Very low	26.7	Very low	80 Å²	80	127 Å²	127	56%	0.559	76%	0.755	S	S	*	*			cis	-168.6	173.3	-30.5	-153.9	0	0	0	0	109.5
710	E	27.5	Very low	26.5	Very low	163 Å²	163	127.1 Å²	127.1	76%	0.762	76%	0.757	S	S	*	*			trans	59.6	172.3	147.8	-77.6	141.6	-118	0	0	119.8
711	H	26.7	Very low	26.5	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.796	76%	0.757	S	S	*	*				-167.7	171.7	-58	-127.8	-129.9	0	0	0	108
712	V	26.8	Very low	26.1	Very low	110 Å²	110	125.1 Å²	125.1	67%	0.667	75%	0.753	S	S	*	*			trans	69.1	115	150	171.2	0	0	0	0	121.1
713	S	24.9	Very low	26.2	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	76%	0.763	S	S	*	*			trans	49.1	124.7	132.5	-51.5	0	0	0	0	125.8
714	C	23.2	Very low	26	Very low	127 Å²	127	127.1 Å²	127.1	86%	0.858	77%	0.766	S	S	*	*				32.1	118.6	125.5	-50.5	0	0	0	0	122.7
715	A	25.9	Very low	25.9	Very low	107 Å²	107	124.3 Å²	124.3	88%	0.884	76%	0.762	S	S	*	*			trans	-160.7	150.8	134.3	0	0	0	0	0	112
716	T	25.6	Very low	25.7	Very low	153 Å²	153	126.1 Å²	126.1	94%	0.939	77%	0.766	S	S	*	*			trans	-106.2	140	174.2	23.9	0	0	0	0	111.3
717	G	27	Very low	25.6	Very low	78 Å²	78	123.3 Å²	123.3	80%	0.804	77%	0.765	S	S	*	*			trans	-164.8	36.2	-166.3	0	0	0	0	0	121
718	S	25.9	Very low	25.7	Very low	109 Å²	109	127 Å²	127	76%	0.762	78%	0.781	S	S	*	*			trans	37.8	111	152.1	-163.9	0	0	0	0	122.6
719	S	26.4	Very low	25.5	Very low	105 Å²	105	125.7 Å²	125.7	73%	0.734	78%	0.777	S	S	*	*				92.6	153.7	125.9	77.3	0	0	0	0	124.6
720	M	24.2	Very low	25.6	Very low	149 Å²	149	128.6 Å²	128.6	73%	0.734	79%	0.791	S	S	*	*			trans	93.8	109.5	156.6	-61.7	-120.1	108.8	0	0	121.3
721	K	25.3	Very low	25.7	Very low	166 Å²	166	127.3 Å²	127.3	72%	0.722	79%	0.794	S	S	*	*			trans	74.6	90.9	137.2	-67.5	179.1	174.3	176.5	0	121.4
722	S	22.1	Very low	25.6	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	79%	0.789	S	S	*	*				38.8	112.1	118.7	62.7	0	0	0	0	120.6
723	V	27.6	Very low	25.7	Very low	149 Å²	149	126.3 Å²	126.3	90%	0.903	80%	0.801	S	S	*	*			trans	-134.2	148.9	144.5	-179	0	0	0	0	107.9
724	T	23.7	Very low	25.8	Very low	128 Å²	128	130.5 Å²	130.5	79%	0.785	81%	0.807	S	S	*	*			trans	-115.2	156.5	-170.9	-49	0	0	0	0	111.7
725	A	23.8	Very low	26.1	Very low	75 Å²	75	129.9 Å²	129.9	62%	0.62	80%	0.804	S	S	*	*			trans	73.9	164.4	165.1	0	0	0	0	0	115.9
726	H	27.1	Very low	26.1	Very low	189 Å²	189	132.5 Å²	132.5	88%	0.875	80%	0.803	S	S	*	*			cis	-132.6	163.8	9.7	-86	-84.9	0	0	0	113.8
727	S	24.2	Very low	26.3	Very low	116 Å²	116	128.9 Å²	128.9	81%	0.811	80%	0.795	S	S	*	*			trans	-85.9	157.5	175.3	-35.6	0	0	0	0	113.5
728	V	27.2	Very low	26.1	Very low	148 Å²	148	129.7 Å²	129.7	90%	0.897	79%	0.794	S	S	*	*			trans	-137.8	144.8	160.7	-177.3	0	0	0	0	109.1
729	S	25	Very low	26.1	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	79%	0.793	S	S	*	*			trans	-138	142.7	-171	61.9	0	0	0	0	114.1
730	V	27.7	Very low	26.1	Very low	141 Å²	141	130.7 Å²	130.7	86%	0.855	80%	0.796	S	S	*	*			trans	-150.4	126.5	171.2	178.7	0	0	0	0	107.4
731	V	28.7	Very low	26.2	Very low	136 Å²	136	129 Å²	129	82%	0.824	79%	0.794	S	S	*	*			cis	-150.5	177.8	-15.1	84.4	0	0	0	0	108.6
732	T	25.8	Very low	26.3	Very low	112 Å²	112	127.7 Å²	127.7	69%	0.687	80%	0.795	S	S	*	*			trans	-124.3	149.8	-178.6	57.8	0	0	0	0	114.3
733	T	28.4	Very low	26.5	Very low	148 Å²	148	129.1 Å²	129.1	91%	0.908	79%	0.794	S	S	*	*			trans	-127.2	149.9	149.9	43.8	0	0	0	0	110
734	K	26.7	Very low	26.7	Very low	188 Å²	188	130.1 Å²	130.1	82%	0.817	79%	0.789	S	S	*	*			trans	-138.6	138.2	-171.8	-78.1	-177.1	174.7	179.7	0	112.5
735	S	29.7	Very low	27	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	79%	0.788	S	S	*	*			trans	-175.2	112	146.4	47.4	0	0	0	0	107.5
736	N	26.3	Very low	27.2	Very low	162 Å²	162	132.3 Å²	132.3	87%	0.866	79%	0.789	S	S	*	*				66.3	120.6	66.4	-76.4	17.6	0	0	0	114.4
737	G	28.6	Very low	27.3	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	79%	0.786	S	S	*	*			trans	117.7	96.3	-174.4	0	0	0	0	0	110.2
738	A	23.7	Very low	27.4	Very low	95 Å²	95	132.2 Å²	132.2	79%	0.785	79%	0.787	S	S	*	*			cis	91.8	135.6	31.8	0	0	0	0	0	114.6
739	S	25.4	Very low	27.5	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	78%	0.779	S	S	*	*			trans	64.8	131.9	174.2	59.3	0	0	0	0	120.4
740	T	26.8	Very low	27.5	Very low	129 Å²	129	130.4 Å²	130.4	79%	0.791	78%	0.78	S	S	*	*			trans	61.6	148.1	144.2	47.6	0	0	0	0	120.2
741	V	25.6	Very low	27.4	Very low	113 Å²	113	128 Å²	128	69%	0.685	77%	0.77	S	S	*	*			cis	-169.4	179.4	-24.5	111.1	0	0	0	0	106.2
742	D	27.9	Very low	27.3	Very low	140 Å²	140	130 Å²	130	75%	0.749	77%	0.769	S	S	*	*			trans	69.8	116.6	179.3	-54.4	-35.2	0	0	0	115.1
743	D	27.4	Very low	27.3	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	77%	0.77	S	S	*	*				66.8	113.6	73	-90.8	-11.4	0	0	0	113.2
744	H	31.8	Very low	27.1	Very low	169 Å²	169	127.6 Å²	127.6	78%	0.782	77%	0.769	S	S	*	*				-161.2	151.5	72.7	-84.3	-48.1	0	0	0	114.3
745	N	28.3	Very low	27.2	Very low	142 Å²	142	124.1 Å²	124.1	76%	0.759	77%	0.768	S	S	*	*			trans	35.6	131	137.7	-117.1	-27.8	0	0	0	119.1
746	V	30	Very low	27.1	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.655	77%	0.768	S	S	*	*				-162.5	135	59.7	165.5	0	0	0	0	111.7
747	K	28.7	Very low	27.2	Very low	184 Å²	184	128.4 Å²	128.4	80%	0.8	77%	0.767	S	S	*	*			trans	44.6	117.9	158.6	-61.7	165.7	-173.2	176.7	0	118.3
748	S	25	Very low	27.3	Very low	119 Å²	119	128.2 Å²	128.2	83%	0.832	76%	0.758	S	S	*	*				62.5	128.5	72.4	-162.7	0	0	0	0	113.1
749	A	29.5	Very low	27.7	Very low	90 Å²	90	129.9 Å²	129.9	74%	0.744	76%	0.76	S	S	*	*			cis	-136.9	170.7	32.5	0	0	0	0	0	116.6
750	V	26.5	Very low	28	Very low	130 Å²	130	131.1 Å²	131.1	79%	0.788	75%	0.754	S	S	*	*			trans	-123.3	-178.9	175	173	0	0	0	0	107.8
751	S	24.2	Very low	28	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	75%	0.754	S	S	*	*			trans	91.8	121.8	171.7	80.8	0	0	0	0	114.5
752	H	26.5	Very low	28.3	Very low	176 Å²	176	134.7 Å²	134.7	82%	0.815	76%	0.758	S	S	*	*				68.5	146.9	84	-51.9	-39.6	0	0	0	112.4
753	A	25.9	Very low	28.3	Very low	84 Å²	84	132.6 Å²	132.6	69%	0.694	76%	0.76	S	S	*	*			cis	-168.7	174.9	-20.6	0	0	0	0	0	106.9	S755	A753-S755 PolarHBondContact O-N 3.33Å
754	S	25.2	Very low	28.2	Very low	127 Å²	127	132.3 Å²	132.3	89%	0.888	76%	0.764	S	S	*	*			trans	-1.8	107.5	161	-45.1	0	0	0	0	118.7
755	S	28.8	Very low	27.9	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	76%	0.76	S	S	*	*			trans	-156	141.9	147	-169.6	0	0	0	0	111.6	A753	A753-S755 PolarHBondContact O-N 3.33Å
756	L	26.6	Very low	27.9	Very low	150 Å²	150	132 Å²	132	79%	0.785	77%	0.766	S	S	*	*			trans	-68.8	151.3	160.5	-54.8	112	0	0	0	109.6
757	Y	28	Very low	27.8	Very low	216 Å²	216	131.5 Å²	131.5	85%	0.847	77%	0.768	S	S	*	*			trans	-169	147.5	130.1	-119.7	-79.7	0	0	0	111.3
758	A	31.1	Very low	27.8	Very low	72 Å²	72	129.8 Å²	129.8	60%	0.595	77%	0.767	S	S	*	*			trans	-81.3	152.1	177.3	0	0	0	0	0	112.4	Q760	A758-Q760 PolarHBondContact O-N 2.81Å; A758-Q760 VanDerWaalsContact O-N 3.14Å
759	P	33.1	Very low	28	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	76%	0.758	S	S	*	*			trans	-72.9	104.9	178.7	29	-34.1	0	0	0	112.1
760	Q	31.1	Very low	28	Very low	131 Å²	131	131.2 Å²	131.2	61%	0.612	76%	0.757	S	S	*	*			trans	-67.8	130.1	168.8	-82.8	-84.6	-14	0	0	111.4	A758 Y762	A758-Q760 PolarHBondContact O-N 2.81Å; A758-Q760 VanDerWaalsContact O-N 3.14Å; Q760-Y762 HydrophobicContact CB-CD2 3.83Å; Q760-Y762 HydrophobicContact CB-CE2 3.73Å; Q760-Y762 HydrophobicContact CG-CE2 4.14Å; Q760-Y762 PolarHBondContact O-N 2.96Å
761	P	27.9	Very low	28.2	Very low	122 Å²	122	131 Å²	131	79%	0.792	75%	0.751	S	S	*	*			trans	-86.3	93.2	174.4	33.6	-31.7	0	0	0	111
762	Y	29.9	Very low	28.5	Very low	196 Å²	196	132.9 Å²	132.9	77%	0.769	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-90	136.4	176.4	-87.9	-75.6	0	0	0	113.8	Q760	Q760-Y762 HydrophobicContact CB-CD2 3.83Å; Q760-Y762 HydrophobicContact CB-CE2 3.73Å; Q760-Y762 HydrophobicContact CG-CE2 4.14Å; Q760-Y762 PolarHBondContact O-N 2.96Å
763	A	29.4	Very low	28.6	Very low	96 Å²	96	131.7 Å²	131.7	79%	0.793	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-78	171.5	175.3	0	0	0	0	0	112.8
764	T	25	Very low	28.7	Very low	129 Å²	129	131.7 Å²	131.7	79%	0.791	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-86.2	164.8	-160.1	-24.4	0	0	0	0	115.1
765	I	25.6	Very low	28.9	Very low	139 Å²	139	132.2 Å²	132.2	71%	0.713	74%	0.74	S	S	*	*			trans	62.3	111.7	162.7	5	177.7	0	0	0	118.4
766	N	28.6	Very low	28.9	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	74%	0.737	S	S	*	*				-162.7	152	96	-95.7	-17.6	0	0	0	112.3
767	S	26.9	Very low	29	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	74%	0.743	S	S	*	*			trans	-135.4	128.1	-173.5	56.6	0	0	0	0	111.2
768	D	29.4	Very low	29	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	74%	0.736	S	S	*	*			trans	-155.6	107.3	154.5	-98.7	-40.5	0	0	0	108
769	T	29.5	Very low	28.7	Very low	105 Å²	105	133.4 Å²	133.4	64%	0.644	75%	0.748	S	S	*	*				73.1	118	83.6	64.9	0	0	0	0	114.3
770	N	29.4	Very low	28.4	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	74%	0.738	S	S	*	*				-175.7	140.8	118	-99.7	-59.4	0	0	0	114.6
771	N	29.4	Very low	28.2	Very low	125 Å²	125	132.4 Å²	132.4	67%	0.668	74%	0.743	S	S	*	*			trans	63.5	90.1	142.6	-60.2	-18.1	0	0	0	121.6
772	N	31.1	Very low	28.3	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	74%	0.737	S	S	*	*				156.7	115.1	95.3	-82.3	-13.3	0	0	0	111.6
773	I	28.8	Very low	28.1	Very low	151 Å²	151	126.5 Å²	126.5	77%	0.774	73%	0.733	S	S	*	*				76	123.8	83.3	-74.2	175	0	0	0	112.3
774	S	27.7	Very low	28	Very low	83 Å²	83	130.9 Å²	130.9	58%	0.58	74%	0.735	S	S	*	*			cis	-166.7	-166.2	-6.7	58.2	0	0	0	0	111.8
775	N	30.8	Very low	28.1	Very low	139 Å²	139	133.7 Å²	133.7	74%	0.743	74%	0.736	S	S	*	*			trans	83.7	78.1	167.7	-52.1	-4.8	0	0	0	113.9
776	D	26.8	Very low	28.2	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	74%	0.741	S	S	*	*				53.8	110.3	71.3	-76.4	-59.7	0	0	0	115.7
777	T	30.7	Very low	28	Very low	146 Å²	146	129.7 Å²	129.7	90%	0.896	73%	0.729	S	S	*	*				-148.6	117.8	113.6	-31.2	0	0	0	0	110.1
778	K	26.6	Very low	28	Very low	165 Å²	165	130.5 Å²	130.5	72%	0.717	72%	0.723	S	S	*	*			trans	-85.6	165.2	173.3	-104.7	172.5	177.5	169.2	0	111.3	T780	K778-T780 HydrophobicContact CD-CG2 4.46Å
779	P	25.8	Very low	28	Very low	128 Å²	128	126.8 Å²	126.8	83%	0.831	70%	0.701	S	S	*	*				-122.7	122.9	119.4	33.8	-31.1	0	0	0	114
780	T	26.8	Very low	27.9	Very low	105 Å²	105	125.8 Å²	125.8	64%	0.644	69%	0.692	S	S	*	*			trans	-61.7	174	149	33.1	0	0	0	0	110.8	K778	K778-T780 HydrophobicContact CD-CG2 4.46Å
781	L	27.4	Very low	27.8	Very low	135 Å²	135	125.3 Å²	125.3	71%	0.707	69%	0.689	S	S	*	*				-176.5	163.6	53.3	-163	68.7	0	0	0	113.2
782	N	28.1	Very low	27.6	Very low	128 Å²	128	123.5 Å²	123.5	68%	0.684	69%	0.687	S	S	*	*			trans	90.2	134.4	162.7	-61.6	-43.7	0	0	0	116.8
783	G	26.5	Very low	27.4	Very low	66 Å²	66	123.8 Å²	123.8	68%	0.68	69%	0.687	S	S	*	*			cis	141.2	150.3	1.9	0	0	0	0	0	108.8
784	F	27.2	Very low	27.1	Very low	187 Å²	187	124.8 Å²	124.8	82%	0.82	69%	0.686	S	S	*	*			cis	-140.7	157.7	0.6	-68.6	-110.8	0	0	0	106.2
785	K	27.1	Very low	26.8	Very low	188 Å²	188	127.6 Å²	127.6	82%	0.817	69%	0.693	S	S	*	*			cis	82	82.2	21	-151.3	-167.9	-174.1	-169.9	0	117.8
786	S	27.1	Very low	26.5	Very low	119 Å²	119	125.7 Å²	125.7	83%	0.832	69%	0.686	S	S	*	*			trans	-168	165.9	144.7	52.1	0	0	0	0	112
787	V	25.8	Very low	26.3	Very low	103 Å²	103	125.6 Å²	125.6	62%	0.624	69%	0.686	S	S	*	*				-172.3	133.3	-58.2	123.9	0	0	0	0	110.1
788	M	26.7	Very low	26.1	Very low	114 Å²	114	123.4 Å²	123.4	56%	0.562	68%	0.677	S	S	*	*			trans	63	156.4	158.6	-67.1	164.8	162.3	0	0	117.3	T598	T598-M788 VanDerWaalsContact O-CB 3.3Å; T598-M788 WeakPolarHBondContact O-CB 3.3Å
789	E	28.7	Very low	26	Very low	69 Å²	69	121.5 Å²	121.5	32%	0.322	68%	0.679	S	S	.	*			cis	-163	-168.6	-3.7	-130.4	161	-125.9	0	0	116	N597 T598 T599	N597-E789 WeakPolarHBondContact CA-OE1 2.93Å; N597-E789 WeakPolarHBondContact CA-OE2 3.33Å; N597-E789 WeakPolarHBondContact CB-OE2 3.22Å; N597-E789 VanDerWaalsContact CG-OE2 3.31Å; N597-E789 VanDerWaalsContact ND2-CD 3.32Å; N597-E789 PolarHBondContact ND2-OE2 3.24Å; T598-E789 WeakPolarHBondContact CA-OE2 3.39Å; T598-E789 PolarHBondContact N-OE1 2.83Å; T598-E789 PolarHBondContact N-OE2 3.44Å; T599-E789 PolarHBondContact N-OE2 3.25Å
790	D	28.4	Very low	26	Very low	84 Å²	84	119.7 Å²	119.7	45%	0.449	67%	0.669	S	S	.	*			trans	92.2	96.6	153.2	-71.7	-15.1	0	0	0	122.5	T599	T599-D790 WeakPolarHBondContact CB-OD2 3.38Å; T599-D790 WeakPolarHBondContact CG2-OD2 3.07Å; T599-D790 PolarHBondContact OG1-OD2 3.08Å
791	D	26.9	Very low	26	Very low	125 Å²	125	122.1 Å²	122.1	67%	0.668	68%	0.677	S	S	*	*				47.6	99.4	107.9	-87	14.1	0	0	0	121.7
792	S	25.7	Very low	26	Very low	88 Å²	88	120.6 Å²	120.6	62%	0.615	68%	0.678	S	S	*	*				72.5	166.3	109.8	92.3	0	0	0	0	121.8
793	L	25.3	Very low	25.8	Very low	138 Å²	138	119.3 Å²	119.3	72%	0.723	68%	0.678	S	S	*	*			trans	57.3	100.3	159.8	-66.5	167.4	0	0	0	117.3
794	K	22.6	Very low	26	Very low	171 Å²	171	121.7 Å²	121.7	74%	0.743	68%	0.682	S	S	*	*				87.3	147.4	85.6	-112.4	-168.9	-166	168.9	0	113.3
795	I	22.8	Very low	26	Very low	142 Å²	142	117.4 Å²	117.4	73%	0.728	68%	0.675	S	S	*	*			trans	68.2	137.7	157.4	-66.1	163.9	0	0	0	114.1
796	T	23.2	Very low	26.1	Very low	99 Å²	99	114 Å²	114	61%	0.607	67%	0.671	S	S	*	*			cis	-164.8	174.1	-28.5	40.2	0	0	0	0	105
797	N	23.7	Very low	26.3	Very low	137 Å²	137	115.4 Å²	115.4	73%	0.733	67%	0.667	S	S	*	*			trans	46.7	108.7	151.1	-53.4	-17.6	0	0	0	116.2
798	S	25.3	Very low	26.4	Very low	100 Å²	100	114.9 Å²	114.9	70%	0.699	67%	0.668	S	S	*	*				-164.8	149.4	77	-74.9	0	0	0	0	110.1
799	T	24.3	Very low	26.6	Very low	125 Å²	125	115.7 Å²	115.7	77%	0.767	68%	0.679	S	S	*	*				44.5	117.9	84.6	-10.8	0	0	0	0	110.4
800	S	25.8	Very low	26.6	Very low	90 Å²	90	117.3 Å²	117.3	63%	0.629	70%	0.698	S	S	*	*				-174	163.4	53.2	54.2	0	0	0	0	113.6
801	I	26.6	Very low	26.7	Very low	156 Å²	156	120.5 Å²	120.5	80%	0.8	72%	0.716	S	S	*	*			trans	59.6	129.3	137.9	-70.1	164.6	0	0	0	118.5
802	S	27.8	Very low	26.7	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	71%	0.711	S	S	*	*			cis	-166.6	167	-9.2	54	0	0	0	0	111.8
803	S	25	Very low	26.9	Very low	100 Å²	100	122.4 Å²	122.4	70%	0.699	72%	0.718	S	S	*	*			trans	-60.9	172.4	168.3	-31.7	0	0	0	0	113.9
804	P	30.6	Very low	26.9	Very low	117 Å²	117	124.1 Å²	124.1	76%	0.76	72%	0.722	S	S	*	*				-118.6	141.3	104.2	36.2	-35	0	0	0	111.1
805	S	26.7	Very low	27.3	Very low	96 Å²	96	122 Å²	122	67%	0.671	73%	0.728	S	S	*	*			cis	66.6	144	34.1	88.5	0	0	0	0	114
806	T	29	Very low	27.5	Very low	118 Å²	118	126.5 Å²	126.5	72%	0.724	74%	0.736	S	S	*	*			cis	-103.9	-145.4	-6.5	46.4	0	0	0	0	109
807	I	31.9	Very low	28	Very low	148 Å²	148	129.7 Å²	129.7	76%	0.759	75%	0.748	S	S	*	*			cis	-134.3	122.4	6.4	-66.9	176.6	0	0	0	104.4
808	S	27.1	Very low	28.3	Very low	92 Å²	92	131.8 Å²	131.8	64%	0.643	75%	0.75	S	S	*	*				81.8	146.6	67.1	-52.7	0	0	0	0	114.9
809	T	32.1	Very low	28.4	Very low	130 Å²	130	131.8 Å²	131.8	80%	0.798	75%	0.748	S	S	*	*			trans	63.7	127	-174.3	69.1	0	0	0	0	116.2
810	S	27.1	Very low	29	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	76%	0.755	S	S	*	*			cis	77.2	73.3	7.5	94.7	0	0	0	0	118.3
811	D	30.8	Very low	29	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	75%	0.754	S	S	*	*			trans	-164.6	134.9	140.2	-96.8	-43.9	0	0	0	106.6
812	S	27.3	Very low	29.1	Very low	82 Å²	82	134.9 Å²	134.9	57%	0.573	76%	0.76	S	S	*	*			cis	90.7	147.9	47.9	94.1	0	0	0	0	113.7
813	F	29.4	Very low	29	Very low	171 Å²	171	135.9 Å²	135.9	75%	0.75	76%	0.761	S	S	*	*			trans	58.7	105.9	179.3	-69.1	-84.9	0	0	0	121.1
814	Q	26.7	Very low	29.1	Very low	173 Å²	173	137 Å²	137	81%	0.808	76%	0.764	S	S	*	*				34.9	108.2	124.4	-58	178.8	1.6	0	0	119.1
815	S	31.1	Very low	28.9	Very low	127 Å²	127	140 Å²	140	89%	0.888	77%	0.765	S	S	*	*				-164.5	150.7	121.4	43.7	0	0	0	0	115.2
816	R	26.1	Very low	28.9	Very low	237 Å²	237	141.6 Å²	141.6	89%	0.894	77%	0.771	S	S	*	*			trans	-68.4	138.8	-178.1	-52.3	154.7	176.9	-175.8	-3.1	111.9
817	I	34	Very low	28.9	Very low	165 Å²	165	140.1 Å²	140.1	85%	0.846	77%	0.765	S	S	*	*			trans	-167.2	95.2	136	-92.7	141.3	0	0	0	106
818	K	29	Very low	28.8	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.787	76%	0.763	S	S	*	*				78.1	100.2	83.3	-156.9	-176.7	-166.2	-172.2	0	112.6
819	P	28.3	Very low	28.8	Very low	101 Å²	101	142.8 Å²	142.8	66%	0.656	77%	0.766	S	S	*	*			trans	-73.5	155.3	173.3	32.2	-35.2	0	0	0	111.4	S821	P819-S821 PolarHBondContact O-N 3.19Å; P819-S821 VanDerWaalsContact O-N 3.14Å
820	P	36.7	Very low	28.7	Very low	139 Å²	139	142.9 Å²	142.9	90%	0.903	76%	0.762	S	S	*	*			trans	-66.7	113.4	174.7	28.2	-33.4	0	0	0	109.9
821	S	25.8	Very low	28.8	Very low	87 Å²	87	146.7 Å²	146.7	61%	0.608	77%	0.766	S	S	*	*			trans	-118	131.4	175.3	33.4	0	0	0	0	108.8	P819	P819-S821 PolarHBondContact O-N 3.19Å; P819-S821 VanDerWaalsContact O-N 3.14Å
822	F	29.7	Very low	28.6	Very low	210 Å²	210	146.2 Å²	146.2	92%	0.921	76%	0.762	S	S	*	*			trans	-139.5	120.8	169.4	-113.1	-84.4	0	0	0	109.3
823	T	24.8	Very low	28.5	Very low	125 Å²	125	146.9 Å²	146.9	77%	0.767	77%	0.766	S	S	*	*			trans	-144.3	103.6	-170.4	-45.8	0	0	0	0	111.3
824	V	27.1	Very low	28.4	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	77%	0.766	S	S	*	*			trans	-144.2	104.5	168.1	-170.3	0	0	0	0	105
825	K	26.1	Very low	28.4	Very low	178 Å²	178	142.3 Å²	142.3	77%	0.774	76%	0.764	S	S	*	*				51.8	130.5	93	-61.2	-178.2	-179.2	-177.7	0	112.5
826	T	27.1	Very low	28.1	Very low	130 Å²	130	146.1 Å²	146.1	80%	0.798	77%	0.765	S	S	*	*			cis	-170.6	167.4	5.1	11.9	0	0	0	0	106.7
827	S	29.2	Very low	28.1	Very low	87 Å²	87	141.3 Å²	141.3	61%	0.608	76%	0.762	S	S	*	*			cis	-173.2	169.7	2	41.6	0	0	0	0	109.4
828	D	28.5	Very low	27.7	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	76%	0.762	S	S	*	*			trans	47.1	147.1	139.4	-58.1	2.4	0	0	0	122.2
829	F	28.5	Very low	27.6	Very low	163 Å²	163	136.7 Å²	136.7	72%	0.715	76%	0.761	S	S	*	*			cis	-167.1	156.3	-19.5	-120.5	-56.3	0	0	0	109.1
830	N	29.8	Very low	27.5	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	77%	0.769	S	S	*	*			trans	25.5	118.3	151.4	-65.2	-23	0	0	0	121.6
831	K	28.5	Very low	26.9	Very low	184 Å²	184	138.5 Å²	138.5	80%	0.8	77%	0.767	S	S	*	*				176	121.4	98.7	-95	-174.9	-179.9	176.3	0	115.8
832	I	26.6	Very low	27	Very low	142 Å²	142	142.9 Å²	142.9	73%	0.728	78%	0.775	S	S	*	*				62.7	121.6	127.7	-59.4	172.2	0	0	0	121.1
833	S	26.2	Very low	26.9	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	77%	0.771	S	S	*	*			trans	90.6	123.6	145.1	71.5	0	0	0	0	123.4
834	T	27.8	Very low	26.9	Very low	121 Å²	121	140 Å²	140	74%	0.742	77%	0.77	S	S	*	*			trans	68.3	123.2	139.6	46.8	0	0	0	0	123.5
835	T	26.2	Very low	27	Very low	126 Å²	126	143.3 Å²	143.3	77%	0.773	78%	0.777	S	S	*	*			trans	72.6	96.3	146	43.7	0	0	0	0	121.8
836	K	23.9	Very low	27	Very low	208 Å²	208	138.8 Å²	138.8	90%	0.904	77%	0.768	S	S	*	*				66.2	73	120.4	-139.5	-179.9	-168.8	-177.9	0	118.4
837	V	27	Very low	26.9	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	77%	0.771	S	S	*	*			trans	-131.1	141.1	155.1	178.6	0	0	0	0	110
838	T	24.9	Very low	26.9	Very low	139 Å²	139	141 Å²	141	85%	0.853	76%	0.759	S	S	*	*			trans	-92.7	136.3	174.9	48.6	0	0	0	0	111.6
839	S	26.7	Very low	27	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	75%	0.75	S	S	*	*			trans	-145	133.4	176.8	55.5	0	0	0	0	113.6
840	T	25.9	Very low	26.9	Very low	135 Å²	135	135.6 Å²	135.6	83%	0.828	74%	0.742	S	S	*	*			trans	-71.7	148.5	165.4	46.7	0	0	0	0	111.7
841	V	25.3	Very low	26.8	Very low	142 Å²	142	137.2 Å²	137.2	86%	0.861	75%	0.745	S	S	*	*			trans	-106.5	144.1	162.5	-179.2	0	0	0	0	108.7
842	K	26.6	Very low	26.6	Very low	179 Å²	179	133.7 Å²	133.7	78%	0.778	74%	0.739	S	S	*	*			trans	-94.5	166.6	-179.3	-65.5	-178.5	177.8	-178.7	0	111.6
843	V	28.3	Very low	26.5	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	74%	0.736	S	S	*	*			trans	-111.8	149.8	144	-180	0	0	0	0	106.9
844	D	25.5	Very low	26.4	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	74%	0.74	S	S	*	*			trans	-70.3	179.2	-179.4	-60.9	-72.8	0	0	0	111.2
845	E	29.5	Very low	26.3	Very low	192 Å²	192	136.3 Å²	136.3	90%	0.897	74%	0.736	S	S	*	*			cis	-156.7	175.6	30.1	-157.8	162.8	-139.2	0	0	111.8
846	S	24.4	Very low	26.4	Very low	84 Å²	84	136.1 Å²	136.1	59%	0.587	73%	0.73	S	S	*	*			trans	-111.6	149.1	-173.2	56.8	0	0	0	0	113
847	F	26.5	Very low	26.5	Very low	194 Å²	194	132.2 Å²	132.2	85%	0.851	72%	0.719	S	S	*	*				-178.3	161.9	116.8	-103.5	-73.8	0	0	0	113.8
848	N	28.1	Very low	26.6	Very low	70 Å²	70	131.9 Å²	131.9	37%	0.374	71%	0.713	S	S	.	*			trans	-95.1	175.8	170.9	-83.1	-35.2	0	0	0	108.7	A894 S895	N848-A894 WeakPolarHBondContact OD1-CB 3.39Å; N848-S895 PolarHBondContact OD1-N 3.38Å
849	P	30.7	Very low	26.6	Very low	80 Å²	80	130.2 Å²	130.2	52%	0.519	70%	0.702	S	S	.	*			cis	-161.4	-170.8	37.3	44.9	-20.9	0	0	0	120.3
850	N	26.6	Very low	26.5	Very low	102 Å²	102	131.4 Å²	131.4	55%	0.545	70%	0.704	S	S	.	*			trans	73.5	132.4	138	-78.3	-6.9	0	0	0	123.7	S895	N850-S895 PolarHBondContact N-OG 3.38Å
851	H	26.9	Very low	26.5	Very low	166 Å²	166	129 Å²	129	77%	0.769	69%	0.693	S	S	*	*			trans	66.2	153	138.8	-78.9	-64.8	0	0	0	118.4
852	V	25.1	Very low	26.5	Very low	109 Å²	109	129.1 Å²	129.1	66%	0.661	69%	0.689	S	S	*	*			cis	-159.8	152.5	-14.6	83.4	0	0	0	0	112.1
853	I	24.4	Very low	26.5	Very low	131 Å²	131	125.1 Å²	125.1	67%	0.672	68%	0.684	S	S	*	*			trans	41	115.7	146.4	-72.6	168.6	0	0	0	121.7
854	Q	24.7	Very low	26.3	Very low	160 Å²	160	127.4 Å²	127.4	75%	0.748	68%	0.683	S	S	*	*			trans	63.5	151.8	135.9	-67.3	178	-26.6	0	0	124
855	N	25.8	Very low	26.3	Very low	124 Å²	124	128.7 Å²	128.7	66%	0.663	68%	0.684	S	S	*	*			trans	72.3	139.7	155.3	-62.7	-10.6	0	0	0	117.9
856	N	26.8	Very low	26.5	Very low	121 Å²	121	125.4 Å²	125.4	65%	0.647	68%	0.677	S	S	*	*			cis	-159.5	157.3	-8.9	-118.9	-11.3	0	0	0	112.9
857	N	27.2	Very low	26.8	Very low	127 Å²	127	126.4 Å²	126.4	68%	0.679	68%	0.682	S	S	*	*			trans	67.2	138.8	162.5	-51.4	-14.8	0	0	0	117.3
858	N	28.1	Very low	26.8	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	68%	0.68	S	S	*	*			cis	-139.4	135.4	-16.5	-99.3	-28.1	0	0	0	107.7
859	T	25.4	Very low	26.7	Very low	103 Å²	103	126.4 Å²	126.4	63%	0.632	69%	0.692	S	S	*	*				81.9	132.6	58.7	-54	0	0	0	0	112
860	V	25.8	Very low	26.6	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	70%	0.703	S	S	*	*			trans	59	145.7	173.3	-69.9	0	0	0	0	119.1
861	S	25.4	Very low	26.6	Very low	85 Å²	85	132 Å²	132	59%	0.594	71%	0.709	S	S	*	*			cis	-173.1	-175	-19.5	55.9	0	0	0	0	111.5
862	N	25.5	Very low	26.6	Very low	144 Å²	144	128.9 Å²	128.9	77%	0.77	71%	0.706	S	S	*	*				17.9	140.4	124.7	-52.8	-3.6	0	0	0	117.1
863	S	25.1	Very low	27.8	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	71%	0.707	S	S	*	*			cis	178.5	-174.3	8	41.4	0	0	0	0	109.2	H865	S863-H865 PolarHBondContact O-N 2.67Å
864	F	23.9	Very low	28.1	Very low	186 Å²	186	130.4 Å²	130.4	82%	0.816	72%	0.716	S	S	*	*			trans	-8.7	122.4	140.4	-60.5	-102.1	0	0	0	113.5
865	H	26.9	Very low	28.4	Very low	165 Å²	165	131.6 Å²	131.6	76%	0.764	72%	0.719	S	S	*	*				-162.4	144	75.8	-109.7	-83.9	0	0	0	115	S863	S863-H865 PolarHBondContact O-N 2.67Å
866	T	33.5	Very low	28.6	Very low	123 Å²	123	132 Å²	132	76%	0.755	72%	0.72	S	S	*	*			trans	-67.4	146.7	144.7	48.5	0	0	0	0	109.5
867	P	30.2	Very low	28.7	Very low	106 Å²	106	132.5 Å²	132.5	69%	0.688	72%	0.722	S	S	*	*				-143.3	163.4	104.6	40.1	-27.6	0	0	0	115.7
868	E	26.8	Very low	29	Very low	173 Å²	173	131.7 Å²	131.7	81%	0.808	73%	0.727	S	S	*	*			trans	42.3	109.8	139.5	-65.8	165.8	171.7	0	0	119.1
869	S	26.6	Very low	29.4	Very low	90 Å²	90	130.6 Å²	130.6	63%	0.629	73%	0.726	S	S	*	*				90.2	151.5	54.9	78.6	0	0	0	0	114.2
870	I	28.1	Very low	29.7	Very low	145 Å²	145	132.3 Å²	132.3	74%	0.744	73%	0.727	S	S	*	*			trans	69.8	120.3	165.6	-62.7	167	0	0	0	113.4
871	K	27	Very low	29.9	Very low	155 Å²	155	133 Å²	133	67%	0.674	72%	0.719	S	S	*	*			cis	-158.5	144.7	5.4	-128.8	173.4	-163.5	169.6	0	110.8	H873	K871-H873 WeakPolarHBondContact O-CB 3.11Å; K871-H873 PolarHBondContact O-CD2 3.35Å; K871-H873 PolarHBondContact O-N 3.17Å
872	S	27.1	Very low	30.2	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	72%	0.722	S	S	*	*			trans	42.6	-127.6	154.4	37.1	0	0	0	0	115.7
873	H	49.4	Very low	30.4	Very low	148 Å²	148	134.4 Å²	134.4	69%	0.685	72%	0.72	S	S	*	*			trans	49.5	68.8	155.1	-47.5	-44.5	0	0	0	118	K871 K875	K871-H873 WeakPolarHBondContact O-CB 3.11Å; K871-H873 PolarHBondContact O-CD2 3.35Å; K871-H873 PolarHBondContact O-N 3.17Å; H873-K875 PolarHBondContact O-N 2.81Å; H873-K875 VanDerWaalsContact O-N 3.08Å
874	S	31.7	Very low	30.7	Very low	124 Å²	124	134.5 Å²	134.5	87%	0.867	73%	0.727	S	S	*	*			trans	-49.8	104.5	166.3	52.2	0	0	0	0	114.2
875	K	29.1	Very low	30.8	Very low	184 Å²	184	130.4 Å²	130.4	80%	0.8	72%	0.721	S	S	*	*			trans	-171.5	161.5	173.3	-97.1	-163.3	176.8	-172.7	0	107.4	H873	H873-K875 PolarHBondContact O-N 2.81Å; H873-K875 VanDerWaalsContact O-N 3.08Å
876	I	30.3	Very low	31	Very low	133 Å²	133	127 Å²	127	68%	0.682	72%	0.716	S	S	*	*			cis	-155	176.4	-25.2	-126.2	173.6	0	0	0	107.6
877	D	28.6	Very low	30.8	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	72%	0.72	S	S	*	*			trans	-55.5	163.6	-175.9	-50.9	-100.3	0	0	0	119.2
878	S	33.8	Very low	31.1	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	72%	0.723	S	S	*	*			trans	80.1	158.9	136.5	-80.4	0	0	0	0	121.1
879	P	38	Very low	31.5	Very low	106 Å²	106	125 Å²	125	69%	0.688	72%	0.718	S	S	*	*			cis	-145.8	-173.2	-29.6	39.1	-20.2	0	0	0	116.3
880	E	30.4	Very low	31.5	Very low	139 Å²	139	128.4 Å²	128.4	65%	0.65	73%	0.727	S	S	*	*			trans	77.9	120.7	149.8	-63.5	-145.3	143.2	0	0	123.5
881	K	29.5	Very low	31.4	Very low	149 Å²	149	126.6 Å²	126.6	65%	0.648	73%	0.727	S	S	*	*				63.6	138.5	127.1	-65.6	176.3	-175.5	155.2	0	119.6
882	N	32.3	Very low	31.3	Very low	122 Å²	122	124.2 Å²	124.2	65%	0.652	73%	0.729	S	S	*	*			cis	-162.2	148.3	18.4	-109.3	-16.6	0	0	0	113.1
883	N	30.7	Very low	31.3	Very low	138 Å²	138	124.6 Å²	124.6	74%	0.738	73%	0.732	S	S	*	*			trans	52.9	127.2	138.6	-56.3	-16	0	0	0	124.9
884	A	30	Very low	30.2	Very low	97 Å²	97	120 Å²	120	80%	0.802	72%	0.719	S	S	*	*			trans	71.5	154.2	132.7	0	0	0	0	0	121.1
885	S	26.6	Very low	30	Very low	100 Å²	100	116.4 Å²	116.4	70%	0.699	69%	0.694	S	S	*	*			cis	-168.1	177.7	-25.2	58.5	0	0	0	0	111.8
886	S	31.6	Very low	30	Very low	94 Å²	94	112.9 Å²	112.9	66%	0.657	69%	0.688	S	S	*	*			trans	65.4	101.3	148.2	52.5	0	0	0	0	122.3
887	T	28.1	Very low	29.9	Very low	137 Å²	137	112.7 Å²	112.7	84%	0.84	69%	0.693	S	S	*	*				51.3	152.5	123.3	36.2	0	0	0	0	125
888	P	36.6	Very low	29.8	Very low	115 Å²	115	109.8 Å²	109.8	75%	0.747	69%	0.694	S	S	*	*			trans	-100.9	-176	-173.8	45.4	-39.3	0	0	0	113.5
889	P	35	Very low	29.5	Very low	107 Å²	107	112.5 Å²	112.5	70%	0.695	70%	0.698	S	S	*	*				-160	162.5	86.8	43	-22.6	0	0	0	119.7
890	I	26.8	Very low	28.9	Very low	162 Å²	162	118.3 Å²	118.3	83%	0.831	71%	0.706	S	S	*	*			trans	52.3	146.5	133.8	-62.1	168.1	0	0	0	123.3
891	S	27.2	Very low	28.9	Very low	106 Å²	106	117.4 Å²	117.4	74%	0.741	71%	0.712	S	S	*	*			trans	81.9	149.7	155.4	159.3	0	0	0	0	119.9
892	C	24.2	Very low	29.2	Very low	106 Å²	106	116.3 Å²	116.3	72%	0.716	72%	0.72	S	S	*	*			cis	-175.8	143	-32.8	-106.7	0	0	0	0	110.7
893	S	26.4	Very low	29	Very low	108 Å²	108	116.4 Å²	116.4	76%	0.755	73%	0.731	S	S	*	*			trans	56.9	168.9	158.7	48	0	0	0	0	120
894	A	27.6	Very low	28.9	Very low	52 Å²	52	112.8 Å²	112.8	43%	0.43	73%	0.726	S	S	.	*			cis	-168.3	-164.2	-39.8	0	0	0	0	0	110	N848	N848-A894 WeakPolarHBondContact OD1-CB 3.39Å
895	S	27.6	Very low	28.8	Very low	49 Å²	49	116 Å²	116	34%	0.343	73%	0.728	S	S	.	*			trans	77.9	131.1	176.5	76	0	0	0	0	118.2	N848 N850	N848-S895 PolarHBondContact OD1-N 3.38Å; N850-S895 PolarHBondContact N-OG 3.38Å
896	V	29.2	Very low	28.9	Very low	110 Å²	110	120.9 Å²	120.9	67%	0.667	74%	0.737	S	S	*	*			cis	85.4	124.1	45.3	164.1	0	0	0	0	111.7
897	T	27.9	Very low	28.7	Very low	129 Å²	129	120.6 Å²	120.6	79%	0.791	74%	0.74	S	S	*	*			cis	-160	143.7	-1.1	17.2	0	0	0	0	113
898	G	26	Very low	28.9	Very low	69 Å²	69	119.4 Å²	119.4	71%	0.711	74%	0.735	S	S	*	*			trans	73.9	139.5	135.6	0	0	0	0	0	121.4
899	I	26.9	Very low	28.3	Very low	167 Å²	167	119.2 Å²	119.2	86%	0.856	74%	0.736	S	S	*	*				178.3	127.3	123.5	-91.2	158.3	0	0	0	110.8
900	R	26.2	Very low	28.2	Very low	229 Å²	229	121 Å²	121	86%	0.864	74%	0.739	S	S	*	*			trans	41.3	119.9	150.4	-163	178.5	-167.1	168.5	2.9	121.3
901	P	30.9	Very low	28.3	Very low	119 Å²	119	119 Å²	119	77%	0.773	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-89.1	159.6	167.9	37	-34.8	0	0	0	113.5
902	P	34.6	Very low	28.4	Very low	126 Å²	126	119.6 Å²	119.6	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-103.3	150.7	161.2	36.5	-29.3	0	0	0	113.1
903	S	29.8	Very low	28.7	Very low	124 Å²	124	120.4 Å²	120.4	87%	0.867	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-83.8	158.2	178.7	51.9	0	0	0	0	114.7
904	G	28	Very low	28.8	Very low	62 Å²	62	123 Å²	123	64%	0.639	73%	0.73	S	S	*	*			trans	158.4	136.1	142.9	0	0	0	0	0	118.2
905	I	28	Very low	28.9	Very low	166 Å²	166	129 Å²	129	85%	0.851	75%	0.751	S	S	*	*			trans	68.6	130.4	138.7	-58.8	166.1	0	0	0	116.1
906	K	28.8	Very low	28.8	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	78%	0.777	S	S	*	*			cis	-157	170.3	-2.5	-127.4	175.8	-173.6	176.6	0	108.3
907	A	26.7	Very low	28.8	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	78%	0.779	S	S	*	*			trans	-141.1	152.4	167.1	0	0	0	0	0	112
908	P	32.4	Very low	28.8	Very low	111 Å²	111	140.7 Å²	140.7	72%	0.721	78%	0.781	S	S	*	*			trans	-112.9	143.2	143	36.1	-27.4	0	0	0	109.6
909	S	25	Very low	28.7	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	78%	0.784	S	S	*	*			cis	73.9	154.7	28.6	-158.3	0	0	0	0	114.4
910	I	31.2	Very low	28.7	Very low	145 Å²	145	141.5 Å²	141.5	74%	0.744	77%	0.773	S	S	*	*			trans	77.1	125.1	-176.1	-52.3	160.8	0	0	0	113.2
911	T	29.4	Very low	28.8	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	77%	0.765	S	S	*	*			cis	-159.1	152.2	-19	20.6	0	0	0	0	108.7
912	P	29.8	Very low	28.6	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	76%	0.761	S	S	*	*			trans	-90	134.5	159.3	34.5	-28.7	0	0	0	111.3
913	D	30.8	Very low	28.4	Very low	123 Å²	123	134 Å²	134	66%	0.658	76%	0.758	S	S	*	*			trans	-157.6	123.2	158.8	-117.4	26	0	0	0	110.7
914	K	28.7	Very low	28.3	Very low	162 Å²	162	135.4 Å²	135.4	70%	0.704	75%	0.751	S	S	*	*				67.6	106.2	102.4	-71.9	-168.3	-159.1	84.6	0	116.3
915	M	28.7	Very low	28.5	Very low	179 Å²	179	138.3 Å²	138.3	88%	0.882	76%	0.756	S	S	*	*				160.5	107.6	119.4	-84.2	-172.3	-164.1	0	0	107.9
916	K	26.3	Very low	28.4	Very low	204 Å²	204	137.8 Å²	137.8	89%	0.887	76%	0.755	S	S	*	*				77.2	144.2	77.3	-92	-160.3	171.3	-173.5	0	114.7
917	P	28.7	Very low	28.4	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	75%	0.747	S	S	*	*			trans	-101.3	164.6	-157	39.8	-37.8	0	0	0	115.6
918	R	27	Very low	28.3	Very low	221 Å²	221	134.1 Å²	134.1	83%	0.834	75%	0.747	S	S	*	*			trans	-161.5	125.8	163.2	-141.2	151.8	-176.2	167.9	1.2	105.8
919	I	24.3	Very low	28.1	Very low	150 Å²	150	132.7 Å²	132.7	77%	0.769	75%	0.745	S	S	*	*			cis	58.8	73.7	29.5	-44.7	-177.4	0	0	0	113.4
920	T	28.3	Very low	28.2	Very low	102 Å²	102	132.8 Å²	132.8	63%	0.626	74%	0.741	S	S	*	*			trans	-168.9	100.4	152.6	25.8	0	0	0	0	106.6
921	T	27.5	Very low	28	Very low	112 Å²	112	132.6 Å²	132.6	69%	0.687	74%	0.741	S	S	*	*				80.6	118.2	82.9	55.4	0	0	0	0	115.5
922	N	26.5	Very low	28	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	74%	0.742	S	S	*	*			trans	54.8	101.1	138.3	-52.7	4.5	0	0	0	119.8	H924	N922-H924 PolarHBondContact O-CD2 2.84Å
923	G	29.7	Very low	28	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	74%	0.739	S	S	*	*				-113.8	116.4	126.2	0	0	0	0	0	106.6
924	H	29.1	Very low	27.9	Very low	154 Å²	154	136 Å²	136	71%	0.713	74%	0.744	S	S	*	*				60.5	121.7	66.1	-61.8	-70.3	0	0	0	111.3	N922	N922-H924 PolarHBondContact O-CD2 2.84Å
925	T	31.9	Very low	27.9	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	74%	0.74	S	S	*	*			cis	-160.1	143.5	10.2	-2.8	0	0	0	0	112.7
926	N	26.3	Very low	27.9	Very low	155 Å²	155	129.1 Å²	129.1	83%	0.829	73%	0.73	S	S	*	*			trans	-69.1	147.5	141.7	-96.2	-7.5	0	0	0	107.4
927	P	27.9	Very low	27.9	Very low	110 Å²	110	124.1 Å²	124.1	71%	0.714	72%	0.717	S	S	*	*				-152.2	171.5	64	43.8	-25.2	0	0	0	117.8
928	S	25.1	Very low	27.9	Very low	103 Å²	103	126.2 Å²	126.2	72%	0.72	72%	0.717	S	S	*	*			trans	32.6	135.9	141.8	69.3	0	0	0	0	122.8
929	A	27.1	Very low	28.1	Very low	82 Å²	82	121.5 Å²	121.5	68%	0.678	71%	0.708	S	S	*	*				112.4	138.9	126.4	0	0	0	0	0	119.5
930	T	28	Very low	28.2	Very low	114 Å²	114	121.5 Å²	121.5	70%	0.699	71%	0.709	S	S	*	*			trans	64.8	100.2	146.9	50.3	0	0	0	0	121.4
931	D	26.3	Very low	28.4	Very low	140 Å²	140	123.8 Å²	123.8	75%	0.749	72%	0.715	S	S	*	*				85.6	159.2	112.3	-58.5	-11.3	0	0	0	123
932	T	30.4	Very low	28.5	Very low	125 Å²	125	122 Å²	122	77%	0.767	70%	0.704	S	S	*	*			trans	69.1	106.6	178.9	60	0	0	0	0	115.1
933	L	28.6	Very low	28.6	Very low	130 Å²	130	120.6 Å²	120.6	68%	0.681	69%	0.69	S	S	*	*				67	131.6	76.2	-66.4	169.2	0	0	0	111.7	T935	L933-T935 HydrophobicContact CD2-CG2 4.22Å
934	F	28.7	Very low	28.6	Very low	177 Å²	177	120.7 Å²	120.7	78%	0.776	67%	0.673	S	S	*	*			cis	-132.2	131.4	31.3	-89.3	-98.8	0	0	0	111.9
935	T	28.9	Very low	28.6	Very low	101 Å²	101	120 Å²	120	62%	0.62	67%	0.668	S	S	*	*				53.5	142.5	101.5	74	0	0	0	0	116.5	L933	L933-T935 HydrophobicContact CD2-CG2 4.22Å
936	S	28.3	Very low	28.5	Very low	95 Å²	95	122.8 Å²	122.8	66%	0.664	67%	0.67	S	S	*	*			cis	-175.8	-168	-10.5	54.2	0	0	0	0	107.3
937	T	28.1	Very low	28.6	Very low	99 Å²	99	124.6 Å²	124.6	61%	0.607	67%	0.673	S	S	*	*			cis	-167.8	144.1	15.5	-7	0	0	0	0	108.4
938	H	28.5	Very low	28.6	Very low	154 Å²	154	126.7 Å²	126.7	71%	0.713	68%	0.677	S	S	*	*			trans	57.7	162.4	151.8	-61.9	-49.7	0	0	0	120.2
939	D	29.8	Very low	29.1	Very low	122 Å²	122	127 Å²	127	65%	0.652	68%	0.676	S	S	*	*			cis	-155.8	141.6	-29.8	-91.1	-14.8	0	0	0	104.7
940	D	28	Very low	29.1	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	68%	0.681	S	S	*	*				70.5	149.5	79.7	-142	-7.5	0	0	0	116.5
941	M	31.1	Very low	29.1	Very low	150 Å²	150	128.6 Å²	128.6	74%	0.739	68%	0.682	S	S	*	*			trans	73.6	103.1	170.4	-62.2	-172.1	-71.9	0	0	123.2
942	T	29.7	Very low	29.4	Very low	75 Å²	75	128.3 Å²	128.3	46%	0.46	69%	0.685	S	S	.	*				42.2	134.4	124.1	61.2	0	0	0	0	125.5
943	Y	29.6	Very low	29.2	Very low	103 Å²	103	130 Å²	130	40%	0.404	68%	0.684	S	S	.	*			trans	80.7	158.6	148.9	-47.5	-30.7	0	0	0	120.1	I379 T380 V381 Q382	I379-Y943 VanDerWaalsContact CG2-O 3.29Å; I379-Y943 WeakPolarHBondContact CG2-O 3.49Å; I379-Y943 CarbonylContact O-C 3.59Å; T380-Y943 WeakPolarHBondContact O-CA 3.32Å; T380-Y943 PolarHBondContact O-N 3.07Å; V381-Y943 HydrophobicContact CG2-CD1 3.36Å; V381-Y943 HydrophobicContact CG2-CE1 4Å; V381-Y943 HydrophobicContact CG2-CG 4Å; Q382-Y943 HydrophobicContact CB-CE1 4.21Å
944	N	29.6	Very low	29.4	Very low	75 Å²	75	129.9 Å²	129.9	40%	0.401	69%	0.691	S	S	.	*			cis	-145.1	146.1	-0.6	-143.3	-56.3	0	0	0	115.1	I379 V381	I379-N944 PolarHBondContact N-O 3.07Å; I379-N944 VanDerWaalsContact N-O 3.08Å; I379-N944 CarbonylContact O-C 3.59Å; I379-N944 WeakPolarHBondContact O-CA 3.43Å; I379-N944 PolarHBondContact O-N 2.93Å; V381-N944 HydrophobicContact CG2-CB 4.49Å; V381-N944 WeakPolarHBondContact CG2-OD1 3.49Å
945	K	29.7	Very low	29.5	Very low	138 Å²	138	126.4 Å²	126.4	60%	0.6	68%	0.684	S	S	*	*			trans	31.6	140.8	159.4	-85.5	169.9	-174.6	159.8	0	125	I379	I379-K945 PolarHBondContact O-N 2.86Å; I379-K945 VanDerWaalsContact O-N 3.12Å
946	K	29.1	Very low	29.6	Very low	182 Å²	182	127.7 Å²	127.7	79%	0.791	70%	0.696	S	S	*	*			trans	36.8	125.1	137.7	-64.3	-178.4	174.6	-173	0	121
947	Q	29.1	Very low	29.7	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	70%	0.703	S	S	*	*				-173.4	163.9	104.1	-108	173.5	-17	0	0	115.6
948	I	27.8	Very low	29.9	Very low	154 Å²	154	132.2 Å²	132.2	79%	0.79	70%	0.703	S	S	*	*			trans	-117.3	131.9	168.6	-70.3	169.2	0	0	0	103.9
949	P	33.8	Very low	30.1	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	71%	0.71	S	S	*	*				-155.3	158.6	79.1	38.6	-16.7	0	0	0	120.2
950	T	29	Very low	30.1	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	72%	0.716	S	S	*	*			trans	33.1	123.5	134.2	-40.2	0	0	0	0	121.3
951	S	28	Very low	30.2	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	72%	0.72	S	S	*	*				172.5	159.2	95.4	75.3	0	0	0	0	116.2
952	V	31.3	Very low	30.1	Very low	133 Å²	133	139.7 Å²	139.7	81%	0.806	72%	0.719	S	S	*	*			trans	70.1	119.3	153.1	176.1	0	0	0	0	120.9
953	E	27.3	Very low	29.9	Very low	162 Å²	162	143.4 Å²	143.4	76%	0.757	73%	0.731	S	S	*	*			trans	-82	163.5	155.7	-73.1	-173.7	129.1	0	0	111.6
954	P	32.3	Very low	29.8	Very low	127 Å²	127	143.2 Å²	143.2	83%	0.825	74%	0.744	S	S	*	*			trans	-135.9	137.3	130.2	36.1	-26	0	0	0	115.3
955	T	30.5	Very low	29.7	Very low	103 Å²	103	146.8 Å²	146.8	63%	0.632	76%	0.762	S	S	*	*			trans	-89.2	150.2	176.2	-47.9	0	0	0	0	112.4
956	C	31.7	Very low	29.5	Very low	129 Å²	129	145 Å²	145	87%	0.872	76%	0.763	S	S	*	*			trans	-148.4	130.3	162.3	-87.8	0	0	0	0	112.1
957	E	30	Very low	29.5	Very low	171 Å²	171	144.5 Å²	144.5	80%	0.799	76%	0.763	S	S	*	*			trans	-116	175.3	162.1	-76.5	-142.8	94	0	0	108.4
958	L	31.1	Very low	29.4	Very low	118 Å²	118	141.9 Å²	141.9	62%	0.618	76%	0.755	S	S	*	*			cis	-157.9	156.8	9.5	-147	-179.2	0	0	0	106.8
959	I	33.5	Very low	29.5	Very low	167 Å²	167	138.5 Å²	138.5	86%	0.856	75%	0.746	S	S	*	*			trans	-157.8	156.6	151.3	-103.6	144.9	0	0	0	113.2
960	K	29.2	Very low	29.4	Very low	180 Å²	180	140.2 Å²	140.2	78%	0.783	75%	0.748	S	S	*	*			trans	-104	146.9	-167.7	-51.8	164.5	-178.2	172.8	0	112.8
961	R	30.9	Very low	29.4	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	75%	0.749	S	S	*	*				164	120.6	125.3	-91.3	164.2	175.8	148.1	-2.6	115.9
962	Q	28.1	Very low	29.6	Very low	153 Å²	153	146 Å²	146	72%	0.715	76%	0.755	S	S	*	*				62.3	109.3	114.7	-147.7	151.8	8.8	0	0	123.8
963	E	27.4	Very low	29.8	Very low	153 Å²	153	145.1 Å²	145.1	72%	0.715	75%	0.751	S	S	*	*			trans	55.7	114.1	132.4	-62.9	177	122.2	0	0	125.7
964	S	26.9	Very low	29.9	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	75%	0.751	S	S	*	*				93.5	141.5	120	78.5	0	0	0	0	124.1
965	I	26.6	Very low	29.8	Very low	151 Å²	151	141.9 Å²	141.9	77%	0.774	75%	0.75	S	S	*	*			trans	65.3	141.7	142.4	-69	163.1	0	0	0	119.2
966	T	26.6	Very low	29.6	Very low	101 Å²	101	144.6 Å²	144.6	62%	0.62	76%	0.76	S	S	*	*			cis	-158.7	166.6	-24	31.3	0	0	0	0	109.4
967	E	27.8	Very low	29.5	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	76%	0.758	S	S	*	*			trans	62.4	167	157	-75.9	146.7	-159.9	0	0	116.8
968	D	28.3	Very low	29.4	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	76%	0.762	S	S	*	*			cis	-152	167	2.2	-138.7	5.6	0	0	0	105.8
969	S	29	Very low	29.4	Very low	84 Å²	84	147 Å²	147	59%	0.587	77%	0.765	S	S	*	*			cis	-179.3	-165.2	-5.9	-128.1	0	0	0	0	106.6
970	L	31.2	Very low	29.2	Very low	146 Å²	146	147.4 Å²	147.4	76%	0.764	77%	0.768	S	S	*	*			trans	68.9	137.8	173.2	-83.6	74.2	0	0	0	117.1
971	E	31	Very low	29.1	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	76%	0.762	S	S	*	*			cis	-155.4	175.7	-18	-139.9	166	-146.6	0	0	111.7
972	H	31.2	Very low	28.9	Very low	180 Å²	180	139 Å²	139	83%	0.833	76%	0.763	S	S	*	*			trans	-98.6	-156.2	-175.6	-57.9	-75.9	0	0	0	111.1
973	P	35.2	Very low	28.8	Very low	114 Å²	114	137 Å²	137	74%	0.74	77%	0.765	S	S	*	*			cis	-138.2	-177	-14.5	34.5	-12.6	0	0	0	116.5
974	S	28.7	Very low	29	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	77%	0.769	S	S	*	*				120.1	157.1	124.5	80.5	0	0	0	0	120.9
975	S	30.7	Very low	29	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	77%	0.774	S	S	*	*			trans	77.6	108.4	167.1	70.8	0	0	0	0	120.1
976	L	27	Very low	29.1	Very low	161 Å²	161	134 Å²	134	84%	0.843	77%	0.772	S	S	*	*			trans	-77.7	166.1	154.2	-68.3	152.1	0	0	0	109.3
977	P	30.3	Very low	29.3	Very low	130 Å²	130	138.4 Å²	138.4	84%	0.844	79%	0.785	S	S	*	*				-137.6	169.4	95	34.3	-20.7	0	0	0	115.1
978	R	26.2	Very low	29.3	Very low	231 Å²	231	133.8 Å²	133.8	87%	0.872	78%	0.783	S	S	*	*			trans	-124.5	-158.6	-179.1	-148.1	-166.7	-164.1	-171.3	8.3	109.5
979	P	32.9	Very low	29.4	Very low	106 Å²	106	136.5 Å²	136.5	69%	0.688	79%	0.789	S	S	*	*				-109.2	157.7	-120.2	40.1	-27.1	0	0	0	116.5
980	L	28.7	Very low	29.4	Very low	176 Å²	176	139.7 Å²	139.7	92%	0.921	80%	0.804	S	S	*	*			trans	-145.3	152.3	155.9	-66.3	175.4	0	0	0	108.1
981	G	26.5	Very low	29.3	Very low	63 Å²	63	140.9 Å²	140.9	65%	0.649	81%	0.806	S	S	*	*			cis	153.5	132.2	-9.3	0	0	0	0	0	113.5
982	I	27.7	Very low	29.4	Very low	172 Å²	172	137.8 Å²	137.8	88%	0.882	80%	0.803	S	S	*	*			trans	85.8	130	155.7	-49.7	157.1	0	0	0	119.1
983	S	24.7	Very low	29.3	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	80%	0.8	S	S	*	*			trans	-59.6	168.9	-176.4	-49.6	0	0	0	0	120.1
984	P	31.3	Very low	29.1	Very low	124 Å²	124	139 Å²	139	81%	0.805	80%	0.8	S	S	*	*			trans	-92.2	170.4	170.9	39	-37.7	0	0	0	113.8
985	S	26.7	Very low	29.2	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	81%	0.805	S	S	*	*			trans	-170.8	168.2	152.5	62.1	0	0	0	0	115.9
986	S	28.7	Very low	29.3	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	80%	0.803	S	S	*	*			trans	74.4	132.6	169	74.9	0	0	0	0	118
987	H	30.9	Very low	29.6	Very low	193 Å²	193	145.8 Å²	145.8	89%	0.894	81%	0.808	S	S	*	*			cis	106.7	124.7	10.6	-75.6	-52.6	0	0	0	116.9
988	G	28.8	Very low	29.6	Very low	74 Å²	74	145.4 Å²	145.4	76%	0.763	81%	0.809	S	S	*	*			trans	-144.8	139.6	157.2	0	0	0	0	0	110.6
989	K	29.4	Very low	29.8	Very low	195 Å²	195	138 Å²	138	85%	0.848	80%	0.804	S	S	*	*			trans	-145	144.3	175.3	-91.9	-173.1	176	178.9	0	108.9
990	V	30.5	Very low	29.8	Very low	151 Å²	151	140.3 Å²	140.3	92%	0.915	81%	0.811	S	S	*	*			trans	-135.4	155	162.3	-174.8	0	0	0	0	108.5
991	Q	29.3	Very low	29.9	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	81%	0.808	S	S	*	*			trans	-126.6	177.1	-172	-65	-176.4	-62.8	0	0	112.6
992	S	31.7	Very low	30.4	Very low	104 Å²	104	140 Å²	140	73%	0.727	81%	0.811	S	S	*	*			trans	95.7	153.7	138.9	93.7	0	0	0	0	116.6
993	K	29.7	Very low	30.5	Very low	177 Å²	177	139.8 Å²	139.8	77%	0.77	81%	0.81	S	S	*	*			cis	-168.1	168.3	-1.1	-134.4	169.4	-169.4	174.3	0	111.9
994	L	31	Very low	31	Very low	143 Å²	143	139.2 Å²	139.2	75%	0.749	80%	0.803	S	S	*	*			trans	69.9	161	156.2	-62.5	159.2	0	0	0	118
995	R	30.4	Very low	30.9	Very low	224 Å²	224	140.5 Å²	140.5	85%	0.845	80%	0.803	S	S	*	*			cis	-165.5	152.9	-42.8	-134.9	-174.1	-173.9	173.5	0.2	108.8
996	P	33.2	Very low	31.3	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	81%	0.809	S	S	*	*			trans	-111.4	178.8	-172.5	41	-32.9	0	0	0	116.2
997	L	32.2	Very low	31.5	Very low	183 Å²	183	139.6 Å²	139.6	96%	0.958	81%	0.808	S	S	*	*			trans	-136.7	173.6	172.4	-76	174.8	0	0	0	112.2
998	S	31.3	Very low	31.5	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	81%	0.807	S	S	*	*			trans	-127.5	161.5	-157.1	51.3	0	0	0	0	116.5
999	G	31.2	Very low	31.8	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	81%	0.809	S	S	*	*			trans	-178.4	88.6	173.2	0	0	0	0	0	119.3
1000	N	32.5	Very low	31.8	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	80%	0.804	S	S	*	*			trans	22.7	113.4	146.8	-56.4	-3.3	0	0	0	124.6
1001	S	30.3	Very low	32	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	80%	0.798	S	S	*	*				64.6	163.4	110.1	-85.1	0	0	0	0	125
1002	P	36.2	Very low	32	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	80%	0.801	S	S	*	*			trans	-132.3	-167.8	-141.9	46.8	-32	0	0	0	116.2
1003	I	31.1	Very low	32.2	Very low	169 Å²	169	135.2 Å²	135.2	87%	0.867	81%	0.808	S	S	*	*			trans	-179.2	158.4	141.3	-97.9	157.3	0	0	0	112.4
1004	P	34.2	Very low	32.4	Very low	97 Å²	97	134.9 Å²	134.9	63%	0.63	81%	0.811	S	S	*	*			trans	-127.8	178.6	-159.6	42.2	-27.5	0	0	0	117.7
1005	N	30.2	Very low	32.7	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	81%	0.81	S	S	*	*			trans	140.7	154.3	139.5	-76.5	-25.3	0	0	0	118.1
1006	S	34.8	Very low	33.2	Very low	131 Å²	131	128.5 Å²	128.5	92%	0.916	81%	0.807	S	S	*	*			trans	86.6	155.4	161.1	80.1	0	0	0	0	119.9
1007	G	32.3	Very low	33.2	Very low	68 Å²	68	128.8 Å²	128.8	70%	0.701	81%	0.812	S	S	*	*			trans	177.1	-66.1	172.9	0	0	0	0	0	120.7
1008	I	30.3	Very low	33.4	Very low	169 Å²	169	126.9 Å²	126.9	87%	0.867	81%	0.807	S	S	*	*			trans	65.5	-170	-174.5	-18.2	-177.5	0	0	0	114.2
1009	P	35	Very low	33.5	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	80%	0.803	S	S	*	*				-118.2	-177.5	-118.8	42.8	-26.7	0	0	0	117.3
1010	A	29.7	Very low	33.5	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-94.5	164.5	-175.8	0	0	0	0	0	115.3
1011	P	35.3	Very low	33.5	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-102	142.7	165	36.6	-29.4	0	0	0	113.1
1012	S	28.8	Very low	33.4	Very low	123 Å²	123	127.2 Å²	127.2	86%	0.86	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.3	146.5	171.8	-59.3	0	0	0	0	111.9
1013	I	36.2	Very low	33.4	Very low	168 Å²	168	129.8 Å²	129.8	86%	0.862	81%	0.805	S	S	*	*			trans	-132.8	138.4	166.6	-60.3	-178.3	0	0	0	108.9
1014	M	34.8	Very low	33.6	Very low	169 Å²	169	129.6 Å²	129.6	83%	0.833	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.8	155	-175	-73.5	148.2	51	0	0	113.6
1015	P	36.5	Very low	33.4	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.2	150.4	164.6	32.9	-34.9	0	0	0	111.2
1016	P	41.7	Very low	33.5	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.9	128.9	178.1	31.2	-33.5	0	0	0	112.2
1017	S	32	Very low	33.3	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.8	139.4	166.7	-54.3	0	0	0	0	110.9
1018	V	36.1	Very low	33.4	Very low	144 Å²	144	134.3 Å²	134.3	87%	0.873	81%	0.809	S	S	*	*			trans	-126.6	119.8	166.1	-169.6	0	0	0	0	108.3
1019	S	35.3	Very low	33.4	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	80%	0.802	S	S	*	*			trans	-111.7	131.8	-171.7	57.1	0	0	0	0	112.8
1020	G	29.7	Very low	33.1	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	80%	0.802	S	S	*	*			trans	58.7	93.2	146.2	0	0	0	0	0	118.3
1021	Q	33.3	Very low	33.2	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.822	80%	0.804	S	S	*	*			trans	-140.7	125	148.5	-146.3	166.6	10.4	0	0	110.2
1022	S	28.6	Very low	33	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	81%	0.805	S	S	*	*			trans	-94.4	110.5	-170.8	53.1	0	0	0	0	111.6
1023	H	36.6	Very low	33.4	Very low	164 Å²	164	136.9 Å²	136.9	76%	0.759	80%	0.801	S	S	*	*			trans	-134.1	150	170.4	-74.8	-72.2	0	0	0	112.4
1024	M	34.4	Very low	33.5	Very low	164 Å²	164	134.4 Å²	134.4	81%	0.808	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.7	162.1	-171.1	-72.1	-163.5	75.2	0	0	113	V1026	M1024-V1026 PolarHBondContact O-N 3.08Å
1025	P	30.2	Very low	33.6	Very low	120 Å²	120	134 Å²	134	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55	125.6	178.8	21.6	-35.4	0	0	0	112.3	P1027	P1025-P1027 WeakPolarHBondContact O-CD 3.3Å
1026	V	32.8	Very low	33.7	Very low	128 Å²	128	134.3 Å²	134.3	78%	0.776	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.9	119.1	174.9	178.4	0	0	0	0	108.9	M1024 M1028	M1024-V1026 PolarHBondContact O-N 3.08Å; V1026-M1028 PolarHBondContact O-N 2.92Å
1027	P	30.9	Very low	33.3	Very low	107 Å²	107	134.6 Å²	134.6	70%	0.695	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.1	125.3	170.1	29.6	-32.2	0	0	0	109.3	P1025 N1029	P1025-P1027 WeakPolarHBondContact O-CD 3.3Å; P1027-N1029 PolarHBondContact O-N 2.9Å
1028	M	32.6	Very low	33.5	Very low	192 Å²	192	132.4 Å²	132.4	95%	0.946	80%	0.8	S	S	*	*			trans	-71	83.5	167.1	-81	-174.4	65.1	0	0	109.7	V1026	V1026-M1028 PolarHBondContact O-N 2.92Å
1029	N	31.1	Very low	33.4	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	80%	0.799	S	S	*	*			trans	-71.7	157.7	171.9	-164	6.3	0	0	0	110.7	P1027 T1031	P1027-N1029 PolarHBondContact O-N 2.9Å; N1029-T1031 PolarHBondContact O-N 3.03Å
1030	N	28.2	Very low	33.3	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	80%	0.802	S	S	*	*			trans	-68.4	116.9	-172.7	-60.6	-72.4	0	0	0	112.3
1031	T	32.9	Very low	33.7	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	80%	0.796	S	S	*	*			trans	-110.6	98.9	161.5	44.1	0	0	0	0	110.5	N1029 I1033	N1029-T1031 PolarHBondContact O-N 3.03Å; T1031-I1033 PolarHBondContact O-N 3.28Å; T1031-I1033 VanDerWaalsContact O-N 3.13Å
1032	S	31.2	Very low	33.9	Very low	116 Å²	116	136 Å²	136	81%	0.811	79%	0.794	S	S	*	*			trans	-67.8	98.5	170.2	36.4	0	0	0	0	111
1033	I	36.9	Very low	34.3	Very low	152 Å²	152	136.4 Å²	136.4	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.6	122.9	165.7	-59.3	177.9	0	0	0	107.6	T1031 L1035	T1031-I1033 PolarHBondContact O-N 3.28Å; T1031-I1033 VanDerWaalsContact O-N 3.13Å; I1033-L1035 PolarHBondContact O-N 3.3Å
1034	P	36.8	Very low	34.4	Very low	116 Å²	116	138 Å²	138	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.2	126.6	-175.7	27.8	-33.9	0	0	0	111.2
1035	L	38	Very low	34.6	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.7	134.4	166.8	-77.6	167.7	0	0	0	109.4	I1033 S1037	I1033-L1035 PolarHBondContact O-N 3.3Å; L1035-S1037 PolarHBondContact O-N 2.83Å
1036	P	38.3	Very low	34.9	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.1	179.5	25.6	-33.4	0	0	0	110.9	G1038	P1036-G1038 PolarHBondContact O-N 3.04Å; P1036-G1038 VanDerWaalsContact O-N 3.14Å
1037	S	33.6	Very low	35.1	Very low	128 Å²	128	136.4 Å²	136.4	90%	0.895	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	108.7	178.7	52.9	0	0	0	0	111.1	L1035	L1035-S1037 PolarHBondContact O-N 2.83Å
1038	G	36.2	Very low	35.4	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.7	-22.5	176.2	0	0	0	0	0	117.2	P1036	P1036-G1038 PolarHBondContact O-N 3.04Å; P1036-G1038 VanDerWaalsContact O-N 3.14Å
1039	I	34.8	Very low	35.5	Very low	164 Å²	164	127.5 Å²	127.5	84%	0.841	75%	0.746	S	S	*	*			trans	-113.1	101.1	-173.1	-52.6	179.4	0	0	0	110.9
1040	K	33	Very low	35.8	Very low	195 Å²	195	128.7 Å²	128.7	85%	0.848	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-71.8	132.8	161.4	-86	-174.8	173.8	-179.5	0	109
1041	P	36.7	Very low	36.3	Very low	111 Å²	111	125.6 Å²	125.6	72%	0.721	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-64.2	141.9	166.8	27.8	-33.3	0	0	0	109.9	S1043	P1041-S1043 PolarHBondContact O-N 3.27Å
1042	P	38.3	Very low	36.4	Very low	117 Å²	117	129 Å²	129	76%	0.76	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-65	118.6	-178.8	-22.6	34	0	0	0	112.2	R1044	P1042-R1044 PolarHBondContact O-N 3.24Å
1043	S	37.2	Very low	36.7	Very low	122 Å²	122	129.7 Å²	129.7	85%	0.853	75%	0.748	S	S	*	*			trans	-69.2	94.3	177.3	53.9	0	0	0	0	111.3	P1041	P1041-S1043 PolarHBondContact O-N 3.27Å
1044	R	37.7	Very low	36.7	Very low	199 Å²	199	128.5 Å²	128.5	75%	0.751	75%	0.746	S	S	*	*			trans	-79.5	125.2	169.7	-67.8	-171.9	177.4	-133.4	0.5	109.5	P1042	P1042-R1044 PolarHBondContact O-N 3.24Å
1045	S	38.4	Very low	36.7	Very low	75 Å²	75	129.2 Å²	129.2	52%	0.524	75%	0.746	S	S	.	*			trans	-72.9	157	-178	59.6	0	0	0	0	112	K1047 S1048	S1045-K1047 PolarHBondContact O-N 3.49Å; S1045-K1047 VanDerWaalsContact O-N 3.11Å; S1045-S1048 WeakPolarHBondContact O-CB 3.45Å; S1045-S1048 PolarHBondContact O-N 2.94Å
1046	P	36.7	Very low	36.6	Very low	112 Å²	112	127.3 Å²	127.3	73%	0.727	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-54.5	-33.8	-178.3	-29	36	0	0	0	114.4	S1048 A1049 L1050	P1046-S1048 PolarHBondContact O-N 3.26Å; P1046-A1049 PolarHBondContact O-N 3.36Å; P1046-L1050 PolarHBondContact O-N 2.77Å
1047	K	37.1	Very low	36.5	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-63.9	-20.2	175.8	-71.3	-173.2	175	-178.9	0	114	S1045 A1049	S1045-K1047 PolarHBondContact O-N 3.49Å; S1045-K1047 VanDerWaalsContact O-N 3.11Å; K1047-A1049 VanDerWaalsContact C-N 3.33Å
1048	S	36.6	Very low	36.7	Very low	49 Å²	49	127.9 Å²	127.9	34%	0.343	73%	0.728	S	S	.	*	G	3₁₀ helix	trans	-80.8	-11.6	171.9	-178	0	0	0	0	113.4	S1045 P1046	S1045-S1048 WeakPolarHBondContact O-CB 3.45Å; S1045-S1048 PolarHBondContact O-N 2.94Å; P1046-S1048 PolarHBondContact O-N 3.26Å
1049	A	36	Very low	36.7	Very low	64 Å²	64	131.6 Å²	131.6	53%	0.529	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.7	-11.8	177.5	0	0	0	0	0	113	P1046 K1047	P1046-A1049 PolarHBondContact O-N 3.36Å; K1047-A1049 VanDerWaalsContact C-N 3.33Å
1050	L	37.8	Very low	36.8	Very low	156 Å²	156	129.2 Å²	129.2	82%	0.817	72%	0.715	S	S	*	*	S	Bend	trans	-94.1	3	175.2	-117.4	81.3	0	0	0	114	P1046	P1046-L1050 PolarHBondContact O-N 2.77Å
1051	A	38.1	Very low	37.2	Very low	86 Å²	86	123.7 Å²	123.7	71%	0.711	70%	0.704	S	S	*	*			trans	-126.1	23.7	-175.1	0	0	0	0	0	112.3
1052	K	35.3	Very low	37.2	Very low	203 Å²	203	124.8 Å²	124.8	88%	0.883	70%	0.702	S	S	*	*			trans	-145.9	0	177.7	-97.9	-161.5	164.5	-136.2	0	109

Retrieved 1,052 of 1,052 residues in 929.9 ms (Link to these results)

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