A0A077ZJP8_TRITR Loading...

RhoGAP and PH and WW domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 864 aa.

						>A0A077ZJP8_TRITR|A0A077ZJP8
MSQTIVKALYNYDSTTERGHGIHVLAGEKFRLISDENEHWWYVSKTLPAENGFYLPKSYLKVLSVEENDCNPPADHNHHHHQHSSLWSLNDDFHEGNDSDVSEYSPSVPFGCLSESRRVSASIPVSLDRLSLIPDSKIRSSTVELDDVVGGSYFTCKHGTSSNAAAATNAATTVHAQSRSLDGDWMPRSAVACFSHVEKPIETSHCPEVRLSTCHCVAATFLFQLLHNGRDARSRSPIYANVQDSCDPVPLLSPGMEPLRTLANGWQEYVSTAGRPFFYHPASGASSWKPPRGLHVTEDHPVEQCGLAESYHKAVPEDMGLMSVSSGAEYCSVPVVRLSGNRMGGSKDALSTFNEERSEHCVRVSVRDFSELNRLLSSSQLQPQRSRSSFTASLYNPCMSASDGALKLNTFARPPRKVIKCGNLARCKFMDGGKRIRKHWFTCFVYLTNAHMIFYKDQKASEKQGNQYAAPLGVCDLRGAKIKWLDDDKSKRKRLFQLELVDGTAYLFHSENDAEIMDWFDSLKEILADMPHPGFSRTPVIERGSYKPGLRRSPAGSQKLPIKETKSANDFKENRCELTLIAFFKLRNVFFFVAAADLAGPSINSVEASVPSKQSILEKLVRFLRNRPSIEFLKEKGIYKPEPVFGSSLIEICRREKSTVPKFVAVCTSLIEERGLETDGLYQKYSLLINESDIHVITGTLKLFFRELQEPLFPMFLVKDFMNAIKLQNAKLRFKAFKELVARMPVPHHNTLNVLLIHLLRVAQNSAKNRMQVHNLAIVFGPTLFCSSPKPDKPNVVGHARKKLGKKTGIGSSKAHVGHAVAPYPDVVQTNSHLAFSMIMHGQIVEYMLKEHPRLFRVSSDYTP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	81.9	Confident	230 Å²	230	84.5 Å²	84.5	100%	1.133	43%	0.432	S	S	*	.				0	133.3	0	-64.5	170.7	-178.5	0	0	107.9	Q3	M1-Q3 PolarHBondContact O-N 3.24Å
2	S	55.5	Low	82.4	Confident	115 Å²	115	80.4 Å²	80.4	80%	0.804	41%	0.408	S	S	*	.			trans	-63.7	117.1	170.8	27.2	0	0	0	0	109.1	T4	S2-T4 PolarHBondContact O-N 2.75Å; S2-T4 VanDerWaalsContact O-N 3.16Å
3	Q	72.5	Confident	82.8	Confident	93 Å²	93	82.2 Å²	82.2	44%	0.435	42%	0.419	S	S	.	.			trans	-85.6	91.9	-176.7	-68.5	-179.3	3.6	0	0	109.7	M1 I5 R31 L47	M1-Q3 PolarHBondContact O-N 3.24Å; Q3-I5 PolarHBondContact O-N 2.68Å; Q3-I5 VanDerWaalsContact O-N 3.1Å; Q3-R31 VanDerWaalsContact OE1-CZ 3.31Å; Q3-L47 VanDerWaalsContact NE2-CD1 3.29Å
4	T	86.4	Confident	82.9	Confident	53 Å²	53	79 Å²	79	33%	0.325	41%	0.408	S	S	.	.			trans	-55.2	112.4	177	-57.9	0	0	0	0	110.7	S2 V6 L32 V62	S2-T4 PolarHBondContact O-N 2.75Å; S2-T4 VanDerWaalsContact O-N 3.16Å; T4-V6 HydrophobicContact CG2-CG1 4.37Å; T4-L32 HydrophobicContact CG2-CB 4.29Å; T4-L32 HydrophobicContact CG2-CD2 4.07Å; T4-L32 PolarHBondContact O-N 2.83Å; T4-V62 HydrophobicContact CG2-CG1 3.81Å; T4-V62 HydrophobicContact CG2-CG2 4.16Å
5	I	90.6	Very high	82.6	Confident	46 Å²	46	77.9 Å²	77.9	24%	0.236	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.7	175.3	-57.2	-177.6	0	0	0	108.4	Q3 K29 F30 L63	Q3-I5 PolarHBondContact O-N 2.68Å; Q3-I5 VanDerWaalsContact O-N 3.1Å; I5-K29 HydrophobicContact CG2-CB 3.95Å; I5-K29 HydrophobicContact CG2-CD 4.24Å; I5-K29 HydrophobicContact CG2-CG 4.33Å; I5-F30 CarbonylContact C-O 3.58Å; I5-F30 WeakPolarHBondContact CA-O 3.45Å; I5-L63 HydrophobicContact CG2-CD1 3.97Å; I5-L63 PolarHBondContact O-N 2.67Å
6	V	92.9	Very high	82.1	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.4	177.5	-67.6	0	0	0	0	110.2	T4 K29 F30 L32 W41 V43 L60 K61 V62	T4-V6 HydrophobicContact CG2-CG1 4.37Å; V6-K29 CarbonylContact O-C 3.58Å; V6-K29 WeakPolarHBondContact O-CA 3.23Å; V6-F30 HydrophobicContact CG2-CB 4.04Å; V6-F30 PolarHBondContact N-O 3.39Å; V6-F30 PolarHBondContact O-N 3.2Å; V6-L32 HydrophobicContact CG1-CB 4.16Å; V6-L32 HydrophobicContact CG2-CB 4.48Å; V6-W41 HydrophobicContact CG1-CE3 4.06Å; V6-W41 HydrophobicContact CG1-CZ3 3.74Å; V6-V43 HydrophobicContact CG2-CG1 3.86Å; V6-L60 HydrophobicContact CB-CB 4.32Å; V6-L60 HydrophobicContact CB-CD1 4.46Å; V6-L60 HydrophobicContact CB-CD2 4.15Å; V6-L60 HydrophobicContact CG2-CD1 4.05Å; V6-L60 HydrophobicContact CG2-CD2 4.02Å; V6-K61 CarbonylContact C-O 3.33Å; V6-K61 WeakPolarHBondContact CA-O 3.31Å; V6-V62 HydrophobicContact CG1-CG2 4.02Å
7	K	94	Very high	81.3	Confident	86 Å²	86	83.8 Å²	83.8	37%	0.374	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.9	-179.1	-174.7	178.4	178.7	-179.8	0	110.3	L9 E28 L60 K61 L63	K7-L9 PolarHBondContact O-N 3.31Å; K7-E28 CarbonylContact C-O 3.56Å; K7-E28 WeakPolarHBondContact CA-O 3.45Å; K7-L60 WeakPolarHBondContact O-CA 3.37Å; K7-K61 PolarHBondContact N-O 2.98Å; K7-K61 PolarHBondContact O-N 2.88Å; K7-L63 HydrophobicContact CB-CD1 4.26Å; K7-L63 HydrophobicContact CB-CD2 4Å; K7-L63 HydrophobicContact CB-CG 4.17Å; K7-L63 HydrophobicContact CD-CD2 4.36Å
8	A	93.5	Very high	80.9	Confident	3 Å²	3	91.4 Å²	91.4	3%	0.025	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.8	172.1	0	0	0	0	0	111	V24 G27 E28 F30 Y59 L60	A8-V24 HydrophobicContact CB-CG1 3.63Å; A8-G27 PolarHBondContact O-N 3.22Å; A8-E28 PolarHBondContact N-O 2.68Å; A8-F30 HydrophobicContact CB-CE2 4.18Å; A8-Y59 WeakPolarHBondContact CA-O 3.4Å; A8-L60 HydrophobicContact CB-CD2 4.48Å
9	L	91.4	Very high	80.3	Confident	77 Å²	77	89.6 Å²	89.6	40%	0.403	46%	0.462	S	S	.	.	S	Bend	trans	-87	-27.8	177.7	-65.2	177.2	0	0	0	112.6	K7 Y59 K61	K7-L9 PolarHBondContact O-N 3.31Å; L9-Y59 PolarHBondContact N-O 3.43Å; L9-K61 HydrophobicContact CD1-CB 4.31Å; L9-K61 HydrophobicContact CD2-CB 3.84Å; L9-K61 HydrophobicContact CG-CB 4.18Å
10	Y	90.6	Very high	80	Confident	136 Å²	136	91.6 Å²	91.6	53%	0.533	47%	0.469	S	S	.	.	S	Bend	trans	-137.4	161.4	-176.4	-48.3	-69.9	0	0	0	109.6	Y59	Y10-Y59 HydrophobicContact CD2-CD1 4.03Å; Y10-Y59 HydrophobicContact CD2-CD2 4.34Å; Y10-Y59 HydrophobicContact CD2-CE1 4.23Å; Y10-Y59 HydrophobicContact CD2-CG 4.09Å; Y10-Y59 HydrophobicContact CG-CD1 4.44Å; Y10-Y59 HydrophobicContact CG-CE1 4.43Å
11	N	88.2	Confident	79.9	Confident	91 Å²	91	89.5 Å²	89.5	49%	0.487	47%	0.47	S	S	.	.			trans	-64.5	140.8	166.9	-64.7	0.1	0	0	0	109.1	V24 A26	N11-V24 CarbonylContact C-O 3.56Å; N11-V24 VanDerWaalsContact CA-O 3.29Å; N11-V24 WeakPolarHBondContact CA-O 3.21Å; N11-A26 WeakPolarHBondContact OD1-CB 3.13Å; N11-A26 PolarHBondContact OD1-N 3.1Å
12	Y	87.7	Confident	81.7	Confident	35 Å²	35	79.4 Å²	79.4	14%	0.137	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	115.3	176.1	179.5	-92.8	0	0	0	109.5	S14 I22 V24 L55 P56 Y59	Y12-S14 WeakPolarHBondContact OH-CB 3.38Å; Y12-S14 PolarHBondContact OH-OG 3.41Å; Y12-I22 HydrophobicContact CD1-CG2 4.33Å; Y12-I22 HydrophobicContact CE1-CG2 4.39Å; Y12-V24 PolarHBondContact N-O 3.07Å; Y12-V24 PolarHBondContact O-N 3.09Å; Y12-L55 HydrophobicContact CD1-CD2 3.18Å; Y12-L55 HydrophobicContact CE1-CD2 3.53Å; Y12-L55 HydrophobicContact CG-CD2 3.88Å; Y12-P56 HydrophobicContact CD2-CG 3.93Å; Y12-P56 HydrophobicContact CE2-CG 3.53Å; Y12-Y59 HydrophobicContact CD2-CD1 4.07Å; Y12-Y59 HydrophobicContact CD2-CE1 4.05Å; Y12-Y59 HydrophobicContact CG-CD1 4.46Å
13	D	87.5	Confident	83.3	Confident	103 Å²	103	80.2 Å²	80.2	55%	0.551	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.7	178	-59.6	-68	0	0	0	108.7	I22 H23	D13-I22 WeakPolarHBondContact CA-O 3.33Å; D13-H23 IonicContact OD1-CE1 2.94Å; D13-H23 IonicContact OD1-CG 2.86Å; D13-H23 IonicContact OD1-ND1 3.81Å; D13-H23 PolarHBondContact OD1-ND1 3.15Å
14	S	83.6	Confident	84.1	Confident	38 Å²	38	75.8 Å²	75.8	27%	0.266	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	173.2	-176.9	-171.6	0	0	0	0	110.4	Y12 I22	Y12-S14 WeakPolarHBondContact OH-CB 3.38Å; Y12-S14 PolarHBondContact OH-OG 3.41Å; S14-I22 PolarHBondContact N-O 2.72Å; S14-I22 PolarHBondContact O-N 3.5Å
15	T	79.2	Confident	84.2	Confident	63 Å²	63	78 Å²	78	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.5	176.5	-34.9	0	0	0	0	109.1	G19 H20 L251	T15-G19 WeakPolarHBondContact CG2-O 3.32Å; T15-H20 WeakPolarHBondContact CA-O 3.44Å; T15-L251 VanDerWaalsContact CB-CD1 3.47Å; T15-L251 HydrophobicContact CG2-CD1 4.16Å
16	T	74.2	Confident	84.2	Confident	47 Å²	47	78.4 Å²	78.4	29%	0.288	41%	0.41	S	S	.	.			trans	-66.8	161	174.8	58.8	0	0	0	0	111.7	R18 G19 H20 I22	T16-R18 PolarHBondContact O-N 3.1Å; T16-R18 VanDerWaalsContact O-N 3.08Å; T16-G19 PolarHBondContact O-N 2.84Å; T16-H20 PolarHBondContact N-O 2.85Å; T16-H20 WeakPolarHBondContact OG1-CB 3.19Å; T16-H20 PolarHBondContact OG1-N 3.29Å; T16-H20 PolarHBondContact OG1-O 3.16Å; T16-H20 VanDerWaalsContact OG1-O 3.09Å; T16-I22 HydrophobicContact CG2-CD1 3.68Å; T16-I22 HydrophobicContact CG2-CG1 4.1Å
17	E	68.4	Low	84	Confident	209 Å²	209	80.1 Å²	80.1	98%	0.977	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.5	170.4	-60.9	177.9	162.2	0	0	112.8	G19	E17-G19 VanDerWaalsContact C-N 3.28Å; E17-G19 PolarHBondContact O-N 2.8Å
18	R	75.2	Confident	83.9	Confident	220 Å²	220	78.5 Å²	78.5	83%	0.83	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	16.8	174.1	-51.5	-171.8	-166.5	-161.3	5.6	113.4	T16 H20	T16-R18 PolarHBondContact O-N 3.1Å; T16-R18 VanDerWaalsContact O-N 3.08Å; R18-H20 PolarHBondContact O-N 2.85Å; R18-H20 PolarHBondContact O-ND1 2.87Å
19	G	68.2	Low	83.9	Confident	57 Å²	57	84.7 Å²	84.7	59%	0.588	45%	0.448	S	S	*	.	S	Bend	trans	69.4	-0	178.2	0	0	0	0	0	116	T15 T16 E17 G21	T15-G19 WeakPolarHBondContact CG2-O 3.32Å; T16-G19 PolarHBondContact O-N 2.84Å; E17-G19 VanDerWaalsContact C-N 3.28Å; E17-G19 PolarHBondContact O-N 2.8Å; G19-G21 PolarHBondContact O-N 2.92Å
20	H	75.7	Confident	83.9	Confident	130 Å²	130	81.2 Å²	81.2	60%	0.602	43%	0.429	S	S	*	.			trans	-77	124.1	178.6	-68.3	52.3	0	0	0	110	T15 T16 R18	T15-H20 WeakPolarHBondContact CA-O 3.44Å; T16-H20 PolarHBondContact N-O 2.85Å; T16-H20 WeakPolarHBondContact OG1-CB 3.19Å; T16-H20 PolarHBondContact OG1-N 3.29Å; T16-H20 PolarHBondContact OG1-O 3.16Å; T16-H20 VanDerWaalsContact OG1-O 3.09Å; R18-H20 PolarHBondContact O-N 2.85Å; R18-H20 PolarHBondContact O-ND1 2.87Å
21	G	77.2	Confident	83.9	Confident	48 Å²	48	79 Å²	79	50%	0.495	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.4	176.5	0	0	0	0	0	112.1	G19	G19-G21 PolarHBondContact O-N 2.92Å
22	I	84.3	Confident	84	Confident	18 Å²	18	76.5 Å²	76.5	9%	0.092	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.4	169.5	-62.6	160.8	0	0	0	106.5	Y12 D13 S14 T16 V24 F53 L55	Y12-I22 HydrophobicContact CD1-CG2 4.33Å; Y12-I22 HydrophobicContact CE1-CG2 4.39Å; D13-I22 WeakPolarHBondContact CA-O 3.33Å; S14-I22 PolarHBondContact N-O 2.72Å; S14-I22 PolarHBondContact O-N 3.5Å; T16-I22 HydrophobicContact CG2-CD1 3.68Å; T16-I22 HydrophobicContact CG2-CG1 4.1Å; I22-V24 HydrophobicContact CG2-CG2 4.03Å; I22-F53 HydrophobicContact CD1-CB 3.72Å; I22-F53 HydrophobicContact CD1-CD2 4.16Å; I22-F53 HydrophobicContact CD1-CG 4.12Å; I22-F53 HydrophobicContact CG1-CB 4.08Å; I22-F53 HydrophobicContact CG1-CD2 4.24Å; I22-F53 HydrophobicContact CG1-CG 4.08Å; I22-F53 HydrophobicContact CG2-CD2 3.57Å; I22-F53 HydrophobicContact CG2-CE2 3.51Å; I22-F53 HydrophobicContact CG2-CG 4.18Å; I22-F53 HydrophobicContact CG2-CZ 4.08Å; I22-L55 HydrophobicContact CG2-CD2 4.41Å
23	H	88.3	Confident	84	Confident	131 Å²	131	78.1 Å²	78.1	61%	0.606	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	118.9	171.5	-67	-70.4	0	0	0	108.9	D13	D13-H23 IonicContact OD1-CE1 2.94Å; D13-H23 IonicContact OD1-CG 2.86Å; D13-H23 IonicContact OD1-ND1 3.81Å; D13-H23 PolarHBondContact OD1-ND1 3.15Å
24	V	88.9	Confident	83.9	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.006	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.8	180	168	0	0	0	0	109.1	A8 N11 Y12 I22 F30 F53 L55	A8-V24 HydrophobicContact CB-CG1 3.63Å; N11-V24 CarbonylContact C-O 3.56Å; N11-V24 VanDerWaalsContact CA-O 3.29Å; N11-V24 WeakPolarHBondContact CA-O 3.21Å; Y12-V24 PolarHBondContact N-O 3.07Å; Y12-V24 PolarHBondContact O-N 3.09Å; I22-V24 HydrophobicContact CG2-CG2 4.03Å; V24-F30 HydrophobicContact CB-CZ 4.14Å; V24-F30 HydrophobicContact CG1-CE2 3.7Å; V24-F30 HydrophobicContact CG1-CZ 3.57Å; V24-F30 HydrophobicContact CG2-CE1 4.05Å; V24-F30 HydrophobicContact CG2-CE2 4.41Å; V24-F30 HydrophobicContact CG2-CZ 3.58Å; V24-F53 HydrophobicContact CG2-CE2 3.76Å; V24-F53 HydrophobicContact CG2-CZ 3.84Å; V24-L55 HydrophobicContact CG1-CD1 4.34Å; V24-L55 HydrophobicContact CG2-CD1 4.27Å; V24-L55 HydrophobicContact CG2-CD2 4.14Å
25	L	88.8	Confident	84	Confident	100 Å²	100	77.6 Å²	77.6	52%	0.524	41%	0.414	S	S	.	.			trans	-98.2	146.2	178.2	-61.4	176.2	0	0	0	111.4	G27 E28	L25-G27 PolarHBondContact O-N 3.34Å; L25-E28 HydrophobicContact CB-CG 4.14Å; L25-E28 PolarHBondContact N-OE2 2.85Å; L25-E28 WeakPolarHBondContact O-CB 3.36Å; L25-E28 WeakPolarHBondContact O-CG 3.48Å; L25-E28 PolarHBondContact O-N 2.71Å
26	A	89.7	Confident	83.9	Confident	53 Å²	53	79.6 Å²	79.6	44%	0.438	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	123.3	171.7	0	0	0	0	0	109.7	N11	N11-A26 WeakPolarHBondContact OD1-CB 3.13Å; N11-A26 PolarHBondContact OD1-N 3.1Å
27	G	88.8	Confident	84.2	Confident	36 Å²	36	80.7 Å²	80.7	37%	0.371	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.4	-18.8	-176.7	0	0	0	0	0	115.6	A8 L25	A8-G27 PolarHBondContact O-N 3.22Å; L25-G27 PolarHBondContact O-N 3.34Å
28	E	92.6	Very high	84.7	Confident	53 Å²	53	78.7 Å²	78.7	25%	0.248	41%	0.414	C	S	.	.			trans	-63.5	145.1	178.3	-69.8	-161.1	121.2	0	0	112.5	K7 A8 L25 F30 K45	K7-E28 CarbonylContact C-O 3.56Å; K7-E28 WeakPolarHBondContact CA-O 3.45Å; A8-E28 PolarHBondContact N-O 2.68Å; L25-E28 HydrophobicContact CB-CG 4.14Å; L25-E28 PolarHBondContact N-OE2 2.85Å; L25-E28 WeakPolarHBondContact O-CB 3.36Å; L25-E28 WeakPolarHBondContact O-CG 3.48Å; L25-E28 PolarHBondContact O-N 2.71Å; E28-F30 HydrophobicContact CB-CE2 3.61Å; E28-F30 HydrophobicContact CB-CZ 3.7Å; E28-K45 VanDerWaalsContact OE1-CE 3.28Å; E28-K45 WeakPolarHBondContact OE1-CE 3.42Å; E28-K45 IonicContact OE1-NZ 3.67Å; E28-K45 PolarHBondContact OE1-NZ 3.07Å; E28-K45 WeakPolarHBondContact OE2-CE 3.46Å; E28-K45 IonicContact OE2-NZ 3.5Å; E28-K45 PolarHBondContact OE2-NZ 3.25Å
29	K	92.5	Very high	85.4	Confident	133 Å²	133	74 Å²	74	58%	0.578	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.3	178.2	-63.5	-176.6	-177.5	-176.4	0	110.3	I5 V6 L63	I5-K29 HydrophobicContact CG2-CB 3.95Å; I5-K29 HydrophobicContact CG2-CD 4.24Å; I5-K29 HydrophobicContact CG2-CG 4.33Å; V6-K29 CarbonylContact O-C 3.58Å; V6-K29 WeakPolarHBondContact O-CA 3.23Å; K29-L63 HydrophobicContact CD-CD1 3.84Å; K29-L63 HydrophobicContact CG-CD1 4.11Å
30	F	92.2	Very high	86.4	Confident	3 Å²	3	75.9 Å²	75.9	1%	0.013	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.6	176.6	-52.1	-94	0	0	0	109.7	I5 V6 A8 V24 E28 V43 K45 F53 L55 L60	I5-F30 CarbonylContact C-O 3.58Å; I5-F30 WeakPolarHBondContact CA-O 3.45Å; V6-F30 HydrophobicContact CG2-CB 4.04Å; V6-F30 PolarHBondContact N-O 3.39Å; V6-F30 PolarHBondContact O-N 3.2Å; A8-F30 HydrophobicContact CB-CE2 4.18Å; V24-F30 HydrophobicContact CB-CZ 4.14Å; V24-F30 HydrophobicContact CG1-CE2 3.7Å; V24-F30 HydrophobicContact CG1-CZ 3.57Å; V24-F30 HydrophobicContact CG2-CE1 4.05Å; V24-F30 HydrophobicContact CG2-CE2 4.41Å; V24-F30 HydrophobicContact CG2-CZ 3.58Å; E28-F30 HydrophobicContact CB-CE2 3.61Å; E28-F30 HydrophobicContact CB-CZ 3.7Å; F30-V43 HydrophobicContact CB-CB 3.85Å; F30-V43 HydrophobicContact CB-CG2 4.05Å; F30-V43 HydrophobicContact CD1-CG2 4.14Å; F30-V43 HydrophobicContact CG-CB 4.44Å; F30-V43 HydrophobicContact CG-CG2 4.09Å; F30-K45 HydrophobicContact CD1-CG 3.65Å; F30-K45 HydrophobicContact CE1-CD 3.99Å; F30-K45 VanDerWaalsContact CE1-CE 3.48Å; F30-K45 HydrophobicContact CE1-CG 3.6Å; F30-F53 HydrophobicContact CD1-CZ 4.06Å; F30-F53 HydrophobicContact CE1-CE2 4.32Å; F30-F53 AromaticContact CE1-CZ 3.63Å; F30-F53 HydrophobicContact CE1-CZ 3.63Å; F30-F53 HydrophobicContact CZ-CZ 4.48Å; F30-L55 HydrophobicContact CD2-CD1 4.36Å; F30-L55 HydrophobicContact CE2-CD1 4.29Å; F30-L60 HydrophobicContact CD2-CD2 4.44Å
31	R	89.5	Confident	87.2	Confident	90 Å²	90	71 Å²	71	34%	0.34	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.3	166.8	-58.6	-177.2	-166.1	-82.7	-7.3	108.5	Q3 V43 S44	Q3-R31 VanDerWaalsContact OE1-CZ 3.31Å; R31-V43 VanDerWaalsContact O-CA 3.28Å; R31-V43 WeakPolarHBondContact O-CA 3.47Å; R31-S44 PolarHBondContact N-O 2.87Å; R31-S44 PolarHBondContact O-N 3.15Å
32	L	90.8	Very high	87.8	Confident	38 Å²	38	71.4 Å²	71.4	20%	0.199	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.8	172.6	-177.5	64.9	0	0	0	109.3	T4 V6 S34 W41 V43	T4-L32 HydrophobicContact CG2-CB 4.29Å; T4-L32 HydrophobicContact CG2-CD2 4.07Å; T4-L32 PolarHBondContact O-N 2.83Å; V6-L32 HydrophobicContact CG1-CB 4.16Å; V6-L32 HydrophobicContact CG2-CB 4.48Å; L32-S34 WeakPolarHBondContact CD1-O 3.24Å; L32-W41 HydrophobicContact CD1-CB 3.63Å; L32-W41 HydrophobicContact CD1-CD2 3.77Å; L32-W41 HydrophobicContact CD1-CE3 4.14Å; L32-W41 HydrophobicContact CD1-CG 3.6Å; L32-W41 HydrophobicContact CD2-CD2 4.37Å; L32-W41 HydrophobicContact CD2-CZ2 4.5Å; L32-V43 HydrophobicContact CD1-CG1 4.13Å
33	I	87.5	Confident	88.2	Confident	69 Å²	69	70.5 Å²	70.5	35%	0.354	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-49.9	-177.2	-52.4	-60.2	0	0	0	110.5	Y42 L47 A49	I33-Y42 HydrophobicContact CB-CD1 3.75Å; I33-Y42 HydrophobicContact CB-CE1 4.44Å; I33-Y42 WeakPolarHBondContact CB-O 3.44Å; I33-Y42 HydrophobicContact CG1-CD1 4.35Å; I33-Y42 HydrophobicContact CG2-CD1 3.75Å; I33-Y42 HydrophobicContact CG2-CE1 4.17Å; I33-Y42 PolarHBondContact N-O 2.88Å; I33-L47 HydrophobicContact CD1-CD2 3.85Å; I33-A49 HydrophobicContact CD1-CB 3.99Å; I33-A49 HydrophobicContact CG1-CB 4.12Å; I33-A49 HydrophobicContact CG2-CB 4.44Å
34	S	86.2	Confident	88.2	Confident	36 Å²	36	64.3 Å²	64.3	25%	0.252	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.8	173.6	69.3	0	0	0	0	111.8	L32 E36 Y42	L32-S34 WeakPolarHBondContact CD1-O 3.24Å; S34-E36 WeakPolarHBondContact CB-OE2 3.27Å; S34-E36 PolarHBondContact OG-OE2 3.39Å; S34-Y42 PolarHBondContact N-O 3.07Å; S34-Y42 PolarHBondContact O-N 3.26Å; S34-Y42 WeakPolarHBondContact OG-CB 3.42Å
35	D	85.9	Confident	88	Confident	95 Å²	95	69 Å²	69	51%	0.508	34%	0.341	S	S	.	.			trans	-117.2	68.5	-177.5	140.6	-103.2	0	0	0	107.9	N37 W41 K57	D35-N37 VanDerWaalsContact C-N 3.27Å; D35-N37 PolarHBondContact O-N 2.85Å; D35-N37 VanDerWaalsContact O-N 3.13Å; D35-W41 PolarHBondContact OD2-NE1 3.31Å; D35-K57 IonicContact OD2-NZ 2.73Å; D35-K57 PolarHBondContact OD2-NZ 3.39Å
36	E	76.9	Confident	87.5	Confident	104 Å²	104	68.1 Å²	68.1	49%	0.486	34%	0.339	S	S	.	.			trans	-60.7	-27.4	-160.5	-147.5	64.1	-149.2	0	0	114.9	S34 W40 Y54	S34-E36 WeakPolarHBondContact CB-OE2 3.27Å; S34-E36 PolarHBondContact OG-OE2 3.39Å; E36-W40 PolarHBondContact N-O 3.44Å; E36-Y54 HydrophobicContact CB-CE1 3.97Å; E36-Y54 HydrophobicContact CG-CE1 3.87Å
37	N	80.1	Confident	86.4	Confident	71 Å²	71	69.7 Å²	69.7	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	-169.5	-176.6	174.6	52.6	74.6	0	0	0	111.3	D35 H39 W40	D35-N37 VanDerWaalsContact C-N 3.27Å; D35-N37 PolarHBondContact O-N 2.85Å; D35-N37 VanDerWaalsContact O-N 3.13Å; N37-H39 PolarHBondContact O-N 2.97Å; N37-H39 WeakPolarHBondContact OD1-CA 3.47Å; N37-H39 PolarHBondContact OD1-N 3.21Å; N37-W40 VanDerWaalsContact OD1-CD1 3.31Å; N37-W40 PolarHBondContact OD1-N 3.03Å
38	E	80.2	Confident	85	Confident	166 Å²	166	72.1 Å²	72.1	78%	0.776	35%	0.349	S	S	*	.	S	Bend	trans	-58.8	-14.8	178.1	-64.3	-167.3	156.5	0	0	115.1
39	H	88	Confident	83.6	Confident	121 Å²	121	71 Å²	71	56%	0.56	35%	0.349	S	S	*	.	S	Bend	trans	-121.7	-20.6	-170.8	-60.7	-10.8	0	0	0	114.2	N37 P56 K57	N37-H39 PolarHBondContact O-N 2.97Å; N37-H39 WeakPolarHBondContact OD1-CA 3.47Å; N37-H39 PolarHBondContact OD1-N 3.21Å; H39-P56 CarbonylContact O-C 3.45Å; H39-P56 WeakPolarHBondContact O-CA 3.14Å; H39-K57 PolarHBondContact O-N 3.02Å
40	W	90.2	Very high	82.3	Confident	98 Å²	98	72.4 Å²	72.4	37%	0.371	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139	-172.1	-61.5	97.7	0	0	0	112.7	E36 N37 Y54 P56	E36-W40 PolarHBondContact N-O 3.44Å; N37-W40 VanDerWaalsContact OD1-CD1 3.31Å; N37-W40 PolarHBondContact OD1-N 3.03Å; W40-Y54 HydrophobicContact CB-CD1 4.47Å; W40-P56 HydrophobicContact CE3-CG 4.34Å; W40-P56 HydrophobicContact CH2-CG 4.15Å; W40-P56 HydrophobicContact CZ3-CB 4.49Å; W40-P56 HydrophobicContact CZ3-CG 3.76Å
41	W	92.4	Very high	81.4	Confident	27 Å²	27	78 Å²	78	10%	0.102	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	174.5	-85.6	-4.1	0	0	0	109.4	V6 L32 D35 V43 Y54 L55 K57 L60 V62	V6-W41 HydrophobicContact CG1-CE3 4.06Å; V6-W41 HydrophobicContact CG1-CZ3 3.74Å; L32-W41 HydrophobicContact CD1-CB 3.63Å; L32-W41 HydrophobicContact CD1-CD2 3.77Å; L32-W41 HydrophobicContact CD1-CE3 4.14Å; L32-W41 HydrophobicContact CD1-CG 3.6Å; L32-W41 HydrophobicContact CD2-CD2 4.37Å; L32-W41 HydrophobicContact CD2-CZ2 4.5Å; D35-W41 PolarHBondContact OD2-NE1 3.31Å; W41-V43 HydrophobicContact CB-CG1 4.38Å; W41-Y54 WeakPolarHBondContact O-CA 3.15Å; W41-L55 PolarHBondContact N-O 3.13Å; W41-L55 PolarHBondContact O-N 3.48Å; W41-K57 HydrophobicContact CD2-CB 4.38Å; W41-K57 HydrophobicContact CD2-CD 4.43Å; W41-K57 HydrophobicContact CD2-CG 3.94Å; W41-K57 HydrophobicContact CE3-CG 4.48Å; W41-K57 HydrophobicContact CG-CB 4.35Å; W41-K57 HydrophobicContact CG-CG 4.28Å; W41-K57 HydrophobicContact CH2-CG 4.48Å; W41-K57 HydrophobicContact CZ2-CD 4.19Å; W41-K57 HydrophobicContact CZ2-CG 3.98Å; W41-L60 HydrophobicContact CB-CD1 4.17Å; W41-L60 HydrophobicContact CE3-CB 3.77Å; W41-L60 HydrophobicContact CE3-CD1 3.79Å; W41-L60 HydrophobicContact CE3-CG 4.45Å; W41-L60 HydrophobicContact CZ3-CB 3.88Å; W41-V62 HydrophobicContact CH2-CG2 3.68Å; W41-V62 HydrophobicContact CZ3-CG2 4.08Å
42	Y	91	Very high	81.1	Confident	56 Å²	56	74.4 Å²	74.4	22%	0.22	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.1	174.6	-166.7	-124.4	0	0	0	108.9	I33 S34 G52 Y54	I33-Y42 HydrophobicContact CB-CD1 3.75Å; I33-Y42 HydrophobicContact CB-CE1 4.44Å; I33-Y42 WeakPolarHBondContact CB-O 3.44Å; I33-Y42 HydrophobicContact CG1-CD1 4.35Å; I33-Y42 HydrophobicContact CG2-CD1 3.75Å; I33-Y42 HydrophobicContact CG2-CE1 4.17Å; I33-Y42 PolarHBondContact N-O 2.88Å; S34-Y42 PolarHBondContact N-O 3.07Å; S34-Y42 PolarHBondContact O-N 3.26Å; S34-Y42 WeakPolarHBondContact OG-CB 3.42Å; Y42-G52 VanDerWaalsContact CE2-O 3.26Å; Y42-G52 WeakPolarHBondContact CE2-O 3.22Å; Y42-G52 VanDerWaalsContact OH-C 3.25Å; Y42-G52 WeakPolarHBondContact OH-CA 3.41Å; Y42-G52 PolarHBondContact OH-O 3.42Å; Y42-Y54 AromaticContact CD2-CD1 3.78Å; Y42-Y54 HydrophobicContact CD2-CD1 3.78Å; Y42-Y54 AromaticContact CD2-CD2 4Å; Y42-Y54 HydrophobicContact CD2-CD2 4Å; Y42-Y54 AromaticContact CD2-CE1 3.6Å; Y42-Y54 HydrophobicContact CD2-CE1 3.6Å; Y42-Y54 AromaticContact CD2-CE2 3.82Å; Y42-Y54 HydrophobicContact CD2-CE2 3.82Å; Y42-Y54 AromaticContact CD2-CG 3.98Å; Y42-Y54 HydrophobicContact CD2-CG 3.98Å; Y42-Y54 AromaticContact CD2-CZ 3.62Å; Y42-Y54 HydrophobicContact CE2-CD2 4.37Å; Y42-Y54 HydrophobicContact CE2-CE2 4.07Å; Y42-Y54 HydrophobicContact CG-CD1 4.29Å; Y42-Y54 AromaticContact CG-CE1 3.93Å; Y42-Y54 HydrophobicContact CG-CE1 3.93Å
43	V	91.4	Very high	81	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.6	-172.8	-55.8	0	0	0	0	111.4	V6 F30 R31 L32 W41 G52 F53 L55 L60	V6-V43 HydrophobicContact CG2-CG1 3.86Å; F30-V43 HydrophobicContact CB-CB 3.85Å; F30-V43 HydrophobicContact CB-CG2 4.05Å; F30-V43 HydrophobicContact CD1-CG2 4.14Å; F30-V43 HydrophobicContact CG-CB 4.44Å; F30-V43 HydrophobicContact CG-CG2 4.09Å; R31-V43 VanDerWaalsContact O-CA 3.28Å; R31-V43 WeakPolarHBondContact O-CA 3.47Å; L32-V43 HydrophobicContact CD1-CG1 4.13Å; W41-V43 HydrophobicContact CB-CG1 4.38Å; V43-G52 CarbonylContact O-C 3.6Å; V43-G52 VanDerWaalsContact O-CA 3.23Å; V43-G52 WeakPolarHBondContact O-CA 3.46Å; V43-F53 HydrophobicContact CG2-CD2 4.18Å; V43-F53 HydrophobicContact CG2-CE2 3.97Å; V43-F53 HydrophobicContact CG2-CZ 4.5Å; V43-F53 PolarHBondContact N-O 2.92Å; V43-F53 PolarHBondContact O-N 2.65Å; V43-L55 HydrophobicContact CG2-CB 4.43Å; V43-L55 HydrophobicContact CG2-CD1 3.75Å; V43-L55 HydrophobicContact CG2-CG 3.88Å; V43-L60 HydrophobicContact CG1-CD1 3.85Å
44	S	89.3	Confident	81.1	Confident	1 Å²	1	76 Å²	76	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.1	166.4	-164.3	0	0	0	0	112.7	R31 T46 N51	R31-S44 PolarHBondContact N-O 2.87Å; R31-S44 PolarHBondContact O-N 3.15Å; S44-T46 WeakPolarHBondContact CB-O 3.22Å; S44-T46 PolarHBondContact OG-N 3.49Å; S44-T46 PolarHBondContact OG-O 3.39Å; S44-N51 PolarHBondContact OG-O 2.97Å
45	K	84.8	Confident	81.4	Confident	100 Å²	100	74.3 Å²	74.3	44%	0.435	37%	0.368	S	S	.	.	S	Bend	trans	-76.7	-25.4	170	-80.5	176.3	166	161.1	0	112	E28 F30	E28-K45 VanDerWaalsContact OE1-CE 3.28Å; E28-K45 WeakPolarHBondContact OE1-CE 3.42Å; E28-K45 IonicContact OE1-NZ 3.67Å; E28-K45 PolarHBondContact OE1-NZ 3.07Å; E28-K45 WeakPolarHBondContact OE2-CE 3.46Å; E28-K45 IonicContact OE2-NZ 3.5Å; E28-K45 PolarHBondContact OE2-NZ 3.25Å; F30-K45 HydrophobicContact CD1-CG 3.65Å; F30-K45 HydrophobicContact CE1-CD 3.99Å; F30-K45 VanDerWaalsContact CE1-CE 3.48Å; F30-K45 HydrophobicContact CE1-CG 3.6Å
46	T	77.5	Confident	81.6	Confident	80 Å²	80	70.5 Å²	70.5	49%	0.491	35%	0.348	S	S	.	.	S	Bend	trans	-129	164.1	-173.4	49	0	0	0	0	112.3	S44	S44-T46 WeakPolarHBondContact CB-O 3.22Å; S44-T46 PolarHBondContact OG-N 3.49Å; S44-T46 PolarHBondContact OG-O 3.39Å
47	L	67.7	Low	82.3	Confident	87 Å²	87	68.9 Å²	68.9	46%	0.455	34%	0.34	S	S	.	.	S	Bend	trans	-125.4	137.6	165.9	-73	170.9	0	0	0	108.1	Q3 I33 A49	Q3-L47 VanDerWaalsContact NE2-CD1 3.29Å; I33-L47 HydrophobicContact CD1-CD2 3.85Å; L47-A49 HydrophobicContact CD2-CB 4.44Å
48	P	59.1	Low	82.8	Confident	87 Å²	87	69.7 Å²	69.7	57%	0.565	35%	0.351	S	S	*	.	S	Bend	cis	-62.8	158.8	-1	28.6	-35.9	0	0	0	113.3	E50	P48-E50 HydrophobicContact CB-CG 4.32Å; P48-E50 HydrophobicContact CG-CG 4.05Å; P48-E50 PolarHBondContact O-N 3.17Å
49	A	62.9	Low	83.4	Confident	30 Å²	30	65.8 Å²	65.8	25%	0.248	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-80.1	35.6	-170.9	0	0	0	0	0	113.6	I33 L47 N51 G52	I33-A49 HydrophobicContact CD1-CB 3.99Å; I33-A49 HydrophobicContact CG1-CB 4.12Å; I33-A49 HydrophobicContact CG2-CB 4.44Å; L47-A49 HydrophobicContact CD2-CB 4.44Å; A49-N51 PolarHBondContact O-N 3.11Å; A49-G52 PolarHBondContact O-N 2.85Å
50	E	65.4	Low	83.6	Confident	162 Å²	162	60.6 Å²	60.6	76%	0.757	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-58.1	-37.1	-178.1	-64.3	175.9	171.1	0	0	112	P48	P48-E50 HydrophobicContact CB-CG 4.32Å; P48-E50 HydrophobicContact CG-CG 4.05Å; P48-E50 PolarHBondContact O-N 3.17Å
51	N	72.3	Confident	83.7	Confident	119 Å²	119	62.2 Å²	62.2	64%	0.636	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-106.1	49.6	171.3	-68.6	-48.3	0	0	0	110.9	S44 A49	S44-N51 PolarHBondContact OG-O 2.97Å; A49-N51 PolarHBondContact O-N 3.11Å
52	G	84.3	Confident	83.7	Confident	16 Å²	16	64.2 Å²	64.2	17%	0.165	33%	0.331	C	S	.	.			trans	-81.8	144.1	167.4	0	0	0	0	0	111.8	Y42 V43 A49	Y42-G52 VanDerWaalsContact CE2-O 3.26Å; Y42-G52 WeakPolarHBondContact CE2-O 3.22Å; Y42-G52 VanDerWaalsContact OH-C 3.25Å; Y42-G52 WeakPolarHBondContact OH-CA 3.41Å; Y42-G52 PolarHBondContact OH-O 3.42Å; V43-G52 CarbonylContact O-C 3.6Å; V43-G52 VanDerWaalsContact O-CA 3.23Å; V43-G52 WeakPolarHBondContact O-CA 3.46Å; A49-G52 PolarHBondContact O-N 2.85Å
53	F	88.6	Confident	83.4	Confident	35 Å²	35	63.6 Å²	63.6	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.6	179.7	56.3	-97.5	0	0	0	112.3	I22 V24 F30 V43 L55	I22-F53 HydrophobicContact CD1-CB 3.72Å; I22-F53 HydrophobicContact CD1-CD2 4.16Å; I22-F53 HydrophobicContact CD1-CG 4.12Å; I22-F53 HydrophobicContact CG1-CB 4.08Å; I22-F53 HydrophobicContact CG1-CD2 4.24Å; I22-F53 HydrophobicContact CG1-CG 4.08Å; I22-F53 HydrophobicContact CG2-CD2 3.57Å; I22-F53 HydrophobicContact CG2-CE2 3.51Å; I22-F53 HydrophobicContact CG2-CG 4.18Å; I22-F53 HydrophobicContact CG2-CZ 4.08Å; V24-F53 HydrophobicContact CG2-CE2 3.76Å; V24-F53 HydrophobicContact CG2-CZ 3.84Å; F30-F53 HydrophobicContact CD1-CZ 4.06Å; F30-F53 HydrophobicContact CE1-CE2 4.32Å; F30-F53 AromaticContact CE1-CZ 3.63Å; F30-F53 HydrophobicContact CE1-CZ 3.63Å; F30-F53 HydrophobicContact CZ-CZ 4.48Å; V43-F53 HydrophobicContact CG2-CD2 4.18Å; V43-F53 HydrophobicContact CG2-CE2 3.97Å; V43-F53 HydrophobicContact CG2-CZ 4.5Å; V43-F53 PolarHBondContact N-O 2.92Å; V43-F53 PolarHBondContact O-N 2.65Å; F53-L55 HydrophobicContact CD2-CD2 4.15Å; F53-L55 HydrophobicContact CD2-CG 4.05Å; F53-L55 HydrophobicContact CE2-CD1 4.05Å; F53-L55 HydrophobicContact CE2-CD2 3.86Å; F53-L55 HydrophobicContact CE2-CG 3.78Å
54	Y	90	Very high	82.2	Confident	104 Å²	104	68.6 Å²	68.6	41%	0.408	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	-179.9	-63.2	-80	0	0	0	111.8	E36 W40 W41 Y42	E36-Y54 HydrophobicContact CB-CE1 3.97Å; E36-Y54 HydrophobicContact CG-CE1 3.87Å; W40-Y54 HydrophobicContact CB-CD1 4.47Å; W41-Y54 WeakPolarHBondContact O-CA 3.15Å; Y42-Y54 AromaticContact CD2-CD1 3.78Å; Y42-Y54 HydrophobicContact CD2-CD1 3.78Å; Y42-Y54 AromaticContact CD2-CD2 4Å; Y42-Y54 HydrophobicContact CD2-CD2 4Å; Y42-Y54 AromaticContact CD2-CE1 3.6Å; Y42-Y54 HydrophobicContact CD2-CE1 3.6Å; Y42-Y54 AromaticContact CD2-CE2 3.82Å; Y42-Y54 HydrophobicContact CD2-CE2 3.82Å; Y42-Y54 AromaticContact CD2-CG 3.98Å; Y42-Y54 HydrophobicContact CD2-CG 3.98Å; Y42-Y54 AromaticContact CD2-CZ 3.62Å; Y42-Y54 HydrophobicContact CE2-CD2 4.37Å; Y42-Y54 HydrophobicContact CE2-CE2 4.07Å; Y42-Y54 HydrophobicContact CG-CD1 4.29Å; Y42-Y54 AromaticContact CG-CE1 3.93Å; Y42-Y54 HydrophobicContact CG-CE1 3.93Å
55	L	91.2	Very high	80.6	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.01	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.5	169.2	-72.6	-174.7	0	0	0	110.5	Y12 I22 V24 F30 W41 V43 F53 K57 L60	Y12-L55 HydrophobicContact CD1-CD2 3.18Å; Y12-L55 HydrophobicContact CE1-CD2 3.53Å; Y12-L55 HydrophobicContact CG-CD2 3.88Å; I22-L55 HydrophobicContact CG2-CD2 4.41Å; V24-L55 HydrophobicContact CG1-CD1 4.34Å; V24-L55 HydrophobicContact CG2-CD1 4.27Å; V24-L55 HydrophobicContact CG2-CD2 4.14Å; F30-L55 HydrophobicContact CD2-CD1 4.36Å; F30-L55 HydrophobicContact CE2-CD1 4.29Å; W41-L55 PolarHBondContact N-O 3.13Å; W41-L55 PolarHBondContact O-N 3.48Å; V43-L55 HydrophobicContact CG2-CB 4.43Å; V43-L55 HydrophobicContact CG2-CD1 3.75Å; V43-L55 HydrophobicContact CG2-CG 3.88Å; F53-L55 HydrophobicContact CD2-CD2 4.15Å; F53-L55 HydrophobicContact CD2-CG 4.05Å; F53-L55 HydrophobicContact CE2-CD1 4.05Å; F53-L55 HydrophobicContact CE2-CD2 3.86Å; F53-L55 HydrophobicContact CE2-CG 3.78Å; L55-K57 PolarHBondContact O-N 3.07Å; L55-L60 HydrophobicContact CB-CD1 3.75Å; L55-L60 HydrophobicContact CB-CG 4.33Å; L55-L60 HydrophobicContact CD1-CD1 4.1Å; L55-L60 HydrophobicContact CD1-CD2 3.94Å; L55-L60 HydrophobicContact CD1-CG 4.29Å
56	P	90.2	Very high	78.3	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.091	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.5	174.9	-19	31.1	0	0	0	111.3	Y12 H39 W40 S58 Y59	Y12-P56 HydrophobicContact CD2-CG 3.93Å; Y12-P56 HydrophobicContact CE2-CG 3.53Å; H39-P56 CarbonylContact O-C 3.45Å; H39-P56 WeakPolarHBondContact O-CA 3.14Å; W40-P56 HydrophobicContact CE3-CG 4.34Å; W40-P56 HydrophobicContact CH2-CG 4.15Å; W40-P56 HydrophobicContact CZ3-CB 4.49Å; W40-P56 HydrophobicContact CZ3-CG 3.76Å; P56-S58 PolarHBondContact O-N 3.36Å; P56-S58 VanDerWaalsContact O-N 3.16Å; P56-Y59 HydrophobicContact CB-CD2 3.79Å; P56-Y59 HydrophobicContact CB-CG 4.18Å; P56-Y59 HydrophobicContact CG-CD2 4.01Å; P56-Y59 HydrophobicContact CG-CG 4.17Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.91Å
57	K	90.8	Very high	76.1	Confident	70 Å²	70	83.4 Å²	83.4	30%	0.304	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29.7	176.1	-172.9	164.7	-174.6	164.5	0	112.2	D35 H39 W41 L55 Y59	D35-K57 IonicContact OD2-NZ 2.73Å; D35-K57 PolarHBondContact OD2-NZ 3.39Å; H39-K57 PolarHBondContact O-N 3.02Å; W41-K57 HydrophobicContact CD2-CB 4.38Å; W41-K57 HydrophobicContact CD2-CD 4.43Å; W41-K57 HydrophobicContact CD2-CG 3.94Å; W41-K57 HydrophobicContact CE3-CG 4.48Å; W41-K57 HydrophobicContact CG-CB 4.35Å; W41-K57 HydrophobicContact CG-CG 4.28Å; W41-K57 HydrophobicContact CH2-CG 4.48Å; W41-K57 HydrophobicContact CZ2-CD 4.19Å; W41-K57 HydrophobicContact CZ2-CG 3.98Å; L55-K57 PolarHBondContact O-N 3.07Å; K57-Y59 VanDerWaalsContact C-N 3.33Å
58	S	90.7	Very high	74.3	Confident	88 Å²	88	86.6 Å²	86.6	62%	0.615	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.3	174.6	52.7	0	0	0	0	115.1	P56	P56-S58 PolarHBondContact O-N 3.36Å; P56-S58 VanDerWaalsContact O-N 3.16Å
59	Y	93	Very high	73	Confident	85 Å²	85	89.3 Å²	89.3	33%	0.333	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-96.4	-3.3	177.7	-85	-125.1	0	0	0	112.5	A8 L9 Y10 Y12 P56 K57	A8-Y59 WeakPolarHBondContact CA-O 3.4Å; L9-Y59 PolarHBondContact N-O 3.43Å; Y10-Y59 HydrophobicContact CD2-CD1 4.03Å; Y10-Y59 HydrophobicContact CD2-CD2 4.34Å; Y10-Y59 HydrophobicContact CD2-CE1 4.23Å; Y10-Y59 HydrophobicContact CD2-CG 4.09Å; Y10-Y59 HydrophobicContact CG-CD1 4.44Å; Y10-Y59 HydrophobicContact CG-CE1 4.43Å; Y12-Y59 HydrophobicContact CD2-CD1 4.07Å; Y12-Y59 HydrophobicContact CD2-CE1 4.05Å; Y12-Y59 HydrophobicContact CG-CD1 4.46Å; P56-Y59 HydrophobicContact CB-CD2 3.79Å; P56-Y59 HydrophobicContact CB-CG 4.18Å; P56-Y59 HydrophobicContact CG-CD2 4.01Å; P56-Y59 HydrophobicContact CG-CG 4.17Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.91Å; K57-Y59 VanDerWaalsContact C-N 3.33Å
60	L	92.5	Very high	71.4	Confident	12 Å²	12	92.6 Å²	92.6	6%	0.063	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.2	-172.2	-72.1	173.8	0	0	0	112.2	V6 K7 A8 F30 W41 V43 L55	V6-L60 HydrophobicContact CB-CB 4.32Å; V6-L60 HydrophobicContact CB-CD1 4.46Å; V6-L60 HydrophobicContact CB-CD2 4.15Å; V6-L60 HydrophobicContact CG2-CD1 4.05Å; V6-L60 HydrophobicContact CG2-CD2 4.02Å; K7-L60 WeakPolarHBondContact O-CA 3.37Å; A8-L60 HydrophobicContact CB-CD2 4.48Å; F30-L60 HydrophobicContact CD2-CD2 4.44Å; W41-L60 HydrophobicContact CB-CD1 4.17Å; W41-L60 HydrophobicContact CE3-CB 3.77Å; W41-L60 HydrophobicContact CE3-CD1 3.79Å; W41-L60 HydrophobicContact CE3-CG 4.45Å; W41-L60 HydrophobicContact CZ3-CB 3.88Å; V43-L60 HydrophobicContact CG1-CD1 3.85Å; L55-L60 HydrophobicContact CB-CD1 3.75Å; L55-L60 HydrophobicContact CB-CG 4.33Å; L55-L60 HydrophobicContact CD1-CD1 4.1Å; L55-L60 HydrophobicContact CD1-CD2 3.94Å; L55-L60 HydrophobicContact CD1-CG 4.29Å
61	K	92.8	Very high	69.8	Low	132 Å²	132	92.2 Å²	92.2	57%	0.574	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.1	169.6	178.7	177.7	178.8	-176.4	0	110	V6 K7 L9	V6-K61 CarbonylContact C-O 3.33Å; V6-K61 WeakPolarHBondContact CA-O 3.31Å; K7-K61 PolarHBondContact N-O 2.98Å; K7-K61 PolarHBondContact O-N 2.88Å; L9-K61 HydrophobicContact CD1-CB 4.31Å; L9-K61 HydrophobicContact CD2-CB 3.84Å; L9-K61 HydrophobicContact CG-CB 4.18Å
62	V	91.2	Very high	68	Low	68 Å²	68	92.1 Å²	92.1	41%	0.412	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.1	170.5	176.8	0	0	0	0	110	T4 V6 W41	T4-V62 HydrophobicContact CG2-CG1 3.81Å; T4-V62 HydrophobicContact CG2-CG2 4.16Å; V6-V62 HydrophobicContact CG1-CG2 4.02Å; W41-V62 HydrophobicContact CH2-CG2 3.68Å; W41-V62 HydrophobicContact CZ3-CG2 4.08Å
63	L	86.5	Confident	65.8	Low	44 Å²	44	97.1 Å²	97.1	23%	0.23	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.7	167.1	-55.9	-176.5	0	0	0	108.7	I5 K7 K29	I5-L63 HydrophobicContact CG2-CD1 3.97Å; I5-L63 PolarHBondContact O-N 2.67Å; K7-L63 HydrophobicContact CB-CD1 4.26Å; K7-L63 HydrophobicContact CB-CD2 4Å; K7-L63 HydrophobicContact CB-CG 4.17Å; K7-L63 HydrophobicContact CD-CD2 4.36Å; K29-L63 HydrophobicContact CD-CD1 3.84Å; K29-L63 HydrophobicContact CG-CD1 4.11Å
64	S	66.1	Low	63.2	Low	104 Å²	104	100 Å²	100	73%	0.727	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-61.9	147.9	162.3	38.4	0	0	0	0	109.8	E66	S64-E66 VanDerWaalsContact C-N 3.33Å; S64-E66 PolarHBondContact O-N 2.86Å
65	V	54.4	Low	60.7	Low	122 Å²	122	101.8 Å²	101.8	74%	0.739	57%	0.572	S	S	*	*	S	Bend	trans	-96.3	60.2	-172.7	-168.8	0	0	0	0	110.5
66	E	36.1	Very low	58.1	Low	173 Å²	173	109.1 Å²	109.1	81%	0.808	61%	0.606	S	S	*	*			trans	-138.8	163.6	170.8	-65.1	-174.1	159.7	0	0	108.3	S64	S64-E66 VanDerWaalsContact C-N 3.33Å; S64-E66 PolarHBondContact O-N 2.86Å
67	E	32.6	Very low	55.4	Low	198 Å²	198	114.4 Å²	114.4	93%	0.925	63%	0.633	S	S	*	*			trans	77.5	69.7	-161.2	-58.8	-179.1	175.7	0	0	114.7
68	N	30	Very low	52.9	Low	153 Å²	153	118 Å²	118	82%	0.818	65%	0.651	S	S	*	*			trans	-90.9	170.2	142.5	-125.9	24.4	0	0	0	108.7
69	D	30.8	Very low	50.3	Low	144 Å²	144	120.1 Å²	120.1	77%	0.77	65%	0.651	S	S	*	*			trans	75.3	146.1	176.6	-59	-18.4	0	0	0	117.1
70	C	30	Very low	47.5	Very low	100 Å²	100	123 Å²	123	68%	0.676	67%	0.667	S	S	*	*			cis	166.4	125.6	-31.9	-101.6	0	0	0	0	104.6
71	N	32.7	Very low	44.7	Very low	153 Å²	153	129.7 Å²	129.7	82%	0.818	70%	0.698	S	S	*	*			trans	52.7	129.5	161.9	-58.9	-18.8	0	0	0	120.8
72	P	32.9	Very low	41.9	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	71%	0.708	S	S	*	*			trans	-87	176.5	159.7	40.4	-36.1	0	0	0	110.9
73	P	37.9	Very low	39.1	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	73%	0.726	S	S	*	*				-135.7	146.1	-52.1	37.2	-22.8	0	0	0	112.6
74	A	35.9	Very low	36.6	Very low	96 Å²	96	139 Å²	139	79%	0.793	75%	0.748	S	S	*	*			trans	-162	128.3	162.1	0	0	0	0	0	113.6
75	D	35.5	Very low	35.1	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	74%	0.743	S	S	*	*			trans	36.6	130.5	138.6	-62.2	-13.5	0	0	0	124.2
76	H	37.5	Very low	34	Very low	157 Å²	157	138.7 Å²	138.7	73%	0.727	74%	0.741	S	S	*	*			trans	73.8	104	139.8	-66.6	-41.9	0	0	0	122.6
77	N	34.3	Very low	33.8	Very low	124 Å²	124	141 Å²	141	66%	0.663	74%	0.742	S	S	*	*				80.3	122.1	118.6	-72	9.5	0	0	0	122.8
78	H	36.8	Very low	33.9	Very low	145 Å²	145	136.1 Å²	136.1	67%	0.671	73%	0.729	S	S	*	*			trans	88	113.5	132.8	-73.9	-49.2	0	0	0	123
79	H	36.6	Very low	34	Very low	134 Å²	134	136.3 Å²	136.3	62%	0.62	73%	0.73	S	S	*	*			trans	77.6	119.7	131	-73	-59.5	0	0	0	122.8
80	H	34.9	Very low	34	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.667	72%	0.719	S	S	*	*				67.9	148.3	129.6	-70.6	-35.3	0	0	0	120.2
81	H	33.3	Very low	34.2	Very low	153 Å²	153	136.2 Å²	136.2	71%	0.708	72%	0.723	S	S	*	*			cis	-169.7	-177.1	-23.8	-132.1	-7.4	0	0	0	108.1
82	Q	33.9	Very low	34.2	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	71%	0.71	S	S	*	*			trans	68.7	146.6	161	-76.2	174.4	19.9	0	0	116.9
83	H	33.2	Very low	34.1	Very low	170 Å²	170	136 Å²	136	79%	0.787	71%	0.707	S	S	*	*			cis	-160.1	173.4	-12.2	-148.8	-130.6	0	0	0	111.2
84	S	33.2	Very low	33.8	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	71%	0.708	S	S	*	*			trans	74.8	139.1	164.5	-140.4	0	0	0	0	116.3
85	S	34.1	Very low	33.4	Very low	87 Å²	87	142.4 Å²	142.4	61%	0.608	71%	0.71	S	S	*	*			cis	-159.3	137.5	3.5	1	0	0	0	0	113.5
86	L	32.3	Very low	33.3	Very low	132 Å²	132	139.3 Å²	139.3	69%	0.691	71%	0.711	S	S	*	*			trans	60.6	129.4	130.8	-59.9	177	0	0	0	120.4
87	W	31.5	Very low	33	Very low	221 Å²	221	138.6 Å²	138.6	84%	0.837	71%	0.713	S	S	*	*			cis	-141.9	144.1	-10.3	-45.8	66.5	0	0	0	105.7
88	S	34.2	Very low	33.1	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	72%	0.718	S	S	*	*			cis	90.6	117.8	24.6	-56.8	0	0	0	0	115.9
89	L	32.2	Very low	33.1	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	72%	0.724	S	S	*	*			trans	151.2	92	164.9	-90.5	149.5	0	0	0	105.6
90	N	32	Very low	32.9	Very low	102 Å²	102	139.1 Å²	139.1	55%	0.545	73%	0.734	S	S	.	*			cis	54.8	129.6	35	-67.5	70.8	0	0	0	110.7	D92	N90-D92 PolarHBondContact ND2-OD2 3Å
91	D	33.3	Very low	33	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	75%	0.746	S	S	*	*			cis	-130.2	155	49.9	-61.9	-38.6	0	0	0	111.8
92	D	33	Very low	32.9	Very low	102 Å²	102	137.2 Å²	137.2	55%	0.545	75%	0.747	S	S	.	*			cis	77.4	137.7	39.8	-57.5	-27.9	0	0	0	112.7	N90	N90-D92 PolarHBondContact ND2-OD2 3Å
93	F	30.1	Very low	32.8	Very low	162 Å²	162	137.8 Å²	137.8	71%	0.711	75%	0.75	S	S	*	*			cis	-159.5	-175.6	-4.7	-143.3	-107.9	0	0	0	111.6
94	H	33	Very low	32.8	Very low	173 Å²	173	139.8 Å²	139.8	80%	0.801	75%	0.752	S	S	*	*			trans	110.7	128.2	153.6	-76.4	-71.1	0	0	0	121.9
95	E	27.1	Very low	32.6	Very low	181 Å²	181	140 Å²	140	85%	0.846	75%	0.754	S	S	*	*			trans	-97.8	173.9	175.9	-59.4	167.4	108.2	0	0	112
96	G	33.5	Very low	32.6	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	76%	0.764	S	S	*	*			trans	-167	61.8	179.9	0	0	0	0	0	115.5
97	N	29.7	Very low	32.4	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	77%	0.766	S	S	*	*			trans	28.6	164	149.4	-112.9	58.6	0	0	0	125
98	D	37.2	Very low	32.3	Very low	144 Å²	144	137 Å²	137	77%	0.77	77%	0.768	S	S	*	*			trans	75	140.8	161	-55.4	-21.5	0	0	0	117.5
99	S	37.3	Very low	32.1	Very low	115 Å²	115	137 Å²	137	80%	0.804	77%	0.766	S	S	*	*			cis	-154.2	161.9	2.6	52.7	0	0	0	0	113.1
100	D	31.3	Very low	31.9	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	77%	0.771	S	S	*	*			trans	-65.5	151.7	179.2	-66.1	-75.2	0	0	0	117.1
101	V	38.6	Very low	31.7	Very low	152 Å²	152	138.6 Å²	138.6	92%	0.921	79%	0.785	S	S	*	*			trans	-146.4	139.5	131.9	-175.8	0	0	0	0	109.1
102	S	29.9	Very low	31.3	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	79%	0.786	S	S	*	*			trans	-122.8	144.4	-176	61.7	0	0	0	0	113.5
103	E	32.9	Very low	31	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	80%	0.803	S	S	*	*			trans	-156.6	125	152.7	-134.3	164.8	-168.1	0	0	116.4
104	Y	33.6	Very low	30.8	Very low	211 Å²	211	137.8 Å²	137.8	83%	0.827	80%	0.803	S	S	*	*			trans	40.5	103.6	150.1	-82	-102.7	0	0	0	124.2
105	S	28.5	Very low	30.5	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	81%	0.805	S	S	*	*				0.5	168.5	115.5	-46.9	0	0	0	0	121.2
106	P	34.3	Very low	30.4	Very low	124 Å²	124	134.4 Å²	134.4	81%	0.805	80%	0.798	S	S	*	*			cis	-136	-177.5	8.5	35.1	-12.6	0	0	0	117.3
107	S	26.6	Very low	30.1	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	81%	0.805	S	S	*	*			trans	-84.9	160.9	179.2	55.6	0	0	0	0	116.2
108	V	30.5	Very low	29.8	Very low	147 Å²	147	146.8 Å²	146.8	89%	0.891	81%	0.811	S	S	*	*			trans	-134.3	126.4	158.5	-169.3	0	0	0	0	110.5
109	P	30.6	Very low	29.3	Very low	95 Å²	95	146 Å²	146	62%	0.617	81%	0.811	S	S	*	*			trans	-121.2	176.8	-178.5	38.2	-26	0	0	0	116.1
110	F	27.3	Very low	28.6	Very low	210 Å²	210	145.6 Å²	145.6	92%	0.921	81%	0.808	S	S	*	*			trans	75.7	144	170.6	-70.4	-79.2	0	0	0	119.9
111	G	28.4	Very low	28.3	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	80%	0.799	S	S	*	*			trans	160.7	56.7	-178	0	0	0	0	0	113
112	C	23.1	Very low	27.7	Very low	115 Å²	115	139.1 Å²	139.1	78%	0.777	79%	0.786	S	S	*	*			trans	-95.5	126.1	-175.9	-178.6	0	0	0	0	112.4
113	L	27.8	Very low	27.6	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	79%	0.791	S	S	*	*			trans	-142.5	138.2	153.3	-89.2	-178.2	0	0	0	110.4
114	S	25	Very low	27.4	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	78%	0.784	S	S	*	*			trans	-107.2	139.5	179	55.8	0	0	0	0	110.8
115	E	27.4	Very low	27.4	Very low	183 Å²	183	134.6 Å²	134.6	86%	0.855	78%	0.783	S	S	*	*			trans	-152.6	139.9	154	-155.9	65.2	-94.4	0	0	110.7
116	S	24.1	Very low	27.5	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	78%	0.782	S	S	*	*			trans	-101	127.4	-178.5	-73.5	0	0	0	0	112.6
117	R	28	Very low	27.4	Very low	242 Å²	242	136.2 Å²	136.2	91%	0.913	78%	0.784	S	S	*	*			trans	-162.1	162.4	146.8	-116.6	151.1	-98.4	-138	0.9	115.4
118	R	23.8	Very low	27.5	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	79%	0.786	S	S	*	*			trans	-81.4	178.4	-165.6	-55.4	164.5	179.9	154.1	-3.2	113.2
119	V	26.5	Very low	27.4	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	79%	0.787	S	S	*	*			trans	108.6	98.4	152.2	-172.8	0	0	0	0	117.1
120	S	23	Very low	27.4	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	80%	0.796	S	S	*	*				47.2	131.1	128.5	-48.4	0	0	0	0	123.9
121	A	24.4	Very low	27.4	Very low	75 Å²	75	140.7 Å²	140.7	62%	0.62	79%	0.789	S	S	*	*			trans	88.5	132	134.4	0	0	0	0	0	121.8
122	S	25.2	Very low	27.5	Very low	95 Å²	95	144.3 Å²	144.3	66%	0.664	79%	0.789	S	S	*	*			trans	46.2	101.7	139.1	-53.4	0	0	0	0	120.8
123	I	29.6	Very low	28	Very low	161 Å²	161	146 Å²	146	83%	0.826	79%	0.788	S	S	*	*			trans	-137.6	127.6	150.7	-57.6	-178.3	0	0	0	109.9
124	P	27.9	Very low	28	Very low	112 Å²	112	143.5 Å²	143.5	73%	0.727	78%	0.782	S	S	*	*			trans	-91.7	142.8	170.5	35.1	-31.7	0	0	0	112	S126	P124-S126 PolarHBondContact O-N 3.14Å
125	V	33.3	Very low	28.3	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	79%	0.787	S	S	*	*			trans	-93	96.3	174.9	-176.1	0	0	0	0	110.6
126	S	30.8	Very low	28.6	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	78%	0.778	S	S	*	*			trans	-79.2	119.5	158.2	-71.8	0	0	0	0	108.8	P124 D128	P124-S126 PolarHBondContact O-N 3.14Å; S126-D128 PolarHBondContact O-N 2.64Å
127	L	32.1	Very low	28.8	Very low	162 Å²	162	146.4 Å²	146.4	85%	0.848	79%	0.786	S	S	*	*			trans	-85	62.5	178.9	-162.1	76.5	0	0	0	111.5
128	D	28.5	Very low	29	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	79%	0.786	S	S	*	*			trans	-115	140.3	168.5	-101.2	-51.3	0	0	0	109.4	S126	S126-D128 PolarHBondContact O-N 2.64Å
129	R	28.9	Very low	29.2	Very low	239 Å²	239	143.4 Å²	143.4	90%	0.902	79%	0.786	S	S	*	*			trans	67.7	78.2	-176.5	-55.4	-174.9	172.3	-139	-3.4	116.8
130	L	31	Very low	29.3	Very low	154 Å²	154	142.1 Å²	142.1	81%	0.806	78%	0.783	S	S	*	*			trans	-117.6	92.7	137.8	-85.9	173.8	0	0	0	109.5	L132	L130-L132 PolarHBondContact O-N 3.05Å
131	S	25.7	Very low	29.6	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	79%	0.788	S	S	*	*			trans	-78	106.2	168.1	49.6	0	0	0	0	109.3
132	L	32.3	Very low	29.7	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	79%	0.79	S	S	*	*			trans	-95.9	145.8	173.4	-78.2	167.2	0	0	0	111.4	L130	L130-L132 PolarHBondContact O-N 3.05Å
133	I	32.4	Very low	30	Very low	150 Å²	150	146.8 Å²	146.8	77%	0.769	80%	0.8	S	S	*	*			trans	-85.3	135.3	-163.9	-60.9	161.4	0	0	0	110.5
134	P	27.2	Very low	29.8	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	80%	0.795	S	S	*	*			trans	-97.5	98.2	178.7	35.4	-30.9	0	0	0	113
135	D	32.6	Very low	30	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	80%	0.804	S	S	*	*			trans	-144.2	140.6	165	-95.7	-51.7	0	0	0	109.3
136	S	34.2	Very low	29.9	Very low	96 Å²	96	149.8 Å²	149.8	67%	0.671	80%	0.801	S	S	*	*			cis	-153.3	157.1	-6	67.7	0	0	0	0	112.6
137	K	28.1	Very low	29.7	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	81%	0.806	S	S	*	*			trans	19.1	125.6	159.1	-63	167.4	-176.8	165.2	0	120.3
138	I	32.1	Very low	29.7	Very low	177 Å²	177	151.3 Å²	151.3	91%	0.908	81%	0.807	S	S	*	*				-150.8	153.4	122.1	-104.2	154.1	0	0	0	110.1
139	R	28.3	Very low	29.7	Very low	236 Å²	236	151 Å²	151	89%	0.891	81%	0.81	S	S	*	*			trans	-74.4	172.5	-177.5	-85.2	173.7	160.2	169.3	-8.4	113.1
140	S	26.8	Very low	29.7	Very low	102 Å²	102	143 Å²	143	71%	0.713	80%	0.802	S	S	*	*			cis	165.4	120.6	-28.8	177.6	0	0	0	0	108.7
141	S	30.6	Very low	29.5	Very low	121 Å²	121	139.5 Å²	139.5	85%	0.846	80%	0.804	S	S	*	*			trans	-164.1	104.7	161.9	56	0	0	0	0	111
142	T	26.8	Very low	29.6	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.663	80%	0.801	S	S	*	*			trans	-94.6	143.2	-176.7	-45.7	0	0	0	0	111.6	E144	T142-E144 HydrophobicContact CG2-CG 3.86Å
143	V	31.1	Very low	29.3	Very low	145 Å²	145	141 Å²	141	88%	0.879	80%	0.799	S	S	*	*			trans	-135.4	118.8	149	-178.3	0	0	0	0	107.3
144	E	25.1	Very low	29.1	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.724	80%	0.8	S	S	*	*			trans	-93.6	158.8	174	-72.6	169.9	138.8	0	0	110.7	T142	T142-E144 HydrophobicContact CG2-CG 3.86Å
145	L	32.2	Very low	29.2	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	80%	0.795	S	S	*	*			trans	-159.9	136.8	148.5	-112.6	164	0	0	0	109.3
146	D	31.2	Very low	28.8	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	79%	0.793	S	S	*	*			trans	-86.3	173.7	-155.1	-61.6	-85.3	0	0	0	117
147	D	26.7	Very low	28.7	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	81%	0.805	S	S	*	*			trans	-53.9	154.4	167.5	-74.8	-64.4	0	0	0	113.6
148	V	31.7	Very low	28.8	Very low	144 Å²	144	145.5 Å²	145.5	87%	0.873	81%	0.806	S	S	*	*				-160	135.5	121.4	135.8	0	0	0	0	114.1
149	V	29.3	Very low	28.5	Very low	137 Å²	137	140.5 Å²	140.5	83%	0.83	80%	0.798	S	S	*	*			trans	-50.5	133.8	175.7	173.5	0	0	0	0	116.9
150	G	27.6	Very low	28.7	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	80%	0.8	S	S	*	*				105.3	118	116.3	0	0	0	0	0	122.8
151	G	28.3	Very low	28.8	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	80%	0.804	S	S	*	*			trans	77.3	178.4	151.3	0	0	0	0	0	117.9
152	S	27.2	Very low	29	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	80%	0.803	S	S	*	*			cis	-169.7	116.5	-22.2	168.1	0	0	0	0	112.1
153	Y	26.7	Very low	29	Very low	199 Å²	199	139.7 Å²	139.7	78%	0.78	81%	0.813	S	S	*	*			trans	50.4	130.5	153.1	-75.6	-75.1	0	0	0	123.8
154	F	26.9	Very low	29.1	Very low	183 Å²	183	137.9 Å²	137.9	80%	0.803	81%	0.814	S	S	*	*			trans	65.1	158.4	152.6	-72.7	-60.2	0	0	0	117.9
155	T	29.5	Very low	29.2	Very low	110 Å²	110	135.6 Å²	135.6	68%	0.675	82%	0.821	S	S	*	*			cis	-151.4	160.2	4.4	-10	0	0	0	0	111.9
156	C	23.8	Very low	29.1	Very low	112 Å²	112	132.6 Å²	132.6	76%	0.757	82%	0.822	S	S	*	*			trans	43.3	134.7	147.8	-65.9	0	0	0	0	123.1
157	K	32.8	Very low	29	Very low	210 Å²	210	130.3 Å²	130.3	91%	0.913	82%	0.822	S	S	*	*				-155.3	162	123.4	-113.7	165	-170.7	176.6	0	113
158	H	30	Very low	29.3	Very low	194 Å²	194	130 Å²	130	90%	0.898	83%	0.826	S	S	*	*			trans	-79.4	160.9	-178.3	-74.4	-120.9	0	0	0	112
159	G	26.9	Very low	29.2	Very low	71 Å²	71	131 Å²	131	73%	0.732	83%	0.827	S	S	*	*			trans	-111.7	-178.6	169.8	0	0	0	0	0	113.3
160	T	32.5	Very low	29.3	Very low	153 Å²	153	129.6 Å²	129.6	94%	0.939	83%	0.829	S	S	*	*			trans	-141.5	166.5	172.2	35.1	0	0	0	0	109.6
161	S	29.1	Very low	29.4	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	83%	0.83	S	S	*	*			trans	-105	158.1	-172.6	55.4	0	0	0	0	113.6
162	S	33.6	Very low	29.5	Very low	117 Å²	117	133 Å²	133	82%	0.818	83%	0.829	S	S	*	*			trans	-150.2	139	141.8	55	0	0	0	0	109.8
163	N	27.8	Very low	29.6	Very low	166 Å²	166	133.3 Å²	133.3	89%	0.888	83%	0.827	S	S	*	*			trans	-101.2	145.8	171.3	-71.9	-36.4	0	0	0	108.7
164	A	32.4	Very low	30	Very low	107 Å²	107	130.1 Å²	130.1	88%	0.884	83%	0.827	S	S	*	*			trans	-138.9	129.9	154.4	0	0	0	0	0	107.8
165	A	27.2	Very low	30.1	Very low	107 Å²	107	128.1 Å²	128.1	88%	0.884	82%	0.82	S	S	*	*			trans	-125	144.3	-178.1	0	0	0	0	0	110.1
166	A	31	Very low	30.3	Very low	110 Å²	110	127 Å²	127	91%	0.909	82%	0.822	S	S	*	*			trans	-142.5	132.5	163.1	0	0	0	0	0	107.8
167	A	28.1	Very low	30.6	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	82%	0.822	S	S	*	*			trans	-141.7	145.5	-179.3	0	0	0	0	0	109.6
168	T	33.2	Very low	30.3	Very low	146 Å²	146	123.6 Å²	123.6	90%	0.896	81%	0.808	S	S	*	*			trans	-152.6	148.5	159.6	5.4	0	0	0	0	110.4
169	N	28.8	Very low	30.3	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	81%	0.808	S	S	*	*			trans	-102.1	152.1	-177	-53.5	-67.3	0	0	0	110.8
170	A	32.9	Very low	30.3	Very low	107 Å²	107	127.6 Å²	127.6	88%	0.884	81%	0.811	S	S	*	*			trans	-147.1	144.9	149.1	0	0	0	0	0	108.8
171	A	28.2	Very low	30.1	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	81%	0.809	S	S	*	*			trans	-131.7	163.8	179.5	0	0	0	0	0	109.9
172	T	31.7	Very low	30	Very low	134 Å²	134	130.6 Å²	130.6	82%	0.822	81%	0.812	S	S	*	*				-176.9	111.1	129.4	-75.2	0	0	0	0	111.8
173	T	29.1	Very low	29.8	Very low	110 Å²	110	128.2 Å²	128.2	68%	0.675	81%	0.805	S	S	*	*			trans	-0.7	142.1	140.1	-46.7	0	0	0	0	120.1
174	V	33.4	Very low	29.7	Very low	132 Å²	132	128.2 Å²	128.2	80%	0.8	81%	0.805	S	S	*	*				-167.8	145.1	117.3	152.5	0	0	0	0	111.5
175	H	30.8	Very low	29.6	Very low	141 Å²	141	134.5 Å²	134.5	65%	0.653	81%	0.806	S	S	*	*			trans	-31	165.1	177.8	-68.2	-111.5	0	0	0	119.6
176	A	32.1	Very low	29.4	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	80%	0.801	S	S	*	*			cis	-144.4	140.9	23.9	0	0	0	0	0	111.9
177	Q	29.9	Very low	29.5	Very low	163 Å²	163	137.3 Å²	137.3	76%	0.762	80%	0.795	S	S	*	*				55.1	133.1	84.7	-70.6	-174.4	3.6	0	0	115.9
178	S	28.5	Very low	29.5	Very low	89 Å²	89	144 Å²	144	62%	0.622	80%	0.8	S	S	*	*			cis	-165	167.2	-5.8	72.8	0	0	0	0	113.5
179	R	29.5	Very low	29.2	Very low	233 Å²	233	142.4 Å²	142.4	88%	0.879	80%	0.795	S	S	*	*			trans	63.5	118.7	161.9	-60.1	167.8	-174.7	-173.4	1	116.1
180	S	25.5	Very low	29.3	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	79%	0.793	S	S	*	*			cis	74.3	109.5	46.2	-165.5	0	0	0	0	115
181	L	30.1	Very low	29	Very low	169 Å²	169	140.8 Å²	140.8	89%	0.885	79%	0.79	S	S	*	*			trans	-169.8	145.7	146.2	-106.9	172.2	0	0	0	110.6
182	D	25.3	Very low	29	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	79%	0.79	S	S	*	*			trans	-77.9	160.5	173	-60.7	-85.9	0	0	0	112.5
183	G	30.2	Very low	28.7	Very low	66 Å²	66	140.5 Å²	140.5	68%	0.68	79%	0.792	S	S	*	*			trans	-173.1	102.9	174.9	0	0	0	0	0	116.6
184	D	25.1	Very low	28.4	Very low	167 Å²	167	144.6 Å²	144.6	89%	0.893	80%	0.801	S	S	*	*			trans	-63.1	129.9	165.7	-88.2	-51.7	0	0	0	111.9
185	W	30.8	Very low	28.3	Very low	238 Å²	238	143.7 Å²	143.7	90%	0.902	80%	0.8	S	S	*	*			trans	-139	111.6	165.5	-80.2	90.5	0	0	0	114
186	M	24.2	Very low	28.1	Very low	157 Å²	157	145.1 Å²	145.1	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-89.5	146.8	152.1	-68.8	-179.9	60.6	0	0	109.7
187	P	32.4	Very low	28	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.6	148.7	150.3	-11.7	29.3	0	0	0	110.9
188	R	28.3	Very low	27.9	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-103.6	167.9	173.9	-76.5	-174.4	174.2	-169.2	2.4	111.9
189	S	26	Very low	27.9	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-47.2	141.3	167.7	52.8	0	0	0	0	114.8
190	A	31	Very low	28.1	Very low	102 Å²	102	144.2 Å²	144.2	84%	0.843	80%	0.803	S	S	*	*			trans	-125.9	151.6	151.8	0	0	0	0	0	109.1
191	V	26.3	Very low	28.4	Very low	136 Å²	136	146.3 Å²	146.3	82%	0.824	80%	0.804	S	S	*	*			trans	-144.6	155.7	-176.1	174.4	0	0	0	0	107.9
192	A	28.1	Very low	28.3	Very low	90 Å²	90	146.6 Å²	146.6	74%	0.744	80%	0.801	S	S	*	*			trans	76	150.1	-178.3	0	0	0	0	0	114.6
193	C	26	Very low	28.5	Very low	128 Å²	128	144.9 Å²	144.9	87%	0.865	80%	0.796	S	S	*	*			cis	-147.9	-168.9	-6.2	-133.8	0	0	0	0	112.8
194	F	23.4	Very low	28.6	Very low	196 Å²	196	146.4 Å²	146.4	86%	0.86	80%	0.796	S	S	*	*			trans	-83.6	173.2	-169.4	-110.2	-101.3	0	0	0	116.4
195	S	29.9	Very low	28.9	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	79%	0.792	S	S	*	*			trans	77.2	151.6	161	75.4	0	0	0	0	118.6
196	H	27.1	Very low	28.6	Very low	171 Å²	171	140.5 Å²	140.5	79%	0.792	78%	0.784	S	S	*	*			cis	-166.4	-178.6	-30.8	-163.9	-100.4	0	0	0	108.9
197	V	30.5	Very low	29	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	78%	0.782	S	S	*	*			trans	83.4	97.5	163.5	-167.6	0	0	0	0	119.8
198	E	28.2	Very low	28.7	Very low	138 Å²	138	140.6 Å²	140.6	65%	0.645	78%	0.781	S	S	*	*				31.1	121.3	128.7	-57.2	-164.6	94.7	0	0	126.4
199	K	28.6	Very low	28.8	Very low	180 Å²	180	136.2 Å²	136.2	78%	0.783	78%	0.78	S	S	*	*				81.4	153.5	123.5	-71.3	173.7	-180	154.4	0	123.4
200	P	33.7	Very low	28.8	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	79%	0.786	S	S	*	*			trans	-132.2	166.3	-166.6	43.3	-25.9	0	0	0	117.7
201	I	31.2	Very low	28.6	Very low	160 Å²	160	144.6 Å²	144.6	82%	0.821	78%	0.784	S	S	*	*			trans	-149.9	114.3	159.2	-54	-178.2	0	0	0	105
202	E	27.7	Very low	28.7	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	78%	0.782	S	S	*	*				60	146.1	82.4	-87.1	-168.5	-108.8	0	0	115.8
203	T	29.4	Very low	28.8	Very low	124 Å²	124	145.2 Å²	145.2	76%	0.761	78%	0.784	S	S	*	*			cis	-124.5	-145.6	18.2	49.1	0	0	0	0	111
204	S	32	Very low	28.8	Very low	99 Å²	99	144.1 Å²	144.1	69%	0.692	78%	0.776	S	S	*	*			cis	-154.6	-73.2	6.3	53.5	0	0	0	0	117.1
205	H	31.2	Very low	29.2	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.806	77%	0.771	S	S	*	*			trans	-147.9	163.7	-159.7	-83.8	7.2	0	0	0	113.2
206	C	25.1	Very low	29.4	Very low	107 Å²	107	141.4 Å²	141.4	72%	0.723	76%	0.762	S	S	*	*			cis	169.7	162.4	-28.9	-101.1	0	0	0	0	107.2
207	P	32.4	Very low	29.8	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	76%	0.758	S	S	*	*			cis	-133.5	-171.8	-20.5	41.2	-23.4	0	0	0	114.3
208	E	27.4	Very low	30.1	Very low	165 Å²	165	136.5 Å²	136.5	77%	0.771	75%	0.751	S	S	*	*			trans	69.3	85.7	143.5	-165	150	-126.4	0	0	122.7
209	V	29.5	Very low	30.5	Very low	142 Å²	142	132.4 Å²	132.4	86%	0.861	74%	0.741	S	S	*	*				-142.6	120.5	119	179.8	0	0	0	0	108.7	L211	V209-L211 PolarHBondContact O-N 3.11Å; V209-L211 VanDerWaalsContact O-N 3.11Å
210	R	25.3	Very low	31	Very low	239 Å²	239	127 Å²	127	90%	0.902	72%	0.723	S	S	*	*			trans	-81.4	86.3	-178.7	-76.5	-178.8	172.5	153.9	-2.8	113
211	L	28.2	Very low	31.1	Very low	151 Å²	151	129 Å²	129	79%	0.791	72%	0.72	S	S	*	*			trans	-89.1	114	160.6	-157.4	73.5	0	0	0	109.3	V209 T213	V209-L211 PolarHBondContact O-N 3.11Å; V209-L211 VanDerWaalsContact O-N 3.11Å; L211-T213 PolarHBondContact O-N 3.16Å; L211-T213 PolarHBondContact O-OG1 2.84Å
212	S	28.5	Very low	31.4	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	70%	0.702	S	S	*	*			trans	-75.6	92.6	-173.3	-173.1	0	0	0	0	112.3	C214	S212-C214 PolarHBondContact O-N 2.98Å
213	T	28.5	Very low	31.8	Very low	128 Å²	128	123.2 Å²	123.2	79%	0.785	69%	0.69	S	S	*	*			trans	-75.9	58.2	-178.6	-48.4	0	0	0	0	112.6	L211 H215	L211-T213 PolarHBondContact O-N 3.16Å; L211-T213 PolarHBondContact O-OG1 2.84Å; T213-H215 PolarHBondContact O-N 3.35Å; T213-H215 VanDerWaalsContact O-N 3.15Å
214	C	28	Very low	32.1	Very low	104 Å²	104	122.1 Å²	122.1	70%	0.703	68%	0.676	S	S	*	*			trans	-88.9	48.4	178.1	-161.6	0	0	0	0	112.4	S212	S212-C214 PolarHBondContact O-N 2.98Å
215	H	30.2	Very low	32.4	Very low	163 Å²	163	123.2 Å²	123.2	76%	0.755	67%	0.674	S	S	*	*			trans	-130	70	-173.3	-112.8	-122.8	0	0	0	111.2	T213	T213-H215 PolarHBondContact O-N 3.35Å; T213-H215 VanDerWaalsContact O-N 3.15Å
216	C	35	Very low	32.8	Very low	90 Å²	90	119.7 Å²	119.7	61%	0.608	66%	0.66	S	S	*	*	S	Bend	trans	-160.9	-45.4	163	-103.5	0	0	0	0	114.3	A218 A219 T220	C216-A218 PolarHBondContact O-N 2.85Å; C216-A218 VanDerWaalsContact O-N 3.16Å; C216-A219 WeakPolarHBondContact O-CA 3.12Å; C216-A219 VanDerWaalsContact O-CB 3.32Å; C216-A219 WeakPolarHBondContact O-CB 3.35Å; C216-A219 PolarHBondContact O-N 3.11Å; C216-T220 PolarHBondContact O-N 2.98Å; C216-T220 PolarHBondContact O-OG1 3.35Å
217	V	35.8	Very low	33.3	Very low	115 Å²	115	121.6 Å²	121.6	70%	0.697	66%	0.658	S	S	*	*	H	α-helix	trans	-54.3	-44.1	-162.6	-165.1	0	0	0	0	114.6	A219 T220 F221	V217-A219 PolarHBondContact O-N 3.12Å; V217-T220 WeakPolarHBondContact O-CB 3.36Å; V217-T220 PolarHBondContact O-N 2.95Å; V217-F221 PolarHBondContact O-N 3.33Å
218	A	36.5	Very low	33.3	Very low	68 Å²	68	120.8 Å²	120.8	56%	0.562	65%	0.648	S	S	*	*	H	α-helix	trans	-68.3	-32.5	178.3	0	0	0	0	0	113.4	C216 L222	C216-A218 PolarHBondContact O-N 2.85Å; C216-A218 VanDerWaalsContact O-N 3.16Å; A218-L222 PolarHBondContact O-N 2.86Å
219	A	37.3	Very low	33.4	Very low	53 Å²	53	115.6 Å²	115.6	44%	0.438	64%	0.639	S	S	.	*	H	α-helix	trans	-67.7	-44.5	172	0	0	0	0	0	110	C216 V217 F221 L222 F223	C216-A219 WeakPolarHBondContact O-CA 3.12Å; C216-A219 VanDerWaalsContact O-CB 3.32Å; C216-A219 WeakPolarHBondContact O-CB 3.35Å; C216-A219 PolarHBondContact O-N 3.11Å; V217-A219 PolarHBondContact O-N 3.12Å; A219-F221 PolarHBondContact O-N 2.64Å; A219-L222 PolarHBondContact O-N 3.29Å; A219-F223 WeakPolarHBondContact O-CB 3.45Å; A219-F223 PolarHBondContact O-N 2.85Å
220	T	38.4	Very low	33.4	Very low	67 Å²	67	119.5 Å²	119.5	41%	0.411	64%	0.638	S	S	.	*	H	α-helix	trans	-57.8	-44.4	174.8	-51.8	0	0	0	0	111.6	C216 V217 L222 F223 Q224	C216-T220 PolarHBondContact O-N 2.98Å; C216-T220 PolarHBondContact O-OG1 3.35Å; V217-T220 WeakPolarHBondContact O-CB 3.36Å; V217-T220 PolarHBondContact O-N 2.95Å; T220-L222 PolarHBondContact O-N 3.34Å; T220-F223 CarbonylContact O-C 3.51Å; T220-F223 PolarHBondContact O-N 3.06Å; T220-F223 VanDerWaalsContact O-N 3.09Å; T220-Q224 WeakPolarHBondContact O-CB 3.45Å; T220-Q224 PolarHBondContact O-N 3.47Å
221	F	34.6	Very low	33.6	Very low	160 Å²	160	116.1 Å²	116.1	70%	0.702	64%	0.638	S	S	*	*	H	α-helix	trans	-61.8	-40.6	-179.6	-146.8	-95.8	0	0	0	112.7	V217 A219 L225	V217-F221 PolarHBondContact O-N 3.33Å; A219-F221 PolarHBondContact O-N 2.64Å; F221-L225 PolarHBondContact O-N 3.24Å
222	L	39.3	Very low	33.8	Very low	85 Å²	85	113.1 Å²	113.1	45%	0.445	64%	0.635	S	S	.	*	H	α-helix	trans	-70.9	-31.2	172.9	-80.5	165.9	0	0	0	113.3	A218 A219 T220 L226 I839	A218-L222 PolarHBondContact O-N 2.86Å; A219-L222 PolarHBondContact O-N 3.29Å; T220-L222 PolarHBondContact O-N 3.34Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-I839 HydrophobicContact CD1-CD1 4.02Å; L222-I839 HydrophobicContact CD1-CG1 3.99Å
223	F	35.3	Very low	33.9	Very low	129 Å²	129	115 Å²	115	57%	0.566	63%	0.625	S	S	*	*	H	α-helix	trans	-78.2	-34.3	176.6	-124.7	-93.2	0	0	0	112.9	A219 T220 L225 L226 H227	A219-F223 WeakPolarHBondContact O-CB 3.45Å; A219-F223 PolarHBondContact O-N 2.85Å; T220-F223 CarbonylContact O-C 3.51Å; T220-F223 PolarHBondContact O-N 3.06Å; T220-F223 VanDerWaalsContact O-N 3.09Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 2.85Å; F223-L226 CarbonylContact O-C 3.55Å; F223-L226 WeakPolarHBondContact O-CA 3.49Å; F223-L226 PolarHBondContact O-N 2.94Å; F223-H227 HydrophobicContact CD1-CB 4.38Å; F223-H227 WeakPolarHBondContact O-CB 3.43Å; F223-H227 PolarHBondContact O-N 2.98Å
224	Q	35.2	Very low	34	Very low	100 Å²	100	112.3 Å²	112.3	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-59.7	-44.1	176.7	-141.5	77.3	-11.5	0	0	110.1	T220 L226 H227 N228	T220-Q224 WeakPolarHBondContact O-CB 3.45Å; T220-Q224 PolarHBondContact O-N 3.47Å; Q224-L226 PolarHBondContact O-N 3.44Å; Q224-H227 PolarHBondContact O-N 3.21Å; Q224-N228 PolarHBondContact O-N 3.33Å
225	L	38.4	Very low	34.4	Very low	123 Å²	123	115.1 Å²	115.1	64%	0.644	61%	0.607	S	S	*	*	H	α-helix	trans	-60.4	-22.2	172.5	-75.5	166.9	0	0	0	113.8	F221 F223	F221-L225 PolarHBondContact O-N 3.24Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 2.85Å
226	L	39.3	Very low	34.7	Very low	100 Å²	100	110.3 Å²	110.3	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-103.5	-20.2	-178.8	-69	173	0	0	0	114.1	L222 F223 Q224 R233	L222-L226 WeakPolarHBondContact O-CG 3.28Å; F223-L226 CarbonylContact O-C 3.55Å; F223-L226 WeakPolarHBondContact O-CA 3.49Å; F223-L226 PolarHBondContact O-N 2.94Å; Q224-L226 PolarHBondContact O-N 3.44Å; L226-R233 PolarHBondContact O-NH1 3.03Å; L226-R233 PolarHBondContact O-NH2 3.04Å
227	H	36.3	Very low	35.2	Very low	147 Å²	147	112.2 Å²	112.2	68%	0.681	60%	0.603	S	S	*	*	H	α-helix	trans	-116.1	-24.1	-173.4	-125	-94.5	0	0	0	115.6	F223 Q224	F223-H227 HydrophobicContact CD1-CB 4.38Å; F223-H227 WeakPolarHBondContact O-CB 3.43Å; F223-H227 PolarHBondContact O-N 2.98Å; Q224-H227 PolarHBondContact O-N 3.21Å
228	N	32.9	Very low	35.7	Very low	95 Å²	95	113.2 Å²	113.2	51%	0.508	60%	0.603	S	S	.	*			trans	-83.3	148.4	166.9	-73.9	1.8	0	0	0	110.8	Q224 R233	Q224-N228 PolarHBondContact O-N 3.33Å; N228-R233 PolarHBondContact O-NH2 3.44Å
229	G	29.8	Very low	35.6	Very low	57 Å²	57	118.1 Å²	118.1	59%	0.588	61%	0.608	S	S	*	*			cis	172.7	50.5	-1.2	0	0	0	0	0	110.9
230	R	28.2	Very low	35.9	Very low	224 Å²	224	116.8 Å²	116.8	85%	0.845	60%	0.597	S	S	*	*	S	Bend	trans	74.2	151.2	-167.2	-55.7	171	174.8	141	-0.7	113.8	A232	R230-A232 PolarHBondContact O-N 3.03Å
231	D	29.8	Very low	36	Very low	167 Å²	167	117.4 Å²	117.4	89%	0.893	60%	0.598	S	S	*	*	S	Bend	trans	55.3	-8.5	163.3	-47.1	-38.3	0	0	0	123.3
232	A	31.8	Very low	36.3	Very low	88 Å²	88	114.4 Å²	114.4	73%	0.727	59%	0.593	S	S	*	*			trans	-94.1	7	-178.8	0	0	0	0	0	117.5	R230 S234	R230-A232 PolarHBondContact O-N 3.03Å; A232-S234 PolarHBondContact O-N 3.11Å
233	R	30.7	Very low	36.2	Very low	153 Å²	153	117.6 Å²	117.6	58%	0.577	61%	0.605	S	S	*	*			trans	-101.8	79.8	-161.8	-64.7	-172.6	-178.3	-162.7	-0.1	115.8	L226 N228	L226-R233 PolarHBondContact O-NH1 3.03Å; L226-R233 PolarHBondContact O-NH2 3.04Å; N228-R233 PolarHBondContact O-NH2 3.44Å
234	S	32	Very low	36.2	Very low	71 Å²	71	116.7 Å²	116.7	50%	0.497	61%	0.606	S	S	.	*			trans	-146.8	15.5	175.6	63.9	0	0	0	0	118	A232	A232-S234 PolarHBondContact O-N 3.11Å
235	R	35	Very low	36.3	Very low	162 Å²	162	116.5 Å²	116.5	61%	0.611	62%	0.616	S	S	*	*			trans	-119.1	128.8	169.9	-66.4	-169.5	-176.1	-168.5	9	112.2	A240	R235-A240 HydrophobicContact CB-CB 4.2Å; R235-A240 PolarHBondContact NH1-O 2.92Å
236	S	36.7	Very low	36.4	Very low	62 Å²	62	116.1 Å²	116.1	43%	0.434	62%	0.623	S	S	.	*			trans	-85	142	165.6	64	0	0	0	0	109.2	I238 Y239 A240	S236-I238 PolarHBondContact O-N 2.98Å; S236-Y239 PolarHBondContact O-N 3.36Å; S236-Y239 VanDerWaalsContact O-N 3.1Å; S236-A240 PolarHBondContact O-N 2.76Å; S236-A240 VanDerWaalsContact O-N 3.1Å
237	P	46.4	Very low	37.1	Very low	130 Å²	130	114.9 Å²	114.9	84%	0.844	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	4.5	-175.4	28.6	-35.9	0	0	0	114.4
238	I	46.4	Very low	38.5	Very low	136 Å²	136	113.3 Å²	113.3	70%	0.697	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-23.5	176.1	-59.6	177	0	0	0	111.3	S236	S236-I238 PolarHBondContact O-N 2.98Å
239	Y	34.8	Very low	40.4	Very low	171 Å²	171	110.2 Å²	110.2	67%	0.671	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	14.2	-178.5	-67.4	-77.6	0	0	0	113.6	S236 N241 V242	S236-Y239 PolarHBondContact O-N 3.36Å; S236-Y239 VanDerWaalsContact O-N 3.1Å; Y239-N241 PolarHBondContact O-N 3.48Å; Y239-V242 PolarHBondContact O-N 2.74Å
240	A	42.2	Very low	42.4	Very low	26 Å²	26	109.4 Å²	109.4	22%	0.215	59%	0.588	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-13.4	-173.6	0	0	0	0	0	115.2	R235 S236	R235-A240 HydrophobicContact CB-CB 4.2Å; R235-A240 PolarHBondContact NH1-O 2.92Å; S236-A240 PolarHBondContact O-N 2.76Å; S236-A240 VanDerWaalsContact O-N 3.1Å
241	N	41.4	Very low	44.4	Very low	80 Å²	80	103.1 Å²	103.1	43%	0.428	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.5	-0.6	-175.9	-64.2	24.6	0	0	0	113.6	Y239 Q243 Y685 L687	Y239-N241 PolarHBondContact O-N 3.48Å; N241-Q243 VanDerWaalsContact C-N 3.28Å; N241-Q243 PolarHBondContact O-N 3.14Å; N241-Y685 PolarHBondContact ND2-O 2.86Å; N241-L687 HydrophobicContact CB-CD1 4.18Å; N241-L687 WeakPolarHBondContact O-CD1 3.35Å
242	V	39.7	Very low	46.7	Very low	97 Å²	97	97.8 Å²	97.8	59%	0.588	54%	0.542	S	S	*	.			trans	-78.4	84.1	167.9	-172.3	0	0	0	0	108.5	Y239 D244	Y239-V242 PolarHBondContact O-N 2.74Å; V242-D244 PolarHBondContact O-N 2.93Å
243	Q	38.3	Very low	48.4	Very low	151 Å²	151	97.1 Å²	97.1	71%	0.706	53%	0.532	S	S	*	.			trans	-70.3	112.1	153.3	-88.8	167.2	-67.8	0	0	106.8	N241 S245	N241-Q243 VanDerWaalsContact C-N 3.28Å; N241-Q243 PolarHBondContact O-N 3.14Å; Q243-S245 VanDerWaalsContact C-N 3.35Å; Q243-S245 PolarHBondContact O-N 3.02Å
244	D	35.7	Very low	50	Low	110 Å²	110	96.5 Å²	96.5	59%	0.588	55%	0.548	S	S	*	.			trans	-60	102	163.2	-84.2	-27.9	0	0	0	106.8	V242 C246	V242-D244 PolarHBondContact O-N 2.93Å; D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.35Å
245	S	36.2	Very low	51.9	Low	96 Å²	96	97 Å²	97	67%	0.671	56%	0.564	S	S	*	*			trans	-68.5	90.5	170.4	54.9	0	0	0	0	107.8	Q243 D247	Q243-S245 VanDerWaalsContact C-N 3.35Å; Q243-S245 PolarHBondContact O-N 3.02Å; S245-D247 PolarHBondContact O-N 3.44Å
246	C	41.4	Very low	53.8	Low	116 Å²	116	92.6 Å²	92.6	78%	0.784	55%	0.551	S	S	*	*			trans	-68.9	84.2	173.3	-73.2	0	0	0	0	109.4	D244	D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.35Å
247	D	54.2	Low	55.8	Low	73 Å²	73	98 Å²	98	39%	0.39	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-49.4	130.9	162.6	-43.8	-61.9	0	0	0	107.7	S245 V249 R275 W288	S245-D247 PolarHBondContact O-N 3.44Å; D247-V249 PolarHBondContact O-N 2.8Å; D247-R275 IonicContact OD2-CZ 3.25Å; D247-R275 IonicContact OD2-NH1 2.99Å; D247-R275 PolarHBondContact OD2-NH1 2.97Å; D247-R275 IonicContact OD2-NH2 2.68Å; D247-W288 HydrophobicContact CB-CZ2 4.16Å; D247-W288 PolarHBondContact O-NE1 2.85Å
248	P	64.5	Low	57.6	Low	115 Å²	115	93.9 Å²	93.9	75%	0.747	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-59.2	142.3	172.8	25.5	-33.1	0	0	0	109.3	W288	P248-W288 WeakPolarHBondContact O-CZ2 3.45Å
249	V	74	Confident	59.2	Low	30 Å²	30	92.8 Å²	92.8	18%	0.182	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-70.9	131.2	174.8	-172.5	0	0	0	0	107.6	D247 L251 F277 W288	D247-V249 PolarHBondContact O-N 2.8Å; V249-L251 PolarHBondContact O-N 3.26Å; V249-F277 HydrophobicContact CG1-CB 3.78Å; V249-F277 HydrophobicContact CG1-CD2 3.62Å; V249-F277 HydrophobicContact CG1-CE2 4.48Å; V249-F277 HydrophobicContact CG1-CG 3.98Å; V249-W288 HydrophobicContact CG2-CD2 4.46Å; V249-W288 HydrophobicContact CG2-CG 4.01Å
250	P	71.9	Confident	61.6	Low	39 Å²	39	90.4 Å²	90.4	25%	0.253	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-56.7	135.2	178.5	-25	33.7	0	0	0	111.4	F277 W288	P250-F277 HydrophobicContact CB-CE1 4.08Å; P250-F277 HydrophobicContact CB-CE2 4.42Å; P250-F277 HydrophobicContact CB-CZ 3.98Å; P250-F277 HydrophobicContact CG-CD1 4.32Å; P250-F277 HydrophobicContact CG-CE1 4.23Å; P250-F277 WeakPolarHBondContact O-CE2 3.28Å; P250-W288 VanDerWaalsContact CD-CH2 3.47Å; P250-W288 HydrophobicContact CG-CH2 3.89Å; P250-W288 HydrophobicContact CG-CZ2 4.28Å
251	L	70.2	Confident	63.6	Low	93 Å²	93	93.4 Å²	93.4	49%	0.487	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-74.9	157.4	166.7	-67.4	167	0	0	0	109.5	T15 V249 S253	T15-L251 VanDerWaalsContact CB-CD1 3.47Å; T15-L251 HydrophobicContact CG2-CD1 4.16Å; V249-L251 PolarHBondContact O-N 3.26Å; L251-S253 PolarHBondContact O-N 3.43Å
252	L	76.9	Confident	65.5	Low	54 Å²	54	91.5 Å²	91.5	28%	0.283	53%	0.534	S	S	.	.			trans	-75.4	111.1	-179.5	-63	-171	0	0	0	111.1	M256 Y269 F277 Y279	L252-M256 HydrophobicContact CD2-CE 4.43Å; L252-Y269 HydrophobicContact CD1-CE1 4.34Å; L252-Y269 HydrophobicContact CD1-CE2 3.79Å; L252-Y269 WeakPolarHBondContact CD1-OH 3.48Å; L252-Y269 HydrophobicContact CD2-CD1 3.79Å; L252-Y269 HydrophobicContact CD2-CD2 3.66Å; L252-Y269 HydrophobicContact CD2-CE1 3.77Å; L252-Y269 HydrophobicContact CD2-CE2 3.64Å; L252-Y269 HydrophobicContact CD2-CG 3.72Å; L252-Y269 HydrophobicContact CG-CE2 4.37Å; L252-F277 HydrophobicContact CD2-CE2 3.85Å; L252-F277 HydrophobicContact CD2-CZ 3.91Å; L252-Y279 HydrophobicContact CD1-CD1 3.41Å; L252-Y279 VanDerWaalsContact CD1-CD1 3.41Å; L252-Y279 HydrophobicContact CD1-CD2 4.23Å; L252-Y279 HydrophobicContact CD1-CE1 3.54Å; L252-Y279 HydrophobicContact CD1-CE2 4.35Å; L252-Y279 HydrophobicContact CD1-CG 3.76Å; L252-Y279 HydrophobicContact CG-CD1 4.25Å; L252-Y279 HydrophobicContact CG-CD2 4.24Å; L252-Y279 HydrophobicContact CG-CE1 4.5Å; L252-Y279 HydrophobicContact CG-CG 4.1Å
253	S	67.6	Low	67.1	Low	74 Å²	74	92.4 Å²	92.4	52%	0.517	55%	0.551	S	S	.	*			trans	-65.9	139.4	165.6	-51.4	0	0	0	0	110.3	L251 G255 M256	L251-S253 PolarHBondContact O-N 3.43Å; S253-G255 PolarHBondContact O-N 3.1Å; S253-M256 PolarHBondContact O-N 3.36Å; S253-M256 VanDerWaalsContact O-N 3.14Å
254	P	65.2	Low	68.7	Low	140 Å²	140	87.1 Å²	87.1	91%	0.909	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.2	172.4	-26.2	34.9	0	0	0	111.3
255	G	71.8	Confident	70.8	Confident	82 Å²	82	83.5 Å²	83.5	85%	0.845	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	1.3	-177.8	0	0	0	0	0	116.2	S253	S253-G255 PolarHBondContact O-N 3.1Å
256	M	74.7	Confident	73.1	Confident	69 Å²	69	80.9 Å²	80.9	34%	0.34	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-76.1	125	166.8	-68.8	-121.5	-74	0	0	111	L252 S253 Y269 F277	L252-M256 HydrophobicContact CD2-CE 4.43Å; S253-M256 PolarHBondContact O-N 3.36Å; S253-M256 VanDerWaalsContact O-N 3.14Å; M256-Y269 HydrophobicContact CB-CD1 4.12Å; M256-Y269 HydrophobicContact CB-CE1 4.02Å; M256-Y269 HydrophobicContact CE-CD1 4.42Å; M256-Y269 WeakPolarHBondContact O-CE1 3.39Å; M256-F277 HydrophobicContact CE-CE1 4.05Å; M256-F277 HydrophobicContact CE-CZ 3.75Å
257	E	79	Confident	75.4	Confident	175 Å²	175	77.3 Å²	77.3	82%	0.818	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-94.7	147.2	170.4	-66.3	-141.5	140.5	0	0	112.1	Y269	E257-Y269 VanDerWaalsContact C-CE1 3.46Å; E257-Y269 WeakPolarHBondContact O-CD1 3.48Å
258	P	82.7	Confident	77.1	Confident	45 Å²	45	74.5 Å²	74.5	29%	0.292	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-77.7	132.3	179.7	31.6	-35	0	0	0	112.2	R260 Q267 E268 Y269	P258-R260 VanDerWaalsContact C-N 3.28Å; P258-R260 PolarHBondContact O-N 3.01Å; P258-Q267 HydrophobicContact CB-CB 3.82Å; P258-Q267 HydrophobicContact CB-CG 4.08Å; P258-Q267 HydrophobicContact CG-CG 4.4Å; P258-E268 CarbonylContact C-O 3.6Å; P258-E268 WeakPolarHBondContact CA-O 3.47Å; P258-Y269 HydrophobicContact CB-CE1 4.04Å; P258-Y269 HydrophobicContact CB-CE2 4.02Å
259	L	81.6	Confident	78.1	Confident	113 Å²	113	69.7 Å²	69.7	59%	0.592	42%	0.415	S	S	*	.	S	Bend	trans	-62.9	-32.8	177.2	-176.4	62.1	0	0	0	112.5	E268 V270	L259-E268 PolarHBondContact N-O 2.99Å; L259-V270 HydrophobicContact CD2-CG2 3.82Å
260	R	84.6	Confident	78.6	Confident	120 Å²	120	71.2 Å²	71.2	45%	0.453	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	153.6	162.7	61.1	174.3	-174.9	-73.6	-21.8	111.8	P258 E268	P258-R260 VanDerWaalsContact C-N 3.28Å; P258-R260 PolarHBondContact O-N 3.01Å; R260-E268 HydrophobicContact CG-CB 4.17Å; R260-E268 IonicContact CZ-OE1 2.73Å; R260-E268 IonicContact CZ-OE2 2.65Å; R260-E268 IonicContact NH1-OE1 2.85Å; R260-E268 IonicContact NH1-OE2 2.7Å; R260-E268 PolarHBondContact NH1-OE2 3.47Å; R260-E268 IonicContact NH2-OE1 3.92Å; R260-E268 PolarHBondContact NH2-OE1 2.91Å; R260-E268 IonicContact NH2-OE2 3.8Å; R260-E268 PolarHBondContact NH2-OE2 3.03Å; R260-E268 PolarHBondContact O-N 3.13Å
261	T	84	Confident	79.1	Confident	89 Å²	89	69.9 Å²	69.9	55%	0.546	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.3	164.6	-49.4	0	0	0	0	110.1	Q267	T261-Q267 HydrophobicContact CG2-CG 4.17Å
262	L	80.6	Confident	79.4	Confident	41 Å²	41	73.1 Å²	73.1	22%	0.215	44%	0.44	C	S	.	.			trans	-85.6	154.2	173.5	-61.3	170.7	0	0	0	110.4	N264 G265 W266 F278	L262-N264 VanDerWaalsContact CB-OD1 3.28Å; L262-N264 WeakPolarHBondContact CB-OD1 3.14Å; L262-N264 PolarHBondContact O-N 3.43Å; L262-G265 PolarHBondContact O-N 3.04Å; L262-G265 VanDerWaalsContact O-N 3.09Å; L262-W266 WeakPolarHBondContact CA-O 3.27Å; L262-W266 HydrophobicContact CB-CB 4.47Å; L262-W266 VanDerWaalsContact CB-O 3.22Å; L262-W266 WeakPolarHBondContact CB-O 3.49Å; L262-W266 HydrophobicContact CD1-CB 4.03Å; L262-W266 WeakPolarHBondContact CG-O 3.4Å; L262-W266 PolarHBondContact N-O 3.47Å; L262-F278 HydrophobicContact CD1-CD1 3.73Å; L262-F278 HydrophobicContact CD1-CE1 3.95Å
263	A	73.4	Confident	79.3	Confident	115 Å²	115	74.8 Å²	74.8	95%	0.95	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-3	-177.8	0	0	0	0	0	115.2
264	N	73.3	Confident	79.7	Confident	40 Å²	40	73.9 Å²	73.9	21%	0.214	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	25.4	174.8	66.9	-23.7	0	0	0	112.7	L262 W266 G293 L294	L262-N264 VanDerWaalsContact CB-OD1 3.28Å; L262-N264 WeakPolarHBondContact CB-OD1 3.14Å; L262-N264 PolarHBondContact O-N 3.43Å; N264-W266 PolarHBondContact O-N 3.43Å; N264-G293 PolarHBondContact ND2-O 3.48Å; N264-L294 HydrophobicContact CB-CD2 3.89Å
265	G	78.9	Confident	80.4	Confident	35 Å²	35	72.3 Å²	72.3	36%	0.361	44%	0.44	S	S	.	.	S	Bend	trans	83.1	-18.2	176.2	0	0	0	0	0	115.3	L262 P281	L262-G265 PolarHBondContact O-N 3.04Å; L262-G265 VanDerWaalsContact O-N 3.09Å; G265-P281 WeakPolarHBondContact O-CD 3.5Å
266	W	85.7	Confident	80.9	Confident	41 Å²	41	71.3 Å²	71.3	16%	0.155	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-74.1	136.3	-179.1	-73.8	76.7	0	0	0	112.4	L262 N264 F278 Y279 H280 A285 P291	L262-W266 WeakPolarHBondContact CA-O 3.27Å; L262-W266 HydrophobicContact CB-CB 4.47Å; L262-W266 VanDerWaalsContact CB-O 3.22Å; L262-W266 WeakPolarHBondContact CB-O 3.49Å; L262-W266 HydrophobicContact CD1-CB 4.03Å; L262-W266 WeakPolarHBondContact CG-O 3.4Å; L262-W266 PolarHBondContact N-O 3.47Å; N264-W266 PolarHBondContact O-N 3.43Å; W266-F278 HydrophobicContact CE3-CB 3.82Å; W266-F278 HydrophobicContact CZ3-CB 4.27Å; W266-Y279 CarbonylContact C-O 3.57Å; W266-Y279 WeakPolarHBondContact CA-O 3.29Å; W266-Y279 VanDerWaalsContact CE3-C 3.47Å; W266-H280 AromaticContact CD1-CD2 3.32Å; W266-H280 AromaticContact CD1-CG 3.99Å; W266-H280 HydrophobicContact CD2-CB 3.63Å; W266-H280 AromaticContact CE2-CG 3.89Å; W266-H280 HydrophobicContact CE3-CB 3.89Å; W266-H280 HydrophobicContact CG-CB 4.14Å; W266-H280 AromaticContact CG-CD2 3.68Å; W266-H280 HydrophobicContact CH2-CB 4.18Å; W266-H280 HydrophobicContact CZ2-CB 3.92Å; W266-H280 HydrophobicContact CZ3-CB 4.16Å; W266-H280 AromaticContact NE1-CD2 3.49Å; W266-H280 PolarHBondContact NE1-CD2 3.28Å; W266-H280 AromaticContact NE1-CG 3.74Å; W266-A285 HydrophobicContact CH2-CB 3.68Å; W266-A285 HydrophobicContact CZ2-CB 4.17Å; W266-A285 HydrophobicContact CZ3-CB 4.46Å; W266-A285 WeakPolarHBondContact CZ3-O 3.33Å; W266-P291 HydrophobicContact CB-CG 4.01Å; W266-P291 HydrophobicContact CD2-CB 4.14Å; W266-P291 HydrophobicContact CD2-CG 3.19Å; W266-P291 VanDerWaalsContact CE2-CG 3.48Å; W266-P291 HydrophobicContact CE3-CG 3.54Å; W266-P291 HydrophobicContact CG-CB 4.28Å; W266-P291 HydrophobicContact CG-CG 3.44Å; W266-P291 VanDerWaalsContact CG-CG 3.44Å; W266-P291 HydrophobicContact CH2-CG 4.31Å; W266-P291 HydrophobicContact CZ2-CB 4.4Å; W266-P291 HydrophobicContact CZ2-CG 4.04Å; W266-P291 HydrophobicContact CZ3-CG 4.09Å
267	Q	88.9	Confident	81.5	Confident	40 Å²	40	68 Å²	68	19%	0.187	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.5	177.4	-72.2	170.6	-16.8	0	0	110.2	P258 T261 Y269 F278 Y279 P281	P258-Q267 HydrophobicContact CB-CB 3.82Å; P258-Q267 HydrophobicContact CB-CG 4.08Å; P258-Q267 HydrophobicContact CG-CG 4.4Å; T261-Q267 HydrophobicContact CG2-CG 4.17Å; Q267-Y269 HydrophobicContact CB-CD2 4.18Å; Q267-Y269 HydrophobicContact CB-CE2 3.6Å; Q267-Y269 PolarHBondContact OE1-OH 2.99Å; Q267-F278 CarbonylContact O-C 3.54Å; Q267-F278 VanDerWaalsContact O-CA 3.28Å; Q267-F278 WeakPolarHBondContact O-CA 3.29Å; Q267-Y279 PolarHBondContact N-O 2.98Å; Q267-Y279 PolarHBondContact O-N 2.95Å; Q267-P281 VanDerWaalsContact CD-CG 3.47Å; Q267-P281 HydrophobicContact CG-CG 4.18Å; Q267-P281 VanDerWaalsContact OE1-CG 3.31Å
268	E	88.7	Confident	82	Confident	15 Å²	15	59.9 Å²	59.9	7%	0.07	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.6	170.6	-171.6	179.4	-107.7	0	0	110	P258 L259 R260 P276 F277 F278	P258-E268 CarbonylContact C-O 3.6Å; P258-E268 WeakPolarHBondContact CA-O 3.47Å; L259-E268 PolarHBondContact N-O 2.99Å; R260-E268 HydrophobicContact CG-CB 4.17Å; R260-E268 IonicContact CZ-OE1 2.73Å; R260-E268 IonicContact CZ-OE2 2.65Å; R260-E268 IonicContact NH1-OE1 2.85Å; R260-E268 IonicContact NH1-OE2 2.7Å; R260-E268 PolarHBondContact NH1-OE2 3.47Å; R260-E268 IonicContact NH2-OE1 3.92Å; R260-E268 PolarHBondContact NH2-OE1 2.91Å; R260-E268 IonicContact NH2-OE2 3.8Å; R260-E268 PolarHBondContact NH2-OE2 3.03Å; R260-E268 PolarHBondContact O-N 3.13Å; E268-P276 HydrophobicContact CG-CB 4.24Å; E268-F277 CarbonylContact C-O 3.57Å; E268-F277 WeakPolarHBondContact CA-O 3.44Å; E268-F278 HydrophobicContact CB-CD1 3.91Å; E268-F278 HydrophobicContact CB-CE1 3.68Å; E268-F278 HydrophobicContact CG-CD1 4.12Å; E268-F278 HydrophobicContact CG-CE1 3.58Å; E268-F278 HydrophobicContact CG-CZ 3.94Å; E268-F278 VanDerWaalsContact OE1-CE1 3.3Å; E268-F278 WeakPolarHBondContact OE1-CE1 3.42Å; E268-F278 WeakPolarHBondContact OE1-CZ 3.25Å
269	Y	87.6	Confident	82.2	Confident	14 Å²	14	60.4 Å²	60.4	6%	0.055	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	164.7	176	-74.2	-89.5	0	0	0	109.7	L252 M256 E257 P258 Q267 P276 F277 Y279	L252-Y269 HydrophobicContact CD1-CE1 4.34Å; L252-Y269 HydrophobicContact CD1-CE2 3.79Å; L252-Y269 WeakPolarHBondContact CD1-OH 3.48Å; L252-Y269 HydrophobicContact CD2-CD1 3.79Å; L252-Y269 HydrophobicContact CD2-CD2 3.66Å; L252-Y269 HydrophobicContact CD2-CE1 3.77Å; L252-Y269 HydrophobicContact CD2-CE2 3.64Å; L252-Y269 HydrophobicContact CD2-CG 3.72Å; L252-Y269 HydrophobicContact CG-CE2 4.37Å; M256-Y269 HydrophobicContact CB-CD1 4.12Å; M256-Y269 HydrophobicContact CB-CE1 4.02Å; M256-Y269 HydrophobicContact CE-CD1 4.42Å; M256-Y269 WeakPolarHBondContact O-CE1 3.39Å; E257-Y269 VanDerWaalsContact C-CE1 3.46Å; E257-Y269 WeakPolarHBondContact O-CD1 3.48Å; P258-Y269 HydrophobicContact CB-CE1 4.04Å; P258-Y269 HydrophobicContact CB-CE2 4.02Å; Q267-Y269 HydrophobicContact CB-CD2 4.18Å; Q267-Y269 HydrophobicContact CB-CE2 3.6Å; Q267-Y269 PolarHBondContact OE1-OH 2.99Å; Y269-P276 CarbonylContact O-C 3.51Å; Y269-P276 VanDerWaalsContact O-CA 3.27Å; Y269-P276 WeakPolarHBondContact O-CA 3.44Å; Y269-F277 VanDerWaalsContact CB-CE1 3.45Å; Y269-F277 HydrophobicContact CD2-CE2 4.5Å; Y269-F277 HydrophobicContact CG-CE2 4.35Å; Y269-F277 HydrophobicContact CG-CZ 4.12Å; Y269-F277 PolarHBondContact N-O 3.36Å; Y269-F277 PolarHBondContact O-N 2.87Å; Y269-Y279 HydrophobicContact CE2-CD1 4.31Å
270	V	83.7	Confident	82.3	Confident	62 Å²	62	56.8 Å²	56.8	38%	0.376	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	176.1	-175.2	0	0	0	0	108.9	L259	L259-V270 HydrophobicContact CD2-CG2 3.82Å
271	S	81.3	Confident	82.1	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.07	34%	0.339	C	S	.	.			trans	-72	164.6	176.8	75.1	0	0	0	0	111.8	A273 G274 R275	S271-A273 PolarHBondContact O-N 3.05Å; S271-A273 PolarHBondContact OG-N 3.43Å; S271-G274 PolarHBondContact O-N 3.42Å; S271-R275 WeakPolarHBondContact CB-O 3.46Å; S271-R275 PolarHBondContact N-O 3.11Å; S271-R275 PolarHBondContact OG-N 3.22Å; S271-R275 PolarHBondContact OG-O 3Å
272	T	77.4	Confident	81.8	Confident	161 Å²	161	54.3 Å²	54.3	99%	0.988	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.6	170.9	49.6	0	0	0	0	113.7
273	A	74.4	Confident	81.7	Confident	89 Å²	89	56 Å²	56	74%	0.736	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8.8	173.8	0	0	0	0	0	114	S271 R275	S271-A273 PolarHBondContact O-N 3.05Å; S271-A273 PolarHBondContact OG-N 3.43Å; A273-R275 VanDerWaalsContact C-N 3.27Å; A273-R275 PolarHBondContact O-N 2.95Å
274	G	75.8	Confident	82.1	Confident	55 Å²	55	52.5 Å²	52.5	57%	0.567	34%	0.339	S	S	*	.	S	Bend	trans	75.5	8	-179.8	0	0	0	0	0	115.1	S271	S271-G274 PolarHBondContact O-N 3.42Å
275	R	80.4	Confident	82.4	Confident	108 Å²	108	52.4 Å²	52.4	41%	0.408	34%	0.344	S	S	.	.			trans	-93	127.1	-177.6	-176.4	178.7	173.4	-175.5	-2.9	109.9	D247 S271 A273 W288	D247-R275 IonicContact OD2-CZ 3.25Å; D247-R275 IonicContact OD2-NH1 2.99Å; D247-R275 PolarHBondContact OD2-NH1 2.97Å; D247-R275 IonicContact OD2-NH2 2.68Å; S271-R275 WeakPolarHBondContact CB-O 3.46Å; S271-R275 PolarHBondContact N-O 3.11Å; S271-R275 PolarHBondContact OG-N 3.22Å; S271-R275 PolarHBondContact OG-O 3Å; A273-R275 VanDerWaalsContact C-N 3.27Å; A273-R275 PolarHBondContact O-N 2.95Å; R275-W288 HydrophobicContact CB-CH2 4.42Å; R275-W288 HydrophobicContact CB-CZ3 3.85Å; R275-W288 VanDerWaalsContact CD-CZ3 3.48Å; R275-W288 HydrophobicContact CG-CE3 3.81Å; R275-W288 HydrophobicContact CG-CH2 4.32Å; R275-W288 HydrophobicContact CG-CZ3 3.52Å
276	P	82.5	Confident	82.6	Confident	60 Å²	60	52.8 Å²	52.8	39%	0.39	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142.7	178.8	28.5	-34.4	0	0	0	111.5	E268 Y269	E268-P276 HydrophobicContact CG-CB 4.24Å; Y269-P276 CarbonylContact O-C 3.51Å; Y269-P276 VanDerWaalsContact O-CA 3.27Å; Y269-P276 WeakPolarHBondContact O-CA 3.44Å
277	F	87.7	Confident	82.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.6	171.4	70.8	-82.9	0	0	0	110.4	V249 P250 L252 M256 E268 Y269 W288	V249-F277 HydrophobicContact CG1-CB 3.78Å; V249-F277 HydrophobicContact CG1-CD2 3.62Å; V249-F277 HydrophobicContact CG1-CE2 4.48Å; V249-F277 HydrophobicContact CG1-CG 3.98Å; P250-F277 HydrophobicContact CB-CE1 4.08Å; P250-F277 HydrophobicContact CB-CE2 4.42Å; P250-F277 HydrophobicContact CB-CZ 3.98Å; P250-F277 HydrophobicContact CG-CD1 4.32Å; P250-F277 HydrophobicContact CG-CE1 4.23Å; P250-F277 WeakPolarHBondContact O-CE2 3.28Å; L252-F277 HydrophobicContact CD2-CE2 3.85Å; L252-F277 HydrophobicContact CD2-CZ 3.91Å; M256-F277 HydrophobicContact CE-CE1 4.05Å; M256-F277 HydrophobicContact CE-CZ 3.75Å; E268-F277 CarbonylContact C-O 3.57Å; E268-F277 WeakPolarHBondContact CA-O 3.44Å; Y269-F277 VanDerWaalsContact CB-CE1 3.45Å; Y269-F277 HydrophobicContact CD2-CE2 4.5Å; Y269-F277 HydrophobicContact CG-CE2 4.35Å; Y269-F277 HydrophobicContact CG-CZ 4.12Å; Y269-F277 PolarHBondContact N-O 3.36Å; Y269-F277 PolarHBondContact O-N 2.87Å; F277-W288 HydrophobicContact CB-CE3 3.75Å; F277-W288 HydrophobicContact CB-CZ3 3.94Å
278	F	89.1	Confident	82.1	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.022	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.2	-174.8	-57.6	-88	0	0	0	109.6	L262 W266 Q267 E268 S286 S287 P290 P291	L262-F278 HydrophobicContact CD1-CD1 3.73Å; L262-F278 HydrophobicContact CD1-CE1 3.95Å; W266-F278 HydrophobicContact CE3-CB 3.82Å; W266-F278 HydrophobicContact CZ3-CB 4.27Å; Q267-F278 CarbonylContact O-C 3.54Å; Q267-F278 VanDerWaalsContact O-CA 3.28Å; Q267-F278 WeakPolarHBondContact O-CA 3.29Å; E268-F278 HydrophobicContact CB-CD1 3.91Å; E268-F278 HydrophobicContact CB-CE1 3.68Å; E268-F278 HydrophobicContact CG-CD1 4.12Å; E268-F278 HydrophobicContact CG-CE1 3.58Å; E268-F278 HydrophobicContact CG-CZ 3.94Å; E268-F278 VanDerWaalsContact OE1-CE1 3.3Å; E268-F278 WeakPolarHBondContact OE1-CE1 3.42Å; E268-F278 WeakPolarHBondContact OE1-CZ 3.25Å; F278-S286 CarbonylContact O-C 3.6Å; F278-S286 VanDerWaalsContact O-CA 3.24Å; F278-S286 WeakPolarHBondContact O-CA 3.44Å; F278-S287 WeakPolarHBondContact CD2-O 3.48Å; F278-S287 PolarHBondContact N-O 2.97Å; F278-S287 PolarHBondContact O-N 3.38Å; F278-P290 HydrophobicContact CD2-CB 4.46Å; F278-P290 HydrophobicContact CD2-CG 4.42Å; F278-P290 HydrophobicContact CE1-CB 4.3Å; F278-P290 HydrophobicContact CE1-CG 4.47Å; F278-P290 HydrophobicContact CE2-CB 3.97Å; F278-P290 HydrophobicContact CE2-CG 3.56Å; F278-P290 HydrophobicContact CZ-CB 3.88Å; F278-P290 HydrophobicContact CZ-CG 3.6Å; F278-P291 HydrophobicContact CB-CG 4.49Å
279	Y	85.9	Confident	81.6	Confident	55 Å²	55	58.4 Å²	58.4	22%	0.216	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.2	178.6	173.7	-100.5	0	0	0	110.4	L252 W266 Q267 Y269 P281 G284 A285	L252-Y279 HydrophobicContact CD1-CD1 3.41Å; L252-Y279 VanDerWaalsContact CD1-CD1 3.41Å; L252-Y279 HydrophobicContact CD1-CD2 4.23Å; L252-Y279 HydrophobicContact CD1-CE1 3.54Å; L252-Y279 HydrophobicContact CD1-CE2 4.35Å; L252-Y279 HydrophobicContact CD1-CG 3.76Å; L252-Y279 HydrophobicContact CG-CD1 4.25Å; L252-Y279 HydrophobicContact CG-CD2 4.24Å; L252-Y279 HydrophobicContact CG-CE1 4.5Å; L252-Y279 HydrophobicContact CG-CG 4.1Å; W266-Y279 CarbonylContact C-O 3.57Å; W266-Y279 WeakPolarHBondContact CA-O 3.29Å; W266-Y279 VanDerWaalsContact CE3-C 3.47Å; Q267-Y279 PolarHBondContact N-O 2.98Å; Q267-Y279 PolarHBondContact O-N 2.95Å; Y269-Y279 HydrophobicContact CE2-CD1 4.31Å; Y279-P281 HydrophobicContact CD1-CG 4.23Å; Y279-P281 HydrophobicContact CE1-CB 4.31Å; Y279-P281 HydrophobicContact CE1-CG 4.16Å; Y279-G284 VanDerWaalsContact CE2-O 3.31Å; Y279-G284 WeakPolarHBondContact CE2-O 3.31Å; Y279-A285 CarbonylContact C-O 3.42Å; Y279-A285 WeakPolarHBondContact CA-O 3.48Å
280	H	85.3	Confident	81	Confident	37 Å²	37	61 Å²	61	17%	0.171	39%	0.388	C	S	.	.			trans	-112.3	107.5	177.4	-165.1	-120.4	0	0	0	111.6	W266 A282 S283 G284 A285	W266-H280 AromaticContact CD1-CD2 3.32Å; W266-H280 AromaticContact CD1-CG 3.99Å; W266-H280 HydrophobicContact CD2-CB 3.63Å; W266-H280 AromaticContact CE2-CG 3.89Å; W266-H280 HydrophobicContact CE3-CB 3.89Å; W266-H280 HydrophobicContact CG-CB 4.14Å; W266-H280 AromaticContact CG-CD2 3.68Å; W266-H280 HydrophobicContact CH2-CB 4.18Å; W266-H280 HydrophobicContact CZ2-CB 3.92Å; W266-H280 HydrophobicContact CZ3-CB 4.16Å; W266-H280 AromaticContact NE1-CD2 3.49Å; W266-H280 PolarHBondContact NE1-CD2 3.28Å; W266-H280 AromaticContact NE1-CG 3.74Å; H280-A282 VanDerWaalsContact C-N 3.26Å; H280-A282 PolarHBondContact O-N 2.82Å; H280-S283 PolarHBondContact ND1-N 2.91Å; H280-S283 PolarHBondContact ND1-OG 3.07Å; H280-S283 PolarHBondContact O-N 3.35Å; H280-S283 VanDerWaalsContact O-N 3.17Å; H280-G284 PolarHBondContact O-N 2.72Å; H280-A285 PolarHBondContact N-O 3.2Å
281	P	80.6	Confident	80.2	Confident	65 Å²	65	59.7 Å²	59.7	42%	0.422	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35	-176.1	-28.3	36.6	0	0	0	114.9	G265 Q267 Y279	G265-P281 WeakPolarHBondContact O-CD 3.5Å; Q267-P281 VanDerWaalsContact CD-CG 3.47Å; Q267-P281 HydrophobicContact CG-CG 4.18Å; Q267-P281 VanDerWaalsContact OE1-CG 3.31Å; Y279-P281 HydrophobicContact CD1-CG 4.23Å; Y279-P281 HydrophobicContact CE1-CB 4.31Å; Y279-P281 HydrophobicContact CE1-CG 4.16Å
282	A	76.3	Confident	79.1	Confident	92 Å²	92	69.3 Å²	69.3	76%	0.76	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.4	-176.3	0	0	0	0	0	114.6	H280	H280-A282 VanDerWaalsContact C-N 3.26Å; H280-A282 PolarHBondContact O-N 2.82Å
283	S	79.3	Confident	77.8	Confident	78 Å²	78	63.9 Å²	63.9	55%	0.545	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	8.3	177.7	70.4	0	0	0	0	115	H280 A285	H280-S283 PolarHBondContact ND1-N 2.91Å; H280-S283 PolarHBondContact ND1-OG 3.07Å; H280-S283 PolarHBondContact O-N 3.35Å; H280-S283 VanDerWaalsContact O-N 3.17Å; S283-A285 PolarHBondContact O-N 2.87Å
284	G	80.8	Confident	76.1	Confident	40 Å²	40	66.6 Å²	66.6	41%	0.412	39%	0.393	S	S	.	.			trans	64.5	-9	-178.9	0	0	0	0	0	115.8	Y279 H280	Y279-G284 VanDerWaalsContact CE2-O 3.31Å; Y279-G284 WeakPolarHBondContact CE2-O 3.31Å; H280-G284 PolarHBondContact O-N 2.72Å
285	A	80.4	Confident	74.2	Confident	38 Å²	38	72 Å²	72	31%	0.314	40%	0.402	S	S	.	.			trans	-66.4	134.5	-170.3	0	0	0	0	0	112	W266 Y279 H280 S283	W266-A285 HydrophobicContact CH2-CB 3.68Å; W266-A285 HydrophobicContact CZ2-CB 4.17Å; W266-A285 HydrophobicContact CZ3-CB 4.46Å; W266-A285 WeakPolarHBondContact CZ3-O 3.33Å; Y279-A285 CarbonylContact C-O 3.42Å; Y279-A285 WeakPolarHBondContact CA-O 3.48Å; H280-A285 PolarHBondContact N-O 3.2Å; S283-A285 PolarHBondContact O-N 2.87Å
286	S	83.8	Confident	71.9	Confident	44 Å²	44	72.2 Å²	72.2	31%	0.308	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.8	177.2	67.8	0	0	0	0	111.8	F278	F278-S286 CarbonylContact O-C 3.6Å; F278-S286 VanDerWaalsContact O-CA 3.24Å; F278-S286 WeakPolarHBondContact O-CA 3.44Å
287	S	80.7	Confident	69.5	Low	32 Å²	32	74.1 Å²	74.1	22%	0.224	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	133.6	-174.3	174.4	0	0	0	0	112.8	F278 K289	F278-S287 WeakPolarHBondContact CD2-O 3.48Å; F278-S287 PolarHBondContact N-O 2.97Å; F278-S287 PolarHBondContact O-N 3.38Å; S287-K289 PolarHBondContact O-N 2.86Å; S287-K289 PolarHBondContact OG-N 2.9Å; S287-K289 PolarHBondContact OG-O 2.88Å
288	W	83.4	Confident	66.8	Low	51 Å²	51	82.1 Å²	82.1	19%	0.193	46%	0.464	C	S	.	.	S	Bend	trans	-68.8	-15.3	166.3	-71.6	120	0	0	0	113.9	D247 P248 V249 P250 R275 F277	D247-W288 HydrophobicContact CB-CZ2 4.16Å; D247-W288 PolarHBondContact O-NE1 2.85Å; P248-W288 WeakPolarHBondContact O-CZ2 3.45Å; V249-W288 HydrophobicContact CG2-CD2 4.46Å; V249-W288 HydrophobicContact CG2-CG 4.01Å; P250-W288 VanDerWaalsContact CD-CH2 3.47Å; P250-W288 HydrophobicContact CG-CH2 3.89Å; P250-W288 HydrophobicContact CG-CZ2 4.28Å; R275-W288 HydrophobicContact CB-CH2 4.42Å; R275-W288 HydrophobicContact CB-CZ3 3.85Å; R275-W288 VanDerWaalsContact CD-CZ3 3.48Å; R275-W288 HydrophobicContact CG-CE3 3.81Å; R275-W288 HydrophobicContact CG-CH2 4.32Å; R275-W288 HydrophobicContact CG-CZ3 3.52Å; F277-W288 HydrophobicContact CB-CE3 3.75Å; F277-W288 HydrophobicContact CB-CZ3 3.94Å
289	K	78.1	Confident	64	Low	131 Å²	131	88.9 Å²	88.9	57%	0.57	50%	0.5	S	S	*	.	S	Bend	trans	-107.3	131.4	-175.1	-70.9	162.1	-177.3	161.7	0	108.6	S287	S287-K289 PolarHBondContact O-N 2.86Å; S287-K289 PolarHBondContact OG-N 2.9Å; S287-K289 PolarHBondContact OG-O 2.88Å
290	P	73.3	Confident	61.4	Low	69 Å²	69	94.4 Å²	94.4	45%	0.448	53%	0.528	S	S	.	.			trans	-54.1	128.6	173	-19.5	26.5	0	0	0	109.5	F278 R292	F278-P290 HydrophobicContact CD2-CB 4.46Å; F278-P290 HydrophobicContact CD2-CG 4.42Å; F278-P290 HydrophobicContact CE1-CB 4.3Å; F278-P290 HydrophobicContact CE1-CG 4.47Å; F278-P290 HydrophobicContact CE2-CB 3.97Å; F278-P290 HydrophobicContact CE2-CG 3.56Å; F278-P290 HydrophobicContact CZ-CB 3.88Å; F278-P290 HydrophobicContact CZ-CG 3.6Å; P290-R292 PolarHBondContact O-N 2.75Å
291	P	68.3	Low	58.7	Low	33 Å²	33	98.9 Å²	98.9	21%	0.214	56%	0.56	C	S	.	*			trans	-59.8	130.4	179.9	-17.7	25.5	0	0	0	110.6	W266 F278	W266-P291 HydrophobicContact CB-CG 4.01Å; W266-P291 HydrophobicContact CD2-CB 4.14Å; W266-P291 HydrophobicContact CD2-CG 3.19Å; W266-P291 VanDerWaalsContact CE2-CG 3.48Å; W266-P291 HydrophobicContact CE3-CG 3.54Å; W266-P291 HydrophobicContact CG-CB 4.28Å; W266-P291 HydrophobicContact CG-CG 3.44Å; W266-P291 VanDerWaalsContact CG-CG 3.44Å; W266-P291 HydrophobicContact CH2-CG 4.31Å; W266-P291 HydrophobicContact CZ2-CB 4.4Å; W266-P291 HydrophobicContact CZ2-CG 4.04Å; W266-P291 HydrophobicContact CZ3-CG 4.09Å; F278-P291 HydrophobicContact CB-CG 4.49Å
292	R	58	Low	56	Low	212 Å²	212	101.9 Å²	101.9	80%	0.8	58%	0.577	S	S	*	*			trans	-114.1	74.5	-177.1	-69.4	-172.6	-58.8	-76.5	0.5	110.9	P290	P290-R292 PolarHBondContact O-N 2.75Å
293	G	50.7	Low	53.8	Low	48 Å²	48	106.8 Å²	106.8	50%	0.495	58%	0.584	S	S	.	*			trans	165	150.8	174.6	0	0	0	0	0	111.8	N264	N264-G293 PolarHBondContact ND2-O 3.48Å
294	L	38.3	Very low	51.3	Low	146 Å²	146	111.3 Å²	111.3	76%	0.764	60%	0.596	S	S	*	*			trans	-89.3	114.3	151.4	-73.1	163.2	0	0	0	105.5	N264	N264-L294 HydrophobicContact CB-CD2 3.89Å
295	H	35.6	Very low	48.7	Very low	167 Å²	167	115.1 Å²	115.1	77%	0.773	62%	0.615	S	S	*	*			trans	-133	93.5	163.7	-148.6	-68.8	0	0	0	106.1
296	V	31.2	Very low	46.2	Very low	114 Å²	114	116.5 Å²	116.5	69%	0.691	63%	0.633	S	S	*	*			trans	-80.6	114	167	-176.7	0	0	0	0	105.2	E298	V296-E298 HydrophobicContact CG1-CG 3.87Å
297	T	33.2	Very low	43.7	Very low	99 Å²	99	122.5 Å²	122.5	61%	0.607	66%	0.661	S	S	*	*			trans	-93.1	109.6	160.7	44.2	0	0	0	0	106.3
298	E	29.9	Very low	41.1	Very low	168 Å²	168	124.6 Å²	124.6	79%	0.785	68%	0.68	S	S	*	*			trans	-80.8	116.3	167.9	-63.6	-178.5	138.3	0	0	107	V296	V296-E298 HydrophobicContact CG1-CG 3.87Å
299	D	30.4	Very low	38.4	Very low	147 Å²	147	130.7 Å²	130.7	79%	0.786	71%	0.71	S	S	*	*			trans	-74	127.6	178.6	-68.1	-56.3	0	0	0	110.2
300	H	31	Very low	36.1	Very low	172 Å²	172	129.1 Å²	129.1	80%	0.796	72%	0.716	S	S	*	*			trans	-122.1	136.7	165.9	-80.4	-1.7	0	0	0	109.4
301	P	28.6	Very low	33.8	Very low	131 Å²	131	135.5 Å²	135.5	85%	0.851	73%	0.733	S	S	*	*			trans	-78.4	164	-161.9	31	-36.8	0	0	0	114.6
302	V	25.1	Very low	32.1	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	76%	0.757	S	S	*	*			trans	-63.2	139.5	-179.8	175.7	0	0	0	0	112.7
303	E	29.1	Very low	30.7	Very low	195 Å²	195	140.5 Å²	140.5	91%	0.911	76%	0.759	S	S	*	*			trans	-131.3	162.7	145.3	-124.4	176.8	-167.5	0	0	110.8
304	Q	27.7	Very low	29.7	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	77%	0.769	S	S	*	*			trans	-100.6	-179.4	-169.6	-54.7	170	-12	0	0	109.7
305	C	25.3	Very low	29.3	Very low	120 Å²	120	142 Å²	142	81%	0.811	77%	0.773	S	S	*	*			cis	-163.3	149.3	11.5	-159	0	0	0	0	111.3
306	G	29	Very low	29.2	Very low	66 Å²	66	139.5 Å²	139.5	68%	0.68	77%	0.772	S	S	*	*			trans	63.5	176.7	158.1	0	0	0	0	0	119
307	L	30.1	Very low	29.3	Very low	171 Å²	171	143.2 Å²	143.2	90%	0.895	78%	0.781	S	S	*	*			cis	-161.5	143.5	-35.3	-153.1	109.9	0	0	0	108.5
308	A	27.7	Very low	29.3	Very low	75 Å²	75	144.7 Å²	144.7	62%	0.62	79%	0.786	S	S	*	*			trans	50.7	123	158.8	0	0	0	0	0	123
309	E	27	Very low	29.4	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	79%	0.788	S	S	*	*				66	92.9	124.8	-59.9	-175.6	163.2	0	0	123.2
310	S	28.2	Very low	29.5	Very low	99 Å²	99	141 Å²	141	69%	0.692	79%	0.785	S	S	*	*				103.5	146.3	107.3	84.9	0	0	0	0	122.1
311	Y	26.1	Very low	29.4	Very low	202 Å²	202	140 Å²	140	79%	0.792	79%	0.785	S	S	*	*			trans	58.6	126.9	158.8	-69.6	-70.3	0	0	0	123.9
312	H	32.3	Very low	29.4	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	78%	0.782	S	S	*	*			trans	79.7	119.1	152.5	-70.6	-55.7	0	0	0	122.2
313	K	27.5	Very low	29.5	Very low	195 Å²	195	140.1 Å²	140.1	85%	0.848	78%	0.778	S	S	*	*			trans	34.5	128.8	131.7	-68.3	-177.8	177	-178.7	0	117.9
314	A	30.3	Very low	29.6	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	77%	0.771	S	S	*	*			cis	-170.7	159.5	29	0	0	0	0	0	113.7
315	V	31.1	Very low	29.6	Very low	138 Å²	138	133.7 Å²	133.7	84%	0.836	77%	0.768	S	S	*	*			trans	48.1	129.2	149.3	-178.1	0	0	0	0	120.2
316	P	32.9	Very low	29.6	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	77%	0.773	S	S	*	*			trans	-111.1	165.1	-176.4	41.9	-34.4	0	0	0	115.6
317	E	32.2	Very low	29.6	Very low	191 Å²	191	134.6 Å²	134.6	89%	0.893	78%	0.777	S	S	*	*			trans	-143.9	151.3	159.1	-70.3	-164.1	143.4	0	0	113.9
318	D	33.2	Very low	29.6	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	77%	0.774	S	S	*	*			trans	65.7	111.6	153.7	-89.6	7.2	0	0	0	128.6
319	M	33.1	Very low	29.7	Very low	167 Å²	167	135 Å²	135	82%	0.823	78%	0.779	S	S	*	*				61.8	112.9	122.4	-73	-159	-84.6	0	0	126
320	G	31.4	Very low	29.9	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	77%	0.774	S	S	*	*				92.2	164.7	127.3	0	0	0	0	0	119.7
321	L	30.3	Very low	29.7	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	78%	0.776	S	S	*	*			cis	-166.4	137.8	-16.3	-104	177.4	0	0	0	110.3
322	M	28.8	Very low	29.9	Very low	160 Å²	160	130.9 Å²	130.9	79%	0.788	77%	0.771	S	S	*	*			trans	62	124.2	159.3	-56.3	-62.3	124.3	0	0	119.7
323	S	26.4	Very low	29.6	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	78%	0.775	S	S	*	*				85.2	156.2	76.9	-145.6	0	0	0	0	113.9
324	V	30.4	Very low	30	Very low	126 Å²	126	125.8 Å²	125.8	76%	0.764	77%	0.769	S	S	*	*			cis	-159.8	155	26.8	-136.5	0	0	0	0	114.1
325	S	27.3	Very low	30	Very low	107 Å²	107	128 Å²	128	75%	0.748	77%	0.773	S	S	*	*			trans	56.1	118.4	140.4	-66.4	0	0	0	0	128
326	S	26.9	Very low	29.9	Very low	130 Å²	130	128 Å²	128	91%	0.909	77%	0.773	S	S	*	*				83.2	132.7	114.8	-166	0	0	0	0	125.1
327	G	29.1	Very low	29.7	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	78%	0.78	S	S	*	*			trans	172.2	145.6	159.5	0	0	0	0	0	114.7
328	A	29.8	Very low	29.6	Very low	100 Å²	100	133 Å²	133	83%	0.826	78%	0.781	S	S	*	*			trans	-170.1	154.2	179.7	0	0	0	0	0	114.1
329	E	28.9	Very low	29.5	Very low	154 Å²	154	132 Å²	132	72%	0.72	79%	0.785	S	S	*	*			trans	-175.8	156.9	165.2	-114.6	168.5	170.4	0	0	119.2
330	Y	30.9	Very low	29.3	Very low	189 Å²	189	127.4 Å²	127.4	74%	0.741	78%	0.78	S	S	*	*			trans	61.1	167.9	157.3	-60.7	-50.7	0	0	0	123.9
331	C	24.8	Very low	29.3	Very low	108 Å²	108	130.1 Å²	130.1	73%	0.73	78%	0.778	S	S	*	*				-179.3	172.4	-50	-101.8	0	0	0	0	110.9
332	S	30.1	Very low	29.3	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	78%	0.78	S	S	*	*			cis	-172.2	121.3	-9.1	-107.6	0	0	0	0	117.9
333	V	26.6	Very low	29.3	Very low	135 Å²	135	134.1 Å²	134.1	82%	0.818	78%	0.783	S	S	*	*			trans	70.7	0	139.9	-119.9	0	0	0	0	124.4
334	P	35.5	Very low	29.4	Very low	109 Å²	109	133.1 Å²	133.1	71%	0.708	79%	0.788	S	S	*	*				0	-160.1	0	51.6	-29.8	0	0	0	121.9
335	V	29.7	Very low	29.3	Very low	133 Å²	133	130.6 Å²	130.6	81%	0.806	79%	0.788	S	S	*	*			trans	94.6	139.7	143.3	153.2	0	0	0	0	124.1
336	V	29.4	Very low	29.4	Very low	137 Å²	137	131.3 Å²	131.3	83%	0.83	79%	0.792	S	S	*	*			trans	-175	167.3	136.9	143.6	0	0	0	0	112.3
337	R	28.9	Very low	29.7	Very low	237 Å²	237	132.6 Å²	132.6	89%	0.894	78%	0.782	S	S	*	*			trans	-149.9	167.2	-173.5	-92.8	-162.6	-173.5	122.5	-1.9	115.5
338	L	30.6	Very low	29.7	Very low	175 Å²	175	134.9 Å²	134.9	92%	0.916	78%	0.776	S	S	*	*			trans	-149.9	-168.5	153.3	-117.5	171.8	0	0	0	113.1
339	S	29.7	Very low	29.6	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	77%	0.767	S	S	*	*			trans	-162.7	165.4	-174	-171.3	0	0	0	0	114.5
340	G	30.3	Very low	29.6	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	77%	0.773	S	S	*	*			trans	-179.5	63	179.6	0	0	0	0	0	122.9
341	N	30.5	Very low	29.4	Very low	128 Å²	128	129.9 Å²	129.9	68%	0.684	77%	0.771	S	S	*	*			trans	47.6	137.6	137.4	-82.5	26	0	0	0	128.7
342	R	30.6	Very low	29.5	Very low	223 Å²	223	129.3 Å²	129.3	84%	0.842	77%	0.765	S	S	*	*			trans	76.9	154.9	144.7	-70.5	-170.9	-129.2	-108	6.9	120.9
343	M	28.9	Very low	29.5	Very low	172 Å²	172	133.3 Å²	133.3	85%	0.847	77%	0.77	S	S	*	*			cis	-170.1	140.9	-20.8	-107.2	-80.6	-75.8	0	0	112.9
344	G	28.8	Very low	29.5	Very low	78 Å²	78	133 Å²	133	80%	0.804	76%	0.764	S	S	*	*			trans	72.7	157.1	156.8	0	0	0	0	0	119.7
345	G	28.3	Very low	29.2	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	77%	0.766	S	S	*	*			cis	164.5	138.4	-14.9	0	0	0	0	0	115.6
346	S	30.2	Very low	29.2	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	77%	0.772	S	S	*	*			trans	67	158.5	163.9	-74.7	0	0	0	0	120.8
347	K	31.5	Very low	29.1	Very low	157 Å²	157	140.7 Å²	140.7	68%	0.683	77%	0.765	S	S	*	*			cis	-176.3	162.8	-37.4	-131.6	172	150.9	-83	0	112
348	D	29.5	Very low	29	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	76%	0.759	S	S	*	*			trans	65.4	155.3	151.8	-60	-26.8	0	0	0	119.9
349	A	29.1	Very low	28.8	Very low	76 Å²	76	133.4 Å²	133.4	63%	0.628	75%	0.748	S	S	*	*			cis	-171.9	173.5	-25.5	0	0	0	0	0	112.1
350	L	27	Very low	28.8	Very low	161 Å²	161	136.3 Å²	136.3	84%	0.843	75%	0.749	S	S	*	*			trans	68.6	160	165.5	-92.1	67	0	0	0	116.9
351	S	26.8	Very low	28.5	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	76%	0.756	S	S	*	*			cis	-170.7	166.5	-0.8	37.4	0	0	0	0	109.3
352	T	27.2	Very low	28.4	Very low	96 Å²	96	138.3 Å²	138.3	59%	0.589	76%	0.756	S	S	*	*			cis	-174.1	174.7	-20.8	-74	0	0	0	0	107.2
353	F	30.2	Very low	28.2	Very low	180 Å²	180	134.7 Å²	134.7	79%	0.789	74%	0.742	S	S	*	*			trans	82.3	126.1	173.5	-51.5	-75.7	0	0	0	116
354	N	27.4	Very low	28.1	Very low	130 Å²	130	132.9 Å²	132.9	70%	0.695	74%	0.74	S	S	*	*			cis	82.6	139.7	45.3	-73.4	59.2	0	0	0	113.1
355	E	28.9	Very low	28	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.743	73%	0.734	S	S	*	*			cis	-173	144	-9.6	165.1	169.4	-167.1	0	0	109.4
356	E	30.6	Very low	28	Very low	200 Å²	200	137.1 Å²	137.1	94%	0.935	74%	0.739	S	S	*	*			trans	179.4	174	138	-103.6	-170.3	168.2	0	0	112.3
357	R	25.4	Very low	28	Very low	181 Å²	181	141.3 Å²	141.3	68%	0.683	74%	0.737	S	S	*	*			trans	-143.3	131.7	-148.7	175.1	178.7	172.8	-179.9	-3.3	114.5	E359	R357-E359 HydrophobicContact CG-CG 4.47Å; R357-E359 IonicContact CZ-OE1 3.46Å; R357-E359 VanDerWaalsContact CZ-OE1 3.25Å; R357-E359 IonicContact NE-OE1 3.56Å; R357-E359 PolarHBondContact NE-OE1 2.93Å; R357-E359 IonicContact NH2-OE1 2.68Å; R357-E359 PolarHBondContact NH2-OE1 2.89Å
358	S	28.3	Very low	27.9	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	74%	0.737	S	S	*	*			trans	-138.9	146.2	157.6	72.5	0	0	0	0	110.8
359	E	26.5	Very low	28.1	Very low	148 Å²	148	141.6 Å²	141.6	69%	0.692	74%	0.738	S	S	*	*			trans	-104.3	107.8	-163.3	-60	-169.3	159.5	0	0	113	R357	R357-E359 HydrophobicContact CG-CG 4.47Å; R357-E359 IonicContact CZ-OE1 3.46Å; R357-E359 VanDerWaalsContact CZ-OE1 3.25Å; R357-E359 IonicContact NE-OE1 3.56Å; R357-E359 PolarHBondContact NE-OE1 2.93Å; R357-E359 IonicContact NH2-OE1 2.68Å; R357-E359 PolarHBondContact NH2-OE1 2.89Å
360	H	28.4	Very low	28.4	Very low	173 Å²	173	142.3 Å²	142.3	80%	0.801	74%	0.739	S	S	*	*			trans	-101.9	111.8	172.7	-103.5	73.5	0	0	0	111.8	V362	H360-V362 PolarHBondContact O-N 3.22Å
361	C	25.2	Very low	28.9	Very low	130 Å²	130	139.4 Å²	139.4	88%	0.878	72%	0.721	S	S	*	*			trans	-92.5	92.8	175.6	-173.4	0	0	0	0	110.8
362	V	28.3	Very low	29.2	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	72%	0.718	S	S	*	*			trans	-82.2	129.4	-178.7	179.4	0	0	0	0	111	H360 V364	H360-V362 PolarHBondContact O-N 3.22Å; V362-V364 PolarHBondContact O-N 3.42Å
363	R	25.5	Very low	29.6	Very low	147 Å²	147	139.3 Å²	139.3	56%	0.555	71%	0.709	S	S	*	*			trans	-77.5	110.7	165.4	-89.4	-178.3	169.9	157	-2.5	108.9	S365 K640	R363-S365 PolarHBondContact O-N 2.9Å; R363-K640 PolarHBondContact NH1-O 3.13Å; R363-K640 PolarHBondContact NH2-O 3.09Å; R363-K640 VanDerWaalsContact NH2-O 3.14Å
364	V	27	Very low	30	Very low	133 Å²	133	139.7 Å²	139.7	81%	0.806	71%	0.705	S	S	*	*			trans	-64.9	117	176.9	178.9	0	0	0	0	110.3	V362	V362-V364 PolarHBondContact O-N 3.42Å
365	S	26.7	Very low	30.5	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	71%	0.708	S	S	*	*			trans	-82.2	152.8	165.2	-171.3	0	0	0	0	109.8	R363 R367	R363-S365 PolarHBondContact O-N 2.9Å; S365-R367 VanDerWaalsContact C-N 3.33Å; S365-R367 PolarHBondContact O-N 3.16Å
366	V	29.4	Very low	30.8	Very low	144 Å²	144	138.6 Å²	138.6	87%	0.873	70%	0.703	S	S	*	*	S	Bend	trans	-82.3	78.8	-174.4	-172.2	0	0	0	0	110.9
367	R	28.4	Very low	30.8	Very low	209 Å²	209	134.1 Å²	134.1	79%	0.789	69%	0.693	S	S	*	*			trans	-133.9	-179.4	162.9	-66.7	-170.9	174.6	164.5	-1.1	108.8	S365	S365-R367 VanDerWaalsContact C-N 3.33Å; S365-R367 PolarHBondContact O-N 3.16Å
368	D	30.2	Very low	31.1	Very low	127 Å²	127	129.9 Å²	129.9	68%	0.679	69%	0.691	S	S	*	*			trans	68.9	43	174	-45.3	-24.2	0	0	0	116.7
369	F	32.9	Very low	31.2	Very low	160 Å²	160	130.5 Å²	130.5	70%	0.702	70%	0.695	S	S	*	*	S	Bend	trans	-93.8	9	165.7	-130	-83.9	0	0	0	113.9	A405	F369-A405 HydrophobicContact CE1-CB 4.1Å; F369-A405 HydrophobicContact CZ-CB 3.87Å
370	S	35.5	Very low	31.4	Very low	92 Å²	92	132 Å²	132	64%	0.643	70%	0.703	S	S	*	*	S	Bend	trans	-113.1	-22.8	-174.9	47.7	0	0	0	0	114.6
371	E	38.1	Very low	31.4	Very low	99 Å²	99	131.9 Å²	131.9	46%	0.463	71%	0.707	S	S	.	*	S	Bend	trans	-79.1	-39.7	179.2	-68.3	-74.1	111.9	0	0	111.6	N373 R374	E371-N373 PolarHBondContact O-N 3.25Å; E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 3.47Å
372	L	33.1	Very low	31.6	Very low	123 Å²	123	134 Å²	134	64%	0.644	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-62.3	-41.4	-168.9	-137.4	82.3	0	0	0	113.9	R374 L375	L372-R374 PolarHBondContact O-N 3.29Å; L372-L375 PolarHBondContact O-N 3.02Å
373	N	36.5	Very low	32	Very low	73 Å²	73	133.1 Å²	133.1	39%	0.39	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-70.4	-13.3	178.9	-80.7	53.8	0	0	0	113.2	E371 S377 D403	E371-N373 PolarHBondContact O-N 3.25Å; N373-S377 PolarHBondContact O-OG 2.94Å; N373-S377 VanDerWaalsContact O-OG 3.06Å; N373-D403 PolarHBondContact ND2-OD2 3.45Å; N373-D403 VanDerWaalsContact ND2-OD2 3.07Å
374	R	37.5	Very low	32.3	Very low	188 Å²	188	134.2 Å²	134.2	71%	0.709	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-83.2	-23.1	180	-143.1	174	-165.7	165.6	5.3	113.2	E371 L372	E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 3.47Å; L372-R374 PolarHBondContact O-N 3.29Å
375	L	38.4	Very low	32.6	Very low	144 Å²	144	139 Å²	139	75%	0.754	72%	0.715	S	S	*	*	S	Bend	trans	-94.9	-3.8	176	-63.4	176.4	0	0	0	113.8	L372	L372-L375 PolarHBondContact O-N 3.02Å
376	L	34.2	Very low	32.9	Very low	122 Å²	122	140.1 Å²	140.1	64%	0.639	72%	0.723	S	S	*	*	S	Bend	trans	-104.7	4.1	179.6	-75.8	167.6	0	0	0	114.1
377	S	31.4	Very low	33	Very low	105 Å²	105	144.8 Å²	144.8	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-113.1	17.2	-174.7	-55.8	0	0	0	0	114.1	N373	N373-S377 PolarHBondContact O-OG 2.94Å; N373-S377 VanDerWaalsContact O-OG 3.06Å
378	S	32	Very low	33.1	Very low	93 Å²	93	141 Å²	141	65%	0.65	73%	0.731	S	S	*	*			trans	-117.2	146.8	178.5	55.1	0	0	0	0	112.1
379	S	31.1	Very low	33.1	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	73%	0.731	S	S	*	*			trans	74	80.6	-178.5	-145.2	0	0	0	0	115.8
380	Q	29.2	Very low	33.1	Very low	180 Å²	180	141 Å²	141	84%	0.841	74%	0.737	S	S	*	*			trans	-51.5	141.9	153.9	-69.2	-96.5	5.7	0	0	111.2
381	L	29.6	Very low	32.6	Very low	171 Å²	171	142.2 Å²	142.2	90%	0.895	74%	0.741	S	S	*	*			trans	-178.2	146.1	132.9	-98.5	163.8	0	0	0	112.2
382	Q	29.9	Very low	32.1	Very low	174 Å²	174	142.2 Å²	142.2	81%	0.813	76%	0.758	S	S	*	*			trans	-155.9	176.5	-176.5	-104.3	-160.5	36.9	0	0	108.1
383	P	36.5	Very low	31.9	Very low	92 Å²	92	141.4 Å²	141.4	60%	0.597	76%	0.763	S	S	*	*			cis	-131.9	-161.7	-40.9	38.9	-22.5	0	0	0	109.7
384	Q	30.9	Very low	31.5	Very low	171 Å²	171	145.6 Å²	145.6	80%	0.799	78%	0.784	S	S	*	*				-169.7	166.7	128.3	-102.6	-45.5	-29.6	0	0	113.3
385	R	32.5	Very low	31	Very low	232 Å²	232	146.7 Å²	146.7	88%	0.875	79%	0.79	S	S	*	*			trans	-126.5	156.6	-178.9	-76	177.2	167.6	167.2	-5.8	112.6
386	S	34.7	Very low	30.6	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	79%	0.789	S	S	*	*			trans	-109.5	168.9	153.8	61	0	0	0	0	110.7
387	R	30	Very low	30.5	Very low	243 Å²	243	146 Å²	146	92%	0.917	79%	0.794	S	S	*	*			trans	-133.6	142.4	-169	-61.7	161.7	77.8	175	3.9	111
388	S	32	Very low	30.2	Very low	129 Å²	129	145.9 Å²	145.9	90%	0.902	79%	0.792	S	S	*	*			trans	-149.5	160.1	147.7	57.9	0	0	0	0	109
389	S	30	Very low	30.1	Very low	98 Å²	98	149 Å²	149	69%	0.685	80%	0.798	S	S	*	*			trans	-115.5	153.2	-174.5	51.5	0	0	0	0	111
390	F	31.1	Very low	30.1	Very low	188 Å²	188	148.8 Å²	148.8	83%	0.825	80%	0.797	S	S	*	*				-168.2	137.1	119.8	-110.8	-79	0	0	0	112
391	T	27.1	Very low	30.1	Very low	119 Å²	119	144.8 Å²	144.8	73%	0.73	79%	0.794	S	S	*	*			trans	18.8	125.6	158.5	50.7	0	0	0	0	123
392	A	26.2	Very low	30.2	Very low	99 Å²	99	142 Å²	142	82%	0.818	79%	0.789	S	S	*	*			trans	78	156.7	136	0	0	0	0	0	121
393	S	28.6	Very low	30.3	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	78%	0.776	S	S	*	*			trans	79.9	113.3	175.7	-151.1	0	0	0	0	118.8
394	L	28.5	Very low	29.8	Very low	160 Å²	160	138.3 Å²	138.3	84%	0.838	79%	0.791	S	S	*	*			trans	49.8	91.5	142.9	-58.3	175.2	0	0	0	120.6
395	Y	27.6	Very low	29.8	Very low	211 Å²	211	132.1 Å²	132.1	83%	0.827	77%	0.769	S	S	*	*			trans	44.8	104.9	131.8	-111.5	-99.3	0	0	0	120.6
396	N	29.7	Very low	29.6	Very low	137 Å²	137	130.1 Å²	130.1	73%	0.733	78%	0.775	S	S	*	*			trans	59.7	120.6	149.6	-61	-10.3	0	0	0	120.5
397	P	31.8	Very low	29.3	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	77%	0.771	S	S	*	*				-142.9	144.2	127	36.5	-22.2	0	0	0	117.9
398	C	26.1	Very low	29.2	Very low	102 Å²	102	129.7 Å²	129.7	69%	0.689	77%	0.771	S	S	*	*			trans	66.3	173.7	138.8	85.9	0	0	0	0	123.9
399	M	28.5	Very low	28.9	Very low	158 Å²	158	130.5 Å²	130.5	78%	0.778	77%	0.766	S	S	*	*			trans	72.1	140.9	-175.5	-58.8	-86.2	132.8	0	0	115.3
400	S	30.9	Very low	28.8	Very low	118 Å²	118	129.6 Å²	129.6	83%	0.825	76%	0.756	S	S	*	*			cis	-132.1	178.6	2.2	-166.4	0	0	0	0	111.7
401	A	29.5	Very low	28.7	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	75%	0.746	S	S	*	*			trans	-121.7	141.2	-170.2	0	0	0	0	0	114.8
402	S	32.1	Very low	28.7	Very low	114 Å²	114	126.9 Å²	126.9	80%	0.797	76%	0.755	S	S	*	*			trans	-157.8	174.3	162.6	48.1	0	0	0	0	110
403	D	32.4	Very low	28.9	Very low	100 Å²	100	128 Å²	128	54%	0.535	74%	0.738	S	S	.	*			trans	59	76.6	174.7	-70.4	22.7	0	0	0	117.5	N373 A405	N373-D403 PolarHBondContact ND2-OD2 3.45Å; N373-D403 VanDerWaalsContact ND2-OD2 3.07Å; D403-A405 VanDerWaalsContact C-N 3.34Å; D403-A405 PolarHBondContact O-N 2.88Å
404	G	26.8	Very low	28.9	Very low	88 Å²	88	127.9 Å²	127.9	91%	0.907	73%	0.734	S	S	*	*			trans	-71.5	74.3	171.6	0	0	0	0	0	114.7
405	A	30.2	Very low	29.1	Very low	41 Å²	41	126.2 Å²	126.2	34%	0.339	73%	0.733	S	S	.	*			trans	-112.6	129.8	163.5	0	0	0	0	0	110.3	F369 D403 K407	F369-A405 HydrophobicContact CE1-CB 4.1Å; F369-A405 HydrophobicContact CZ-CB 3.87Å; D403-A405 VanDerWaalsContact C-N 3.34Å; D403-A405 PolarHBondContact O-N 2.88Å; A405-K407 PolarHBondContact O-N 3.5Å
406	L	27.3	Very low	30.3	Very low	190 Å²	190	120.9 Å²	120.9	100%	0.995	71%	0.712	S	S	*	*			trans	-73.6	63	-173.1	-69.4	174.8	0	0	0	114	L408	L406-L408 PolarHBondContact O-N 3.29Å
407	K	28.9	Very low	32	Very low	178 Å²	178	122.7 Å²	122.7	77%	0.774	71%	0.713	S	S	*	*			trans	-66.2	119.2	168	-69.3	170.7	-179.5	166	0	108.6	A405 N409	A405-K407 PolarHBondContact O-N 3.5Å; K407-N409 PolarHBondContact O-N 2.91Å
408	L	28.5	Very low	34.3	Very low	176 Å²	176	120.2 Å²	120.2	92%	0.921	70%	0.696	S	S	*	*			trans	-72.5	48.8	179.2	-168.3	68.1	0	0	0	112.4	L406 T410	L406-L408 PolarHBondContact O-N 3.29Å; L408-T410 VanDerWaalsContact C-N 3.33Å; L408-T410 PolarHBondContact O-N 3.47Å
409	N	26	Very low	37.2	Very low	147 Å²	147	118.9 Å²	118.9	79%	0.786	68%	0.681	S	S	*	*			trans	-88	71.1	-171.5	-146	24	0	0	0	110.5	K407	K407-N409 PolarHBondContact O-N 2.91Å
410	T	27.1	Very low	40.2	Very low	78 Å²	78	113.2 Å²	113.2	48%	0.479	65%	0.652	S	S	.	*			trans	-143.9	36.7	176.5	-24.5	0	0	0	0	114.3	L408 K613	L408-T410 VanDerWaalsContact C-N 3.33Å; L408-T410 PolarHBondContact O-N 3.47Å; T410-K613 HydrophobicContact CG2-CB 4.48Å; T410-K613 HydrophobicContact CG2-CD 3.58Å; T410-K613 HydrophobicContact CG2-CG 3.97Å; T410-K613 WeakPolarHBondContact O-CE 3.46Å; T410-K613 PolarHBondContact O-NZ 3.1Å
411	F	29.5	Very low	43.1	Very low	140 Å²	140	110.6 Å²	110.6	61%	0.614	63%	0.633	S	S	*	*			trans	-138.8	68.7	151.3	-85.2	-62.5	0	0	0	110.6	R413 K613	F411-R413 HydrophobicContact CB-CB 4.49Å; F411-R413 HydrophobicContact CD1-CB 4.27Å; F411-R413 HydrophobicContact CD1-CG 4.15Å; F411-R413 PolarHBondContact O-N 2.98Å; F411-K613 VanDerWaalsContact CE1-NZ 3.3Å
412	A	27	Very low	46.1	Very low	111 Å²	111	106.9 Å²	106.9	92%	0.917	60%	0.604	S	S	*	*			trans	-64.3	76.3	141.3	0	0	0	0	0	107.7
413	R	30.2	Very low	49	Very low	122 Å²	122	105.3 Å²	105.3	46%	0.46	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-98.8	141.8	166.5	-132.2	172.3	173.6	152.1	-6.7	104.8	F411	F411-R413 HydrophobicContact CB-CB 4.49Å; F411-R413 HydrophobicContact CD1-CB 4.27Å; F411-R413 HydrophobicContact CD1-CG 4.15Å; F411-R413 PolarHBondContact O-N 2.98Å
414	P	27.7	Very low	51.8	Low	103 Å²	103	100.6 Å²	100.6	67%	0.669	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52.8	150.8	165.6	25.6	-34.8	0	0	0	109	R416	P414-R416 PolarHBondContact O-N 3.38Å; P414-R416 VanDerWaalsContact O-N 3.07Å
415	P	34.4	Very low	54.9	Low	126 Å²	126	97.1 Å²	97.1	82%	0.818	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-50	124.1	177.1	22	-33	0	0	0	108.1	K417	P415-K417 PolarHBondContact O-N 2.95Å
416	R	51.9	Low	57.9	Low	98 Å²	98	95.7 Å²	95.7	37%	0.37	51%	0.509	S	S	.	.			trans	-62.5	100.6	-177.6	-74.4	-178.5	176	-161	-4.4	107.1	P414 V418 T448 H451	P414-R416 PolarHBondContact O-N 3.38Å; P414-R416 VanDerWaalsContact O-N 3.07Å; R416-V418 PolarHBondContact O-N 3.33Å; R416-T448 HydrophobicContact CB-CG2 4.42Å; R416-H451 VanDerWaalsContact CZ-CE1 3.43Å; R416-H451 PolarHBondContact NH1-CE1 3.44Å; R416-H451 VanDerWaalsContact NH1-CE1 3.26Å; R416-H451 PolarHBondContact NH1-ND1 3.01Å; R416-H451 VanDerWaalsContact NH1-ND1 3.17Å; R416-H451 PolarHBondContact NH1-NE2 3.35Å; R416-H451 PolarHBondContact NH2-CE1 3.35Å; R416-H451 PolarHBondContact NH2-NE2 3.3Å
417	K	66.4	Low	61	Low	175 Å²	175	86.6 Å²	86.6	76%	0.761	46%	0.462	S	S	*	.			trans	-53.2	113.5	-179.6	-166.7	177.9	-177.4	-175	0	107.5	P415 I419	P415-K417 PolarHBondContact O-N 2.95Å; K417-I419 PolarHBondContact O-N 2.94Å
418	V	79.7	Confident	64.1	Low	64 Å²	64	80.7 Å²	80.7	39%	0.388	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121.8	170.5	169.6	0	0	0	0	105.4	R416 K420 C421 Y446	R416-V418 PolarHBondContact O-N 3.33Å; V418-K420 WeakPolarHBondContact CG1-O 3.43Å; V418-C421 HydrophobicContact CG1-CB 4.13Å; V418-Y446 HydrophobicContact CB-CD1 4.3Å; V418-Y446 HydrophobicContact CG1-CD1 3.66Å; V418-Y446 HydrophobicContact CG1-CE1 4.1Å; V418-Y446 HydrophobicContact CG2-CD1 3.59Å; V418-Y446 HydrophobicContact CG2-CE1 3.91Å
419	I	86.8	Confident	67.1	Low	75 Å²	75	73.6 Å²	73.6	39%	0.385	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-39.6	177.6	-63.5	171.9	0	0	0	108.5	K417 L447 N449 I526	K417-I419 PolarHBondContact O-N 2.94Å; I419-L447 PolarHBondContact N-O 2.8Å; I419-N449 HydrophobicContact CD1-CB 4.01Å; I419-I526 HydrophobicContact CB-CD1 4.26Å; I419-I526 HydrophobicContact CD1-CD1 3.48Å; I419-I526 VanDerWaalsContact CD1-CD1 3.48Å; I419-I526 HydrophobicContact CD1-CG1 3.67Å; I419-I526 HydrophobicContact CG1-CD1 4.45Å; I419-I526 HydrophobicContact CG2-CD1 4.16Å
420	K	90.8	Very high	70.2	Confident	39 Å²	39	68.1 Å²	68.1	17%	0.17	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.2	176.2	-157.3	170.9	-165.6	71	0	111.6	V418 L447 D518 W519	V418-K420 WeakPolarHBondContact CG1-O 3.43Å; K420-L447 HydrophobicContact CB-CB 3.99Å; K420-L447 HydrophobicContact CB-CD2 4.16Å; K420-L447 PolarHBondContact N-O 3.4Å; K420-L447 PolarHBondContact O-N 2.99Å; K420-D518 WeakPolarHBondContact CE-OD1 3.43Å; K420-D518 WeakPolarHBondContact CE-OD2 3.39Å; K420-D518 IonicContact NZ-OD1 2.9Å; K420-D518 PolarHBondContact NZ-OD1 3.5Å; K420-D518 IonicContact NZ-OD2 3.19Å; K420-D518 PolarHBondContact NZ-OD2 3.39Å; K420-W519 HydrophobicContact CB-CH2 4.3Å; K420-W519 HydrophobicContact CB-CZ3 4.34Å; K420-W519 HydrophobicContact CD-CD2 3.68Å; K420-W519 HydrophobicContact CD-CE3 3.94Å; K420-W519 HydrophobicContact CD-CG 4.04Å; K420-W519 HydrophobicContact CD-CH2 4.44Å; K420-W519 HydrophobicContact CD-CZ2 4.22Å; K420-W519 HydrophobicContact CD-CZ3 4.33Å; K420-W519 HydrophobicContact CG-CD2 4.41Å; K420-W519 HydrophobicContact CG-CH2 4.18Å; K420-W519 HydrophobicContact CG-CZ2 4.07Å; K420-W519 HydrophobicContact CG-CZ3 4.42Å
421	C	92	Very high	73.2	Confident	63 Å²	63	67.9 Å²	67.9	43%	0.426	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.9	164.3	62.4	0	0	0	0	111.8	V418 F444 V445 Y446	V418-C421 HydrophobicContact CG1-CB 4.13Å; C421-F444 HydrophobicContact CB-CE1 4.08Å; C421-F444 HydrophobicContact CB-CZ 4.01Å; C421-V445 WeakPolarHBondContact CA-O 3.35Å; C421-V445 WeakPolarHBondContact CB-O 3.31Å; C421-Y446 HydrophobicContact CB-CD1 3.51Å; C421-Y446 HydrophobicContact CB-CE1 3.62Å; C421-Y446 HydrophobicContact CB-CG 4.2Å
422	G	91.9	Very high	75.8	Confident	16 Å²	16	63.7 Å²	63.7	17%	0.165	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	178.8	-178.4	0	0	0	0	0	112.9	F444 V445	G422-F444 CarbonylContact O-C 3.51Å; G422-F444 WeakPolarHBondContact O-CA 3.49Å; G422-V445 PolarHBondContact N-O 3.2Å; G422-V445 VanDerWaalsContact N-O 3.16Å; G422-V445 PolarHBondContact O-N 2.93Å
423	N	92.7	Very high	78.5	Confident	81 Å²	81	60.8 Å²	60.8	43%	0.433	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.7	173.9	-67.7	-62.7	0	0	0	110.6	T442	N423-T442 HydrophobicContact CB-CG2 4.01Å
424	L	92.7	Very high	81.2	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.9	177	-158.7	62.3	0	0	0	110.4	C443 V445 F496 F508 I516 W519	L424-C443 PolarHBondContact N-O 3.31Å; L424-C443 PolarHBondContact O-N 2.95Å; L424-V445 HydrophobicContact CB-CG2 3.8Å; L424-F496 HydrophobicContact CD2-CZ 4.42Å; L424-F508 HydrophobicContact CD2-CB 4.06Å; L424-F508 HydrophobicContact CD2-CD1 3.47Å; L424-F508 VanDerWaalsContact CD2-CD1 3.47Å; L424-F508 HydrophobicContact CD2-CE1 4.18Å; L424-F508 HydrophobicContact CD2-CG 4Å; L424-F508 HydrophobicContact CG-CB 4.36Å; L424-F508 HydrophobicContact CG-CD1 3.92Å; L424-I516 HydrophobicContact CD1-CD1 4.07Å; L424-W519 HydrophobicContact CD1-CG 4.22Å; L424-W519 HydrophobicContact CD2-CD2 4.03Å; L424-W519 HydrophobicContact CD2-CE3 4.17Å; L424-W519 HydrophobicContact CD2-CG 4.29Å
425	A	92	Very high	84.1	Confident	14 Å²	14	68.4 Å²	68.4	12%	0.116	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.8	175.5	0	0	0	0	0	110	W440 F508 H509	A425-W440 HydrophobicContact CB-CE3 4.48Å; A425-F508 VanDerWaalsContact O-CA 3.31Å; A425-F508 WeakPolarHBondContact O-CA 3.15Å; A425-H509 WeakPolarHBondContact CA-O 3.28Å; A425-H509 VanDerWaalsContact CB-O 3.29Å; A425-H509 WeakPolarHBondContact CB-O 3.41Å; A425-H509 PolarHBondContact N-O 2.9Å; A425-H509 PolarHBondContact O-N 3.47Å
426	R	92.4	Very high	86.7	Confident	11 Å²	11	65.7 Å²	65.7	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.1	-173.9	-176.7	174.9	65.6	137.5	-2.7	111.7	W440 F441 Y506 L507 F508	R426-W440 WeakPolarHBondContact O-CA 3.46Å; R426-F441 PolarHBondContact N-O 3.18Å; R426-F441 VanDerWaalsContact NH2-CZ 3.33Å; R426-F441 PolarHBondContact O-N 3.06Å; R426-F441 VanDerWaalsContact O-N 3.09Å; R426-Y506 HydrophobicContact CG-CD1 3.84Å; R426-L507 CarbonylContact C-O 3.53Å; R426-L507 WeakPolarHBondContact CA-O 3.48Å; R426-F508 HydrophobicContact CB-CD1 4.05Å; R426-F508 HydrophobicContact CB-CE1 3.77Å; R426-F508 HydrophobicContact CG-CD1 4.14Å; R426-F508 HydrophobicContact CG-CE1 3.51Å; R426-F508 HydrophobicContact CG-CZ 3.91Å
427	C	92.4	Very high	88.3	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	115.2	166.6	165	0	0	0	0	110.9	H439 W440 Y506 L507	C427-H439 WeakPolarHBondContact CA-O 3.23Å; C427-W440 HydrophobicContact CB-CD2 3.35Å; C427-W440 VanDerWaalsContact CB-CE2 3.49Å; C427-W440 HydrophobicContact CB-CE3 3.51Å; C427-W440 HydrophobicContact CB-CG 3.93Å; C427-W440 HydrophobicContact CB-CH2 3.94Å; C427-W440 HydrophobicContact CB-CZ2 3.8Å; C427-W440 HydrophobicContact CB-CZ3 3.8Å; C427-Y506 CarbonylContact O-C 3.57Å; C427-Y506 WeakPolarHBondContact O-CA 3.5Å; C427-L507 PolarHBondContact N-O 3.42Å; C427-L507 PolarHBondContact O-N 2.92Å
428	K	93.2	Very high	89.3	Confident	53 Å²	53	70.1 Å²	70.1	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.1	165.8	-162.4	-177.5	-172.9	-175.6	0	108.4	M430 D431 I436 T504 Y506	K428-M430 WeakPolarHBondContact CE-O 3.32Å; K428-D431 VanDerWaalsContact CE-CG 3.48Å; K428-D431 WeakPolarHBondContact CE-OD2 3.32Å; K428-D431 IonicContact NZ-OD1 2.66Å; K428-D431 PolarHBondContact NZ-OD1 2.85Å; K428-D431 IonicContact NZ-OD2 2.62Å; K428-D431 PolarHBondContact NZ-OD2 3.41Å; K428-I436 HydrophobicContact CB-CD1 4.04Å; K428-I436 HydrophobicContact CD-CD1 3.93Å; K428-I436 HydrophobicContact CG-CD1 3.84Å; K428-T504 HydrophobicContact CD-CG2 4.44Å; K428-T504 VanDerWaalsContact CE-CG2 3.4Å; K428-T504 HydrophobicContact CG-CG2 4.41Å; K428-Y506 HydrophobicContact CB-CD1 3.77Å; K428-Y506 HydrophobicContact CB-CE1 3.62Å; K428-Y506 HydrophobicContact CD-CE1 4.04Å; K428-Y506 HydrophobicContact CG-CD1 4Å; K428-Y506 HydrophobicContact CG-CE1 3.61Å
429	F	91.6	Very high	89.6	Confident	28 Å²	28	73.2 Å²	73.2	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-13.3	-179.5	77.5	-83	0	0	0	114.2	R435 I436 K438 Q497 A505 L507	F429-R435 WeakPolarHBondContact O-CA 3.46Å; F429-I436 PolarHBondContact O-N 3.49Å; F429-K438 HydrophobicContact CB-CG 3.93Å; F429-Q497 HydrophobicContact CE1-CG 4.29Å; F429-Q497 HydrophobicContact CZ-CG 4.26Å; F429-A505 HydrophobicContact CD1-CB 4.16Å; F429-A505 WeakPolarHBondContact CD1-O 3.46Å; F429-A505 HydrophobicContact CE1-CB 3.5Å; F429-A505 VanDerWaalsContact CE1-CB 3.5Å; F429-A505 HydrophobicContact CE2-CB 4.29Å; F429-A505 HydrophobicContact CZ-CB 3.58Å; F429-A505 PolarHBondContact N-O 3.35Å; F429-L507 HydrophobicContact CD1-CD1 4.19Å; F429-L507 HydrophobicContact CD1-CD2 4.36Å; F429-L507 HydrophobicContact CD1-CG 3.71Å; F429-L507 HydrophobicContact CE1-CD1 4.49Å; F429-L507 HydrophobicContact CE1-CD2 3.9Å; F429-L507 HydrophobicContact CE1-CG 3.76Å
430	M	91.9	Very high	89.8	Confident	32 Å²	32	73.4 Å²	73.4	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.7	163.1	-55	-166.2	-63.7	0	0	111	K428 K434 R435 T504 A505	K428-M430 WeakPolarHBondContact CE-O 3.32Å; M430-K434 CarbonylContact C-O 3.43Å; M430-K434 WeakPolarHBondContact CA-O 3.33Å; M430-R435 HydrophobicContact CG-CG 4.31Å; M430-R435 HydrophobicContact SD-CG 4.4Å; M430-T504 WeakPolarHBondContact O-CA 3.46Å; M430-A505 HydrophobicContact CB-CB 3.96Å; M430-A505 HydrophobicContact CE-CB 3.51Å; M430-A505 HydrophobicContact CG-CB 4.22Å; M430-A505 PolarHBondContact N-O 3.06Å; M430-A505 PolarHBondContact O-N 3.08Å
431	D	90.1	Very high	89.8	Confident	73 Å²	73	75.1 Å²	75.1	39%	0.39	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.7	-178.4	-156	-8.5	0	0	0	109.1	K428 G433 K434 I436	K428-D431 VanDerWaalsContact CE-CG 3.48Å; K428-D431 WeakPolarHBondContact CE-OD2 3.32Å; K428-D431 IonicContact NZ-OD1 2.66Å; K428-D431 PolarHBondContact NZ-OD1 2.85Å; K428-D431 IonicContact NZ-OD2 2.62Å; K428-D431 PolarHBondContact NZ-OD2 3.41Å; D431-G433 PolarHBondContact O-N 2.84Å; D431-K434 PolarHBondContact N-O 2.91Å; D431-K434 WeakPolarHBondContact O-CB 3.43Å; D431-K434 PolarHBondContact O-N 2.94Å; D431-I436 HydrophobicContact CB-CD1 4.44Å; D431-I436 HydrophobicContact CB-CG2 3.86Å
432	G	84	Confident	89.8	Confident	51 Å²	51	76.3 Å²	76.3	53%	0.526	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.6	-174	0	0	0	0	0	113.8	K434 D502	G432-K434 PolarHBondContact O-N 2.72Å; G432-D502 WeakPolarHBondContact CA-O 3.45Å
433	G	83.4	Confident	89.8	Confident	51 Å²	51	75.6 Å²	75.6	53%	0.526	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-5.7	-174.7	0	0	0	0	0	115.7	D431 G503	D431-G433 PolarHBondContact O-N 2.84Å; G433-G503 WeakPolarHBondContact CA-O 3.5Å; G433-G503 PolarHBondContact N-O 3.19Å
434	K	87.3	Confident	89.7	Confident	162 Å²	162	72.1 Å²	72.1	70%	0.704	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.7	177.3	-60.9	177.5	-176.5	174.6	0	110.4	M430 D431 G432	M430-K434 CarbonylContact C-O 3.43Å; M430-K434 WeakPolarHBondContact CA-O 3.33Å; D431-K434 PolarHBondContact N-O 2.91Å; D431-K434 WeakPolarHBondContact O-CB 3.43Å; D431-K434 PolarHBondContact O-N 2.94Å; G432-K434 PolarHBondContact O-N 2.72Å
435	R	88.2	Confident	89.8	Confident	223 Å²	223	72 Å²	72	84%	0.842	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.4	173	-68.5	-175.2	174.6	-155.5	-2.6	110.6	F429 M430	F429-R435 WeakPolarHBondContact O-CA 3.46Å; M430-R435 HydrophobicContact CG-CG 4.31Å; M430-R435 HydrophobicContact SD-CG 4.4Å
436	I	89.3	Confident	89.8	Confident	69 Å²	69	73.8 Å²	73.8	35%	0.354	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.8	176.4	63.6	167.1	0	0	0	111.1	K428 F429 D431 K438	K428-I436 HydrophobicContact CB-CD1 4.04Å; K428-I436 HydrophobicContact CD-CD1 3.93Å; K428-I436 HydrophobicContact CG-CD1 3.84Å; F429-I436 PolarHBondContact O-N 3.49Å; D431-I436 HydrophobicContact CB-CD1 4.44Å; D431-I436 HydrophobicContact CB-CG2 3.86Å; I436-K438 PolarHBondContact O-N 3.11Å
437	R	85.7	Confident	89.8	Confident	237 Å²	237	73.3 Å²	73.3	89%	0.894	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	119.7	176.1	-176.6	176.2	-178.9	167.8	2	109.5	H439	R437-H439 PolarHBondContact O-N 2.73Å
438	K	87.8	Confident	89.7	Confident	128 Å²	128	73.5 Å²	73.5	56%	0.557	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	125	176.2	-68.9	-172.3	177.5	-175.7	0	110.1	F429 I436	F429-K438 HydrophobicContact CB-CG 3.93Å; I436-K438 PolarHBondContact O-N 3.11Å
439	H	86.4	Confident	89.4	Confident	129 Å²	129	75.7 Å²	75.7	60%	0.597	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.6	174.3	-173.1	-82.8	0	0	0	109	C427 R437 F441	C427-H439 WeakPolarHBondContact CA-O 3.23Å; R437-H439 PolarHBondContact O-N 2.73Å; H439-F441 AromaticContact ND1-CD1 3.59Å
440	W	89.4	Confident	89.1	Confident	80 Å²	80	74.9 Å²	74.9	30%	0.303	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.9	-176.9	-75.5	100.9	0	0	0	111.4	A425 R426 C427 L495 L507	A425-W440 HydrophobicContact CB-CE3 4.48Å; R426-W440 WeakPolarHBondContact O-CA 3.46Å; C427-W440 HydrophobicContact CB-CD2 3.35Å; C427-W440 VanDerWaalsContact CB-CE2 3.49Å; C427-W440 HydrophobicContact CB-CE3 3.51Å; C427-W440 HydrophobicContact CB-CG 3.93Å; C427-W440 HydrophobicContact CB-CH2 3.94Å; C427-W440 HydrophobicContact CB-CZ2 3.8Å; C427-W440 HydrophobicContact CB-CZ3 3.8Å; W440-L495 HydrophobicContact CH2-CD2 3.68Å; W440-L495 HydrophobicContact CZ2-CD2 4.18Å; W440-L507 HydrophobicContact CH2-CB 3.63Å; W440-L507 HydrophobicContact CZ2-CB 4.08Å; W440-L507 HydrophobicContact CZ2-CD1 4.25Å; W440-L507 HydrophobicContact CZ3-CB 4.46Å
441	F	90.8	Very high	89	Confident	75 Å²	75	74.8 Å²	74.8	33%	0.329	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.4	171	55.5	-77.8	0	0	0	110.5	R426 H439 C443 L472	R426-F441 PolarHBondContact N-O 3.18Å; R426-F441 VanDerWaalsContact NH2-CZ 3.33Å; R426-F441 PolarHBondContact O-N 3.06Å; R426-F441 VanDerWaalsContact O-N 3.09Å; H439-F441 AromaticContact ND1-CD1 3.59Å; F441-C443 HydrophobicContact CD2-CB 4.49Å; F441-C443 HydrophobicContact CE2-CB 4.48Å; F441-L472 HydrophobicContact CE2-CD1 4.02Å
442	T	91.7	Very high	89.1	Confident	88 Å²	88	71.3 Å²	71.3	54%	0.54	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.2	170.3	-47.6	0	0	0	0	109.6	N423	N423-T442 HydrophobicContact CB-CG2 4.01Å
443	C	92.2	Very high	89.5	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.6	172.4	51.4	0	0	0	0	109.7	L424 F441 Y455 L472	L424-C443 PolarHBondContact N-O 3.31Å; L424-C443 PolarHBondContact O-N 2.95Å; F441-C443 HydrophobicContact CD2-CB 4.49Å; F441-C443 HydrophobicContact CE2-CB 4.48Å; C443-Y455 WeakPolarHBondContact CA-O 3.41Å; C443-Y455 VanDerWaalsContact CB-O 3.23Å; C443-Y455 WeakPolarHBondContact CB-O 3.32Å; C443-L472 HydrophobicContact CB-CD1 4.41Å
444	F	92.1	Very high	89.9	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.6	170.5	-166.9	-98.1	0	0	0	109	C421 G422 Y446 F454 Y455 Q458 S461	C421-F444 HydrophobicContact CB-CE1 4.08Å; C421-F444 HydrophobicContact CB-CZ 4.01Å; G422-F444 CarbonylContact O-C 3.51Å; G422-F444 WeakPolarHBondContact O-CA 3.49Å; F444-Y446 HydrophobicContact CD1-CD2 4.27Å; F444-Y446 HydrophobicContact CD1-CE2 4.04Å; F444-Y446 HydrophobicContact CE1-CD2 4.12Å; F444-Y446 HydrophobicContact CE1-CE1 4.42Å; F444-Y446 AromaticContact CE1-CE2 3.65Å; F444-Y446 HydrophobicContact CE1-CE2 3.65Å; F444-Y446 AromaticContact CE1-CZ 3.81Å; F444-F454 CarbonylContact O-C 3.47Å; F444-Y455 PolarHBondContact N-O 2.67Å; F444-Y455 PolarHBondContact O-N 3.38Å; F444-Q458 HydrophobicContact CD2-CB 3.61Å; F444-Q458 HydrophobicContact CD2-CG 4.1Å; F444-Q458 HydrophobicContact CE1-CG 4.43Å; F444-Q458 HydrophobicContact CE2-CB 3.78Å; F444-Q458 HydrophobicContact CE2-CG 3.74Å; F444-Q458 HydrophobicContact CG-CB 4.03Å; F444-Q458 HydrophobicContact CZ-CB 4.35Å; F444-Q458 HydrophobicContact CZ-CG 3.92Å; F444-S461 WeakPolarHBondContact CD1-OG 3.41Å; F444-S461 WeakPolarHBondContact CE1-OG 3.29Å
445	V	93.4	Very high	90	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.1	-170.3	-172.4	0	0	0	0	109.7	C421 G422 L424 M452 I453 F454 W519	C421-V445 WeakPolarHBondContact CA-O 3.35Å; C421-V445 WeakPolarHBondContact CB-O 3.31Å; G422-V445 PolarHBondContact N-O 3.2Å; G422-V445 VanDerWaalsContact N-O 3.16Å; G422-V445 PolarHBondContact O-N 2.93Å; L424-V445 HydrophobicContact CB-CG2 3.8Å; V445-M452 HydrophobicContact CG1-CG 3.41Å; V445-M452 VanDerWaalsContact CG1-CG 3.41Å; V445-M452 HydrophobicContact CG1-SD 3.75Å; V445-I453 CarbonylContact C-O 3.59Å; V445-I453 WeakPolarHBondContact CA-O 3.4Å; V445-F454 HydrophobicContact CG1-CD1 4.3Å; V445-F454 HydrophobicContact CG1-CE1 4.47Å; V445-F454 HydrophobicContact CG2-CD1 4.07Å; V445-W519 HydrophobicContact CB-CH2 3.71Å; V445-W519 HydrophobicContact CB-CZ2 4.35Å; V445-W519 HydrophobicContact CB-CZ3 4.24Å; V445-W519 HydrophobicContact CG1-CH2 3.81Å; V445-W519 HydrophobicContact CG1-CZ3 3.86Å
446	Y	92.1	Very high	90	Very high	52 Å²	52	57 Å²	57	20%	0.204	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.1	164.4	-80.8	-80.2	0	0	0	109.9	V418 C421 F444 M452 I453 Y455	V418-Y446 HydrophobicContact CB-CD1 4.3Å; V418-Y446 HydrophobicContact CG1-CD1 3.66Å; V418-Y446 HydrophobicContact CG1-CE1 4.1Å; V418-Y446 HydrophobicContact CG2-CD1 3.59Å; V418-Y446 HydrophobicContact CG2-CE1 3.91Å; C421-Y446 HydrophobicContact CB-CD1 3.51Å; C421-Y446 HydrophobicContact CB-CE1 3.62Å; C421-Y446 HydrophobicContact CB-CG 4.2Å; F444-Y446 HydrophobicContact CD1-CD2 4.27Å; F444-Y446 HydrophobicContact CD1-CE2 4.04Å; F444-Y446 HydrophobicContact CE1-CD2 4.12Å; F444-Y446 HydrophobicContact CE1-CE1 4.42Å; F444-Y446 AromaticContact CE1-CE2 3.65Å; F444-Y446 HydrophobicContact CE1-CE2 3.65Å; F444-Y446 AromaticContact CE1-CZ 3.81Å; Y446-M452 WeakPolarHBondContact O-CA 3.46Å; Y446-I453 PolarHBondContact N-O 3.29Å; Y446-I453 PolarHBondContact O-N 2.81Å; Y446-Y455 AromaticContact CD2-CD2 3.9Å; Y446-Y455 HydrophobicContact CD2-CD2 3.9Å; Y446-Y455 AromaticContact CD2-CE2 3.62Å; Y446-Y455 HydrophobicContact CD2-CE2 3.62Å; Y446-Y455 HydrophobicContact CE2-CD2 4.31Å; Y446-Y455 HydrophobicContact CE2-CE2 4.06Å
447	L	93.2	Very high	89.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.4	172.4	-175.6	54.5	0	0	0	109.8	I419 K420 M452 L477 W519 L523 I526	I419-L447 PolarHBondContact N-O 2.8Å; K420-L447 HydrophobicContact CB-CB 3.99Å; K420-L447 HydrophobicContact CB-CD2 4.16Å; K420-L447 PolarHBondContact N-O 3.4Å; K420-L447 PolarHBondContact O-N 2.99Å; L447-M452 HydrophobicContact CD1-CB 4.4Å; L447-L477 HydrophobicContact CD1-CD1 3.77Å; L447-W519 HydrophobicContact CB-CZ3 3.95Å; L447-W519 HydrophobicContact CD2-CE3 4.42Å; L447-W519 HydrophobicContact CD2-CZ3 4.3Å; L447-L523 HydrophobicContact CD1-CD1 3.77Å; L447-L523 HydrophobicContact CD2-CB 4.38Å; L447-I526 HydrophobicContact CD1-CD1 3.69Å; L447-I526 HydrophobicContact CD2-CD1 3.69Å; L447-I526 HydrophobicContact CG-CD1 3.48Å; L447-I526 VanDerWaalsContact CG-CD1 3.48Å
448	T	89.7	Confident	90	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.9	176.4	65.9	0	0	0	0	109.2	R416 A450 H451	R416-T448 HydrophobicContact CB-CG2 4.42Å; T448-A450 PolarHBondContact O-N 3.47Å; T448-H451 PolarHBondContact N-O 3.34Å; T448-H451 PolarHBondContact O-N 2.89Å; T448-H451 VanDerWaalsContact O-N 3.13Å; T448-H451 PolarHBondContact OG1-N 2.96Å; T448-H451 PolarHBondContact OG1-O 3.06Å
449	N	86.1	Confident	89.8	Confident	98 Å²	98	50.9 Å²	50.9	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	4.5	-177.5	73.5	-22.4	0	0	0	118	I419	I419-N449 HydrophobicContact CD1-CB 4.01Å
450	A	86.5	Confident	89.6	Confident	12 Å²	12	45.2 Å²	45.2	10%	0.099	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.9	-4.1	172	0	0	0	0	0	113.8	T448 L477 M530	T448-A450 PolarHBondContact O-N 3.47Å; A450-L477 PolarHBondContact O-N 3.19Å; A450-M530 HydrophobicContact CB-SD 4.33Å
451	H	90.2	Very high	89.1	Confident	30 Å²	30	42.1 Å²	42.1	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.5	-174.7	-41.6	63	0	0	0	111.7	R416 T448 I453 V474 C475	R416-H451 VanDerWaalsContact CZ-CE1 3.43Å; R416-H451 PolarHBondContact NH1-CE1 3.44Å; R416-H451 VanDerWaalsContact NH1-CE1 3.26Å; R416-H451 PolarHBondContact NH1-ND1 3.01Å; R416-H451 VanDerWaalsContact NH1-ND1 3.17Å; R416-H451 PolarHBondContact NH1-NE2 3.35Å; R416-H451 PolarHBondContact NH2-CE1 3.35Å; R416-H451 PolarHBondContact NH2-NE2 3.3Å; T448-H451 PolarHBondContact N-O 3.34Å; T448-H451 PolarHBondContact O-N 2.89Å; T448-H451 VanDerWaalsContact O-N 3.13Å; T448-H451 PolarHBondContact OG1-N 2.96Å; T448-H451 PolarHBondContact OG1-O 3.06Å; H451-I453 HydrophobicContact CB-CG1 4.41Å; H451-V474 HydrophobicContact CB-CG1 3.98Å; H451-C475 CarbonylContact C-O 3.59Å; H451-C475 WeakPolarHBondContact CA-O 3.46Å; H451-C475 WeakPolarHBondContact CB-O 3.34Å
452	M	92.3	Very high	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.9	164	-173.6	164.6	56.9	0	0	109.2	V445 Y446 L447 F454 C475 L477 L498 F508	V445-M452 HydrophobicContact CG1-CG 3.41Å; V445-M452 VanDerWaalsContact CG1-CG 3.41Å; V445-M452 HydrophobicContact CG1-SD 3.75Å; Y446-M452 WeakPolarHBondContact O-CA 3.46Å; L447-M452 HydrophobicContact CD1-CB 4.4Å; M452-F454 HydrophobicContact CE-CE1 3.95Å; M452-F454 HydrophobicContact CE-CZ 3.97Å; M452-F454 HydrophobicContact CG-CE1 3.97Å; M452-F454 HydrophobicContact CG-CZ 4.27Å; M452-F454 HydrophobicContact SD-CE1 4.26Å; M452-C475 HydrophobicContact CB-CB 4.44Å; M452-C475 PolarHBondContact N-O 2.92Å; M452-C475 PolarHBondContact O-N 3.09Å; M452-L477 HydrophobicContact CB-CD1 4.34Å; M452-L477 HydrophobicContact CB-CD2 4.12Å; M452-L477 HydrophobicContact CB-CG 4.48Å; M452-L498 HydrophobicContact CE-CD2 3.34Å; M452-F508 HydrophobicContact CE-CE1 4.26Å; M452-F508 HydrophobicContact CE-CE2 3.71Å; M452-F508 HydrophobicContact CE-CZ 3.43Å; M452-F508 VanDerWaalsContact CE-CZ 3.43Å; M452-F508 HydrophobicContact SD-CZ 4.39Å
453	I	91.7	Very high	87.1	Confident	24 Å²	24	43 Å²	43	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.6	-171.8	-53.9	172.7	0	0	0	108.5	V445 Y446 H451 Y455 P471 V474	V445-I453 CarbonylContact C-O 3.59Å; V445-I453 WeakPolarHBondContact CA-O 3.4Å; Y446-I453 PolarHBondContact N-O 3.29Å; Y446-I453 PolarHBondContact O-N 2.81Å; H451-I453 HydrophobicContact CB-CG1 4.41Å; I453-Y455 HydrophobicContact CB-CE2 4.43Å; I453-Y455 HydrophobicContact CG2-CD2 4.14Å; I453-Y455 HydrophobicContact CG2-CE2 3.49Å; I453-Y455 VanDerWaalsContact CG2-CE2 3.49Å; I453-P471 HydrophobicContact CG2-CB 3.7Å; I453-P471 HydrophobicContact CG2-CG 4.27Å; I453-V474 HydrophobicContact CG1-CG1 4.18Å; I453-V474 HydrophobicContact CG1-CG2 4.24Å; I453-V474 HydrophobicContact CG2-CG2 4.18Å
454	F	92.3	Very high	85.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.7	179.9	-40.6	-79.4	0	0	0	111	F444 V445 M452 P471 L472 G473 C475 F508	F444-F454 CarbonylContact O-C 3.47Å; V445-F454 HydrophobicContact CG1-CD1 4.3Å; V445-F454 HydrophobicContact CG1-CE1 4.47Å; V445-F454 HydrophobicContact CG2-CD1 4.07Å; M452-F454 HydrophobicContact CE-CE1 3.95Å; M452-F454 HydrophobicContact CE-CZ 3.97Å; M452-F454 HydrophobicContact CG-CE1 3.97Å; M452-F454 HydrophobicContact CG-CZ 4.27Å; M452-F454 HydrophobicContact SD-CE1 4.26Å; F454-P471 CarbonylContact O-C 3.57Å; F454-P471 WeakPolarHBondContact O-CA 3.49Å; F454-P471 WeakPolarHBondContact O-CB 3.26Å; F454-L472 HydrophobicContact CB-CB 4.18Å; F454-L472 PolarHBondContact O-N 2.86Å; F454-G473 WeakPolarHBondContact CD2-O 3.27Å; F454-G473 PolarHBondContact N-O 3.45Å; F454-C475 HydrophobicContact CE2-CB 4.49Å; F454-C475 WeakPolarHBondContact CE2-SG 3.41Å; F454-C475 VanDerWaalsContact CZ-SG 3.59Å; F454-F508 AromaticContact CE1-CE1 3.92Å; F454-F508 HydrophobicContact CE1-CE1 3.92Å; F454-F508 AromaticContact CE1-CZ 3.81Å; F454-F508 HydrophobicContact CE1-CZ 3.81Å; F454-F508 HydrophobicContact CZ-CZ 4.18Å
455	Y	89.3	Confident	83.2	Confident	18 Å²	18	54.1 Å²	54.1	7%	0.071	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	161.8	169.5	-66.6	-91.2	0	0	0	109.9	C443 F444 Y446 I453 S461 Y468 P471	C443-Y455 WeakPolarHBondContact CA-O 3.41Å; C443-Y455 VanDerWaalsContact CB-O 3.23Å; C443-Y455 WeakPolarHBondContact CB-O 3.32Å; F444-Y455 PolarHBondContact N-O 2.67Å; F444-Y455 PolarHBondContact O-N 3.38Å; Y446-Y455 AromaticContact CD2-CD2 3.9Å; Y446-Y455 HydrophobicContact CD2-CD2 3.9Å; Y446-Y455 AromaticContact CD2-CE2 3.62Å; Y446-Y455 HydrophobicContact CD2-CE2 3.62Å; Y446-Y455 HydrophobicContact CE2-CD2 4.31Å; Y446-Y455 HydrophobicContact CE2-CE2 4.06Å; I453-Y455 HydrophobicContact CB-CE2 4.43Å; I453-Y455 HydrophobicContact CG2-CD2 4.14Å; I453-Y455 HydrophobicContact CG2-CE2 3.49Å; I453-Y455 VanDerWaalsContact CG2-CE2 3.49Å; Y455-S461 VanDerWaalsContact CD2-CB 3.47Å; Y455-Y468 HydrophobicContact CE1-CE2 4.22Å; Y455-Y468 PolarHBondContact OH-OH 2.83Å; Y455-Y468 VanDerWaalsContact OH-OH 3.07Å; Y455-P471 HydrophobicContact CD1-CB 4.21Å; Y455-P471 HydrophobicContact CE1-CB 3.97Å
456	K	87	Confident	80.9	Confident	144 Å²	144	61.4 Å²	61.4	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-61.5	-45.8	-179.3	-174.9	-167.1	167.8	-147.4	0	112.1	A460 L472	K456-A460 HydrophobicContact CB-CB 4.35Å; K456-L472 HydrophobicContact CB-CD1 4.39Å
457	D	87.2	Confident	79	Confident	57 Å²	57	64 Å²	64	31%	0.305	32%	0.324	S	S	.	.	S	Bend	trans	-155	167.9	-177.7	47.6	65.5	0	0	0	107.9	K459 A460 S461	D457-K459 VanDerWaalsContact C-N 3.31Å; D457-K459 PolarHBondContact O-N 3.16Å; D457-K459 PolarHBondContact OD1-N 3.42Å; D457-A460 PolarHBondContact O-N 2.93Å; D457-A460 VanDerWaalsContact OD1-CB 3.3Å; D457-A460 WeakPolarHBondContact OD1-CB 3.43Å; D457-A460 PolarHBondContact OD1-N 3.14Å; D457-S461 PolarHBondContact O-N 3.16Å
458	Q	88.1	Confident	77.1	Confident	88 Å²	88	70 Å²	70	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-57.3	-44.8	-179.5	179.6	172.7	-14.6	0	0	111.8	F444 A460 S461 E462	F444-Q458 HydrophobicContact CD2-CB 3.61Å; F444-Q458 HydrophobicContact CD2-CG 4.1Å; F444-Q458 HydrophobicContact CE1-CG 4.43Å; F444-Q458 HydrophobicContact CE2-CB 3.78Å; F444-Q458 HydrophobicContact CE2-CG 3.74Å; F444-Q458 HydrophobicContact CG-CB 4.03Å; F444-Q458 HydrophobicContact CZ-CB 4.35Å; F444-Q458 HydrophobicContact CZ-CG 3.92Å; Q458-A460 VanDerWaalsContact C-N 3.33Å; Q458-A460 PolarHBondContact O-N 2.94Å; Q458-S461 WeakPolarHBondContact O-CA 3.48Å; Q458-S461 WeakPolarHBondContact O-CB 3.36Å; Q458-S461 PolarHBondContact O-N 3.38Å; Q458-S461 PolarHBondContact O-OG 3.26Å; Q458-E462 HydrophobicContact CG-CG 4.43Å; Q458-E462 WeakPolarHBondContact CG-OE1 3.42Å; Q458-E462 PolarHBondContact NE2-OE1 2.84Å; Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 3.43Å; Q458-E462 VanDerWaalsContact O-N 3.11Å
459	K	84.7	Confident	75.8	Confident	160 Å²	160	71.3 Å²	71.3	70%	0.696	36%	0.359	S	S	*	.	H	α-helix	trans	-60.7	-37.7	180	-61.7	-169.5	176.1	-166.6	0	113	D457 S461 E462 K463	D457-K459 VanDerWaalsContact C-N 3.31Å; D457-K459 PolarHBondContact O-N 3.16Å; D457-K459 PolarHBondContact OD1-N 3.42Å; K459-S461 PolarHBondContact O-N 3.24Å; K459-E462 PolarHBondContact O-N 3Å; K459-K463 WeakPolarHBondContact O-CG 3.39Å
460	A	82.1	Confident	75.1	Confident	11 Å²	11	70.5 Å²	70.5	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-30.9	173.2	0	0	0	0	0	112.2	K456 D457 Q458 A469	K456-A460 HydrophobicContact CB-CB 4.35Å; D457-A460 PolarHBondContact O-N 2.93Å; D457-A460 VanDerWaalsContact OD1-CB 3.3Å; D457-A460 WeakPolarHBondContact OD1-CB 3.43Å; D457-A460 PolarHBondContact OD1-N 3.14Å; Q458-A460 VanDerWaalsContact C-N 3.33Å; Q458-A460 PolarHBondContact O-N 2.94Å; A460-A469 HydrophobicContact CB-CB 3.91Å; A460-A469 WeakPolarHBondContact O-CB 3.49Å
461	S	78.4	Confident	74.9	Confident	14 Å²	14	71.7 Å²	71.7	10%	0.098	37%	0.373	C	S	.	.	H	α-helix	trans	-79.8	-26.1	-178.7	87.6	0	0	0	0	113.6	F444 Y455 D457 Q458 K459	F444-S461 WeakPolarHBondContact CD1-OG 3.41Å; F444-S461 WeakPolarHBondContact CE1-OG 3.29Å; Y455-S461 VanDerWaalsContact CD2-CB 3.47Å; D457-S461 PolarHBondContact O-N 3.16Å; Q458-S461 WeakPolarHBondContact O-CA 3.48Å; Q458-S461 WeakPolarHBondContact O-CB 3.36Å; Q458-S461 PolarHBondContact O-N 3.38Å; Q458-S461 PolarHBondContact O-OG 3.26Å; K459-S461 PolarHBondContact O-N 3.24Å
462	E	75.2	Confident	74.6	Confident	96 Å²	96	74.3 Å²	74.3	45%	0.449	39%	0.387	S	S	.	.	S	Bend	trans	-86.2	-7.8	179.5	-67.3	160.9	160.5	0	0	113.8	Q458 K459 Q464	Q458-E462 HydrophobicContact CG-CG 4.43Å; Q458-E462 WeakPolarHBondContact CG-OE1 3.42Å; Q458-E462 PolarHBondContact NE2-OE1 2.84Å; Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 3.43Å; Q458-E462 VanDerWaalsContact O-N 3.11Å; K459-E462 PolarHBondContact O-N 3Å; E462-Q464 PolarHBondContact O-N 3.24Å
463	K	65.3	Low	74.2	Confident	85 Å²	85	75.4 Å²	75.4	37%	0.37	40%	0.398	S	S	.	.			trans	-67.7	98.5	-177.5	-84.1	-175.8	177.6	-154.5	0	113	K459	K459-K463 WeakPolarHBondContact O-CG 3.39Å
464	Q	53.9	Low	74.1	Confident	184 Å²	184	78.1 Å²	78.1	86%	0.86	42%	0.416	S	S	*	.			trans	-77.7	157.7	174	-53.5	-168.2	17.5	0	0	112.7	E462	E462-Q464 PolarHBondContact O-N 3.24Å
465	G	49.6	Very low	73.9	Confident	58 Å²	58	78.3 Å²	78.3	60%	0.598	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	79.7	-155.6	173.2	0	0	0	0	0	115	Q467 Y468	G465-Q467 PolarHBondContact O-N 3.41Å; G465-Y468 PolarHBondContact O-N 2.66Å
466	N	43.8	Very low	73.9	Confident	154 Å²	154	80.5 Å²	80.5	82%	0.824	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-67.3	-4.7	-172.8	-70.3	-4.1	0	0	0	114.3
467	Q	52.9	Low	74	Confident	106 Å²	106	73.6 Å²	73.6	50%	0.495	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-104.3	19.4	177.2	-59.1	-168.7	18.7	0	0	113.7	G465 A469	G465-Q467 PolarHBondContact O-N 3.41Å; Q467-A469 PolarHBondContact O-N 3.16Å; Q467-A469 VanDerWaalsContact O-N 3.12Å
468	Y	53.2	Low	73.9	Confident	126 Å²	126	78.3 Å²	78.3	49%	0.494	41%	0.414	S	S	.	.			trans	-51.2	117	177.4	177.4	-104	0	0	0	111.8	Y455 G465 A470	Y455-Y468 HydrophobicContact CE1-CE2 4.22Å; Y455-Y468 PolarHBondContact OH-OH 2.83Å; Y455-Y468 VanDerWaalsContact OH-OH 3.07Å; G465-Y468 PolarHBondContact O-N 2.66Å; Y468-A470 PolarHBondContact O-N 2.96Å
469	A	61.5	Low	73.7	Confident	33 Å²	33	75.5 Å²	75.5	27%	0.273	41%	0.408	S	S	.	.			trans	-76.2	115.4	174.5	0	0	0	0	0	108.8	A460 Q467	A460-A469 HydrophobicContact CB-CB 3.91Å; A460-A469 WeakPolarHBondContact O-CB 3.49Å; Q467-A469 PolarHBondContact O-N 3.16Å; Q467-A469 VanDerWaalsContact O-N 3.12Å
470	A	72.2	Confident	74	Confident	81 Å²	81	68.5 Å²	68.5	67%	0.669	38%	0.38	S	S	*	.			trans	-55.8	134	178.7	0	0	0	0	0	110.8	Y468	Y468-A470 PolarHBondContact O-N 2.96Å
471	P	81.4	Confident	74.4	Confident	36 Å²	36	74.7 Å²	74.7	23%	0.234	41%	0.405	C	S	.	.			trans	-63.3	144.6	-179.3	25.3	-33.8	0	0	0	110.6	I453 F454 Y455 G473 V474	I453-P471 HydrophobicContact CG2-CB 3.7Å; I453-P471 HydrophobicContact CG2-CG 4.27Å; F454-P471 CarbonylContact O-C 3.57Å; F454-P471 WeakPolarHBondContact O-CA 3.49Å; F454-P471 WeakPolarHBondContact O-CB 3.26Å; Y455-P471 HydrophobicContact CD1-CB 4.21Å; Y455-P471 HydrophobicContact CE1-CB 3.97Å; P471-G473 PolarHBondContact O-N 3.1Å; P471-V474 HydrophobicContact CG-CG2 4.18Å
472	L	84.8	Confident	75.1	Confident	86 Å²	86	75.9 Å²	75.9	45%	0.45	41%	0.41	S	S	.	.	S	Bend	trans	-62.2	-7.7	173.6	-58.3	-175.6	0	0	0	113.3	F441 C443 F454 K456	F441-L472 HydrophobicContact CE2-CD1 4.02Å; C443-L472 HydrophobicContact CB-CD1 4.41Å; F454-L472 HydrophobicContact CB-CB 4.18Å; F454-L472 PolarHBondContact O-N 2.86Å; K456-L472 HydrophobicContact CB-CD1 4.39Å
473	G	84.4	Confident	75.9	Confident	22 Å²	22	77.4 Å²	77.4	23%	0.227	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	164.5	170.4	0	0	0	0	0	111.9	F454 P471	F454-G473 WeakPolarHBondContact CD2-O 3.27Å; F454-G473 PolarHBondContact N-O 3.45Å; P471-G473 PolarHBondContact O-N 3.1Å
474	V	89.5	Confident	77.1	Confident	82 Å²	82	76 Å²	76	50%	0.497	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.8	170.1	-179.6	0	0	0	0	107.4	H451 I453 P471	H451-V474 HydrophobicContact CB-CG1 3.98Å; I453-V474 HydrophobicContact CG1-CG1 4.18Å; I453-V474 HydrophobicContact CG1-CG2 4.24Å; I453-V474 HydrophobicContact CG2-CG2 4.18Å; P471-V474 HydrophobicContact CG-CG2 4.18Å
475	C	88.6	Confident	78.6	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.027	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.8	169.1	-67.6	0	0	0	0	109.2	H451 M452 F454 L477 L500 Y506	H451-C475 CarbonylContact C-O 3.59Å; H451-C475 WeakPolarHBondContact CA-O 3.46Å; H451-C475 WeakPolarHBondContact CB-O 3.34Å; M452-C475 HydrophobicContact CB-CB 4.44Å; M452-C475 PolarHBondContact N-O 2.92Å; M452-C475 PolarHBondContact O-N 3.09Å; F454-C475 HydrophobicContact CE2-CB 4.49Å; F454-C475 WeakPolarHBondContact CE2-SG 3.41Å; F454-C475 VanDerWaalsContact CZ-SG 3.59Å; C475-L477 HydrophobicContact CB-CD2 4.5Å; C475-L500 HydrophobicContact CB-CD1 3.89Å; C475-L500 HydrophobicContact CB-CD2 4.25Å; C475-Y506 WeakPolarHBondContact SG-CE2 3.44Å
476	D	88	Confident	79.6	Confident	63 Å²	63	72.2 Å²	72.2	34%	0.337	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125	162.1	-167.4	-21.2	0	0	0	107.9	R478	D476-R478 WeakPolarHBondContact OD1-CB 3.37Å; D476-R478 VanDerWaalsContact OD1-CG 3.29Å; D476-R478 WeakPolarHBondContact OD1-CG 3.45Å; D476-R478 IonicContact OD1-CZ 3.27Å; D476-R478 PolarHBondContact OD1-N 3.15Å; D476-R478 VanDerWaalsContact OD1-N 3.14Å; D476-R478 IonicContact OD1-NE 2.77Å; D476-R478 PolarHBondContact OD1-NE 2.95Å; D476-R478 IonicContact OD1-NH2 3.89Å; D476-R478 IonicContact OD2-CZ 3.74Å; D476-R478 VanDerWaalsContact OD2-CZ 3.32Å; D476-R478 IonicContact OD2-NE 2.83Å; D476-R478 PolarHBondContact OD2-NE 3.26Å; D476-R478 IonicContact OD2-NH2 2.65Å; D476-R478 PolarHBondContact OD2-NH2 3.39Å
477	L	90.4	Very high	80.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.36	C	S	.	.			trans	-90.6	-8.5	-175.6	-61.7	176.5	0	0	0	112.4	L447 A450 M452 C475 G479 A480 L498 L523 I526 L527 M530	L447-L477 HydrophobicContact CD1-CD1 3.77Å; A450-L477 PolarHBondContact O-N 3.19Å; M452-L477 HydrophobicContact CB-CD1 4.34Å; M452-L477 HydrophobicContact CB-CD2 4.12Å; M452-L477 HydrophobicContact CB-CG 4.48Å; C475-L477 HydrophobicContact CB-CD2 4.5Å; L477-G479 PolarHBondContact O-N 3.01Å; L477-G479 VanDerWaalsContact O-N 3.09Å; L477-A480 VanDerWaalsContact O-CB 3.29Å; L477-A480 WeakPolarHBondContact O-CB 3.39Å; L477-A480 PolarHBondContact O-N 3.49Å; L477-L498 HydrophobicContact CD2-CD2 3.86Å; L477-L523 HydrophobicContact CD1-CD1 3.72Å; L477-L523 HydrophobicContact CD2-CD1 4.06Å; L477-I526 HydrophobicContact CD1-CG2 4.29Å; L477-L527 HydrophobicContact CB-CD2 4.23Å; L477-L527 VanDerWaalsContact O-CD2 3.28Å; L477-L527 WeakPolarHBondContact O-CD2 3.39Å; L477-M530 VanDerWaalsContact C-CE 3.48Å; L477-M530 HydrophobicContact CB-CE 3.63Å; L477-M530 HydrophobicContact CB-SD 4.45Å; L477-M530 VanDerWaalsContact O-CE 3.23Å; L477-M530 WeakPolarHBondContact O-CE 3.3Å
478	R	83.8	Confident	80.5	Confident	156 Å²	156	71.5 Å²	71.5	59%	0.589	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	110.9	-174.6	-65.6	177.5	-64.8	156.5	1.6	111.4	D476 A480 V501 M530	D476-R478 WeakPolarHBondContact OD1-CB 3.37Å; D476-R478 VanDerWaalsContact OD1-CG 3.29Å; D476-R478 WeakPolarHBondContact OD1-CG 3.45Å; D476-R478 IonicContact OD1-CZ 3.27Å; D476-R478 PolarHBondContact OD1-N 3.15Å; D476-R478 VanDerWaalsContact OD1-N 3.14Å; D476-R478 IonicContact OD1-NE 2.77Å; D476-R478 PolarHBondContact OD1-NE 2.95Å; D476-R478 IonicContact OD1-NH2 3.89Å; D476-R478 IonicContact OD2-CZ 3.74Å; D476-R478 VanDerWaalsContact OD2-CZ 3.32Å; D476-R478 IonicContact OD2-NE 2.83Å; D476-R478 PolarHBondContact OD2-NE 3.26Å; D476-R478 IonicContact OD2-NH2 2.65Å; D476-R478 PolarHBondContact OD2-NH2 3.39Å; R478-A480 VanDerWaalsContact C-N 3.3Å; R478-V501 WeakPolarHBondContact O-CG2 3.42Å; R478-M530 HydrophobicContact CB-SD 4.41Å; R478-M530 HydrophobicContact CG-SD 3.64Å
479	G	84.1	Confident	80.5	Confident	29 Å²	29	75 Å²	75	30%	0.299	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	9.4	-176.1	0	0	0	0	0	114.8	L477 V501	L477-G479 PolarHBondContact O-N 3.01Å; L477-G479 VanDerWaalsContact O-N 3.09Å; G479-V501 VanDerWaalsContact C-CG2 3.48Å; G479-V501 WeakPolarHBondContact O-CG2 3.46Å
480	A	90.5	Very high	80.3	Confident	12 Å²	12	74.9 Å²	74.9	10%	0.099	39%	0.393	C	S	.	.			trans	-68.5	160.3	170.2	0	0	0	0	0	111.3	L477 R478 L498 E499 L500 L527	L477-A480 VanDerWaalsContact O-CB 3.29Å; L477-A480 WeakPolarHBondContact O-CB 3.39Å; L477-A480 PolarHBondContact O-N 3.49Å; R478-A480 VanDerWaalsContact C-N 3.3Å; A480-L498 HydrophobicContact CB-CD1 3.95Å; A480-E499 CarbonylContact C-O 3.54Å; A480-E499 VanDerWaalsContact CA-O 3.27Å; A480-E499 WeakPolarHBondContact CA-O 3.4Å; A480-E499 WeakPolarHBondContact CB-O 3.21Å; A480-L500 HydrophobicContact CB-CD2 3.7Å; A480-L527 HydrophobicContact CB-CD2 3.98Å
481	K	90.9	Very high	79.6	Confident	141 Å²	141	81.4 Å²	81.4	61%	0.613	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.7	179.3	-61.3	174.7	-174	168.9	0	109.8	E499	K481-E499 PolarHBondContact N-O 3.09Å; K481-E499 PolarHBondContact O-N 3.43Å
482	I	93.5	Very high	78.8	Confident	40 Å²	40	84.1 Å²	84.1	21%	0.205	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.7	172	-160.2	179.2	0	0	0	109.8	F496 Q497 F520 L523 K524 L527	I482-F496 HydrophobicContact CD1-CD2 4.06Å; I482-F496 HydrophobicContact CD1-CE2 4.32Å; I482-F496 HydrophobicContact CG1-CD2 4.05Å; I482-Q497 CarbonylContact C-O 3.51Å; I482-Q497 WeakPolarHBondContact CA-O 3.46Å; I482-F520 HydrophobicContact CD1-CD2 3.32Å; I482-F520 HydrophobicContact CD1-CE2 3.64Å; I482-F520 HydrophobicContact CD1-CG 4.15Å; I482-F520 HydrophobicContact CG1-CD2 3.85Å; I482-F520 HydrophobicContact CG1-CE2 3.75Å; I482-F520 HydrophobicContact CG2-CE2 4.37Å; I482-L523 HydrophobicContact CD1-CB 3.96Å; I482-L523 HydrophobicContact CD1-CD2 3.74Å; I482-L523 HydrophobicContact CD1-CG 3.85Å; I482-L523 HydrophobicContact CG1-CD2 4.44Å; I482-K524 HydrophobicContact CG2-CB 4.38Å; I482-L527 HydrophobicContact CB-CD1 3.69Å; I482-L527 HydrophobicContact CG2-CD1 3.84Å
483	K	91.5	Very high	77.7	Confident	128 Å²	128	88 Å²	88	56%	0.557	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.1	173.5	170.5	169.4	-178.6	-176.7	0	110.2	L485 F496 Q497	K483-L485 HydrophobicContact CD-CD2 4.34Å; K483-L485 HydrophobicContact CG-CD2 4.47Å; K483-F496 WeakPolarHBondContact O-CA 3.42Å; K483-Q497 PolarHBondContact N-O 3.4Å; K483-Q497 PolarHBondContact O-N 3.32Å
484	W	90.9	Very high	77.2	Confident	54 Å²	54	91.4 Å²	91.4	21%	0.205	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.2	167.2	-168.5	-97.2	0	0	0	110.7	D486 R494 F496 I516 M517 F520	W484-D486 VanDerWaalsContact CD1-CG 3.49Å; W484-D486 PolarHBondContact NE1-OD1 2.61Å; W484-D486 PolarHBondContact NE1-OD2 3.35Å; W484-R494 HydrophobicContact CH2-CB 4.01Å; W484-R494 HydrophobicContact CZ2-CB 3.79Å; W484-R494 HydrophobicContact CZ2-CG 4.01Å; W484-F496 HydrophobicContact CE3-CB 4.16Å; W484-I516 HydrophobicContact CH2-CG2 4.37Å; W484-M517 HydrophobicContact CH2-CG 4.09Å; W484-F520 HydrophobicContact CB-CE2 3.94Å; W484-F520 HydrophobicContact CB-CZ 3.91Å; W484-F520 HydrophobicContact CE3-CB 4.13Å; W484-F520 HydrophobicContact CE3-CD1 4.08Å; W484-F520 AromaticContact CE3-CD2 3.74Å; W484-F520 HydrophobicContact CE3-CD2 3.74Å; W484-F520 HydrophobicContact CE3-CE1 4.42Å; W484-F520 HydrophobicContact CE3-CE2 4.11Å; W484-F520 AromaticContact CE3-CG 3.72Å; W484-F520 HydrophobicContact CE3-CG 3.72Å; W484-F520 HydrophobicContact CE3-CZ 4.44Å; W484-F520 HydrophobicContact CZ3-CB 3.95Å; W484-F520 HydrophobicContact CZ3-CD2 4.4Å; W484-F520 HydrophobicContact CZ3-CG 4.06Å
485	L	85.2	Confident	77.1	Confident	42 Å²	42	88.1 Å²	88.1	22%	0.22	41%	0.411	C	S	.	.			trans	-126.5	87.6	-177.7	-73	173.1	0	0	0	110.5	K483 D487 L495 Q497 L507	K483-L485 HydrophobicContact CD-CD2 4.34Å; K483-L485 HydrophobicContact CG-CD2 4.47Å; L485-D487 PolarHBondContact O-N 3.02Å; L485-L495 HydrophobicContact CB-CB 4.15Å; L485-L495 WeakPolarHBondContact CB-O 3.37Å; L485-L495 PolarHBondContact N-O 2.96Å; L485-Q497 HydrophobicContact CD1-CB 3.8Å; L485-Q497 HydrophobicContact CG-CB 4.38Å; L485-L507 HydrophobicContact CD1-CD2 3.5Å
486	D	71.3	Confident	77.3	Confident	121 Å²	121	87.9 Å²	87.9	65%	0.647	41%	0.41	S	S	*	.			trans	-72.1	117.4	156.4	-53.9	-58.6	0	0	0	108	W484	W484-D486 VanDerWaalsContact CD1-CG 3.49Å; W484-D486 PolarHBondContact NE1-OD1 2.61Å; W484-D486 PolarHBondContact NE1-OD2 3.35Å
487	D	59.1	Low	77.6	Confident	78 Å²	78	86.6 Å²	86.6	42%	0.417	40%	0.401	S	S	.	.			trans	-135	95.5	176	178.1	5.8	0	0	0	108	L485 K489 S490	L485-D487 PolarHBondContact O-N 3.02Å; D487-K489 PolarHBondContact O-N 3.13Å; D487-K489 WeakPolarHBondContact OD1-CB 3.44Å; D487-K489 PolarHBondContact OD1-N 3.22Å; D487-S490 VanDerWaalsContact O-CB 3.3Å; D487-S490 WeakPolarHBondContact O-CB 3.1Å; D487-S490 PolarHBondContact O-N 2.96Å
488	D	55.4	Low	77.8	Confident	168 Å²	168	86.6 Å²	86.6	90%	0.898	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.9	179.1	-64.8	-57.1	0	0	0	113.6
489	K	54.3	Low	78.2	Confident	200 Å²	200	82.3 Å²	82.3	87%	0.87	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-6.5	-180	-52.6	-179.1	-176.5	178.9	0	112	D487	D487-K489 PolarHBondContact O-N 3.13Å; D487-K489 WeakPolarHBondContact OD1-CB 3.44Å; D487-K489 PolarHBondContact OD1-N 3.22Å
490	S	56.8	Low	78.6	Confident	29 Å²	29	81.8 Å²	81.8	20%	0.203	38%	0.378	C	S	.	.	S	Bend	trans	-86.3	132.1	173.5	173.4	0	0	0	0	111.3	D487 R492	D487-S490 VanDerWaalsContact O-CB 3.3Å; D487-S490 WeakPolarHBondContact O-CB 3.1Å; D487-S490 PolarHBondContact O-N 2.96Å; S490-R492 WeakPolarHBondContact CB-O 3.43Å; S490-R492 PolarHBondContact O-N 2.9Å; S490-R492 VanDerWaalsContact O-N 3.11Å; S490-R492 PolarHBondContact OG-N 2.98Å; S490-R492 PolarHBondContact OG-O 2.82Å
491	K	57.9	Low	78.5	Confident	219 Å²	219	86.3 Å²	86.3	95%	0.952	41%	0.405	S	S	*	.	S	Bend	trans	-63.4	-11.3	168.4	-72	-162	174.5	-163.7	0	113.8
492	R	63	Low	78.3	Confident	93 Å²	93	84.2 Å²	84.2	35%	0.351	40%	0.4	S	S	.	.	S	Bend	trans	-111.5	105.1	172.2	-68.1	178.2	176.9	166.8	-2.2	107.8	S490 R494 L495 H509	S490-R492 WeakPolarHBondContact CB-O 3.43Å; S490-R492 PolarHBondContact O-N 2.9Å; S490-R492 VanDerWaalsContact O-N 3.11Å; S490-R492 PolarHBondContact OG-N 2.98Å; S490-R492 PolarHBondContact OG-O 2.82Å; R492-R494 VanDerWaalsContact C-N 3.32Å; R492-R494 PolarHBondContact O-N 2.94Å; R492-L495 HydrophobicContact CB-CD1 4.31Å; R492-L495 HydrophobicContact CB-CD2 4.39Å; R492-L495 HydrophobicContact CB-CG 4.32Å; R492-L495 WeakPolarHBondContact O-CD1 3.38Å; R492-H509 PolarHBondContact NE-NE2 3.28Å
493	K	62.6	Low	78.1	Confident	167 Å²	167	83.3 Å²	83.3	73%	0.726	40%	0.401	S	S	*	.	S	Bend	trans	-77.1	-10.4	-170.9	-67.6	-170.4	172.6	-169.6	0	115
494	R	73.4	Confident	78.1	Confident	94 Å²	94	77.4 Å²	77.4	36%	0.355	38%	0.375	S	S	.	.			trans	-133.3	114.6	179.1	-57.4	-167.4	-156.1	-93.6	13	110	W484 R492 D513 I516	W484-R494 HydrophobicContact CH2-CB 4.01Å; W484-R494 HydrophobicContact CZ2-CB 3.79Å; W484-R494 HydrophobicContact CZ2-CG 4.01Å; R492-R494 VanDerWaalsContact C-N 3.32Å; R492-R494 PolarHBondContact O-N 2.94Å; R494-D513 WeakPolarHBondContact CD-OD1 3.26Å; R494-D513 IonicContact CZ-OD1 3.32Å; R494-D513 IonicContact CZ-OD2 3.2Å; R494-D513 IonicContact NE-OD1 3.82Å; R494-D513 PolarHBondContact NE-OD1 3.23Å; R494-D513 IonicContact NE-OD2 2.87Å; R494-D513 PolarHBondContact NE-OD2 3.37Å; R494-D513 IonicContact NH2-OD2 2.71Å; R494-D513 PolarHBondContact NH2-OD2 3.05Å; R494-I516 HydrophobicContact CB-CG2 4.14Å
495	L	87.7	Confident	78.3	Confident	12 Å²	12	74.8 Å²	74.8	6%	0.063	37%	0.366	C	S	.	.			trans	-144	140.6	-176.2	-71.2	161.9	0	0	0	107.8	W440 L485 R492 F508 H509	W440-L495 HydrophobicContact CH2-CD2 3.68Å; W440-L495 HydrophobicContact CZ2-CD2 4.18Å; L485-L495 HydrophobicContact CB-CB 4.15Å; L485-L495 WeakPolarHBondContact CB-O 3.37Å; L485-L495 PolarHBondContact N-O 2.96Å; R492-L495 HydrophobicContact CB-CD1 4.31Å; R492-L495 HydrophobicContact CB-CD2 4.39Å; R492-L495 HydrophobicContact CB-CG 4.32Å; R492-L495 WeakPolarHBondContact O-CD1 3.38Å; L495-F508 WeakPolarHBondContact CA-O 3.31Å; L495-H509 HydrophobicContact CD2-CB 3.87Å
496	F	92.8	Very high	78.7	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.6	162.1	73.6	-105.2	0	0	0	111.7	L424 I482 K483 W484 L507 F508 I516 W519 F520 L523	L424-F496 HydrophobicContact CD2-CZ 4.42Å; I482-F496 HydrophobicContact CD1-CD2 4.06Å; I482-F496 HydrophobicContact CD1-CE2 4.32Å; I482-F496 HydrophobicContact CG1-CD2 4.05Å; K483-F496 WeakPolarHBondContact O-CA 3.42Å; W484-F496 HydrophobicContact CE3-CB 4.16Å; F496-L507 WeakPolarHBondContact O-CA 3.34Å; F496-F508 HydrophobicContact CD1-CB 4.16Å; F496-F508 HydrophobicContact CD2-CB 4.15Å; F496-F508 AromaticContact CD2-CD2 3.95Å; F496-F508 HydrophobicContact CD2-CD2 3.95Å; F496-F508 HydrophobicContact CD2-CG 4.47Å; F496-F508 HydrophobicContact CE1-CB 3.84Å; F496-F508 HydrophobicContact CE2-CB 3.81Å; F496-F508 AromaticContact CE2-CD2 3.39Å; F496-F508 HydrophobicContact CE2-CD2 3.39Å; F496-F508 HydrophobicContact CE2-CE2 4.22Å; F496-F508 AromaticContact CE2-CG 3.84Å; F496-F508 HydrophobicContact CE2-CG 3.84Å; F496-F508 HydrophobicContact CG-CB 4.31Å; F496-F508 HydrophobicContact CZ-CB 3.65Å; F496-F508 AromaticContact CZ-CD2 3.92Å; F496-F508 HydrophobicContact CZ-CD2 3.92Å; F496-F508 AromaticContact CZ-CG 3.9Å; F496-F508 HydrophobicContact CZ-CG 3.9Å; F496-F508 PolarHBondContact N-O 2.78Å; F496-F508 PolarHBondContact O-N 2.97Å; F496-I516 HydrophobicContact CD1-CD1 3.67Å; F496-I516 HydrophobicContact CD1-CG1 4.34Å; F496-I516 HydrophobicContact CE1-CD1 3.6Å; F496-W519 HydrophobicContact CE1-CB 4.08Å; F496-F520 HydrophobicContact CB-CD2 3.65Å; F496-F520 HydrophobicContact CB-CE2 4.23Å; F496-F520 HydrophobicContact CD1-CB 3.95Å; F496-F520 HydrophobicContact CD1-CD2 4.26Å; F496-F520 HydrophobicContact CE1-CB 4.32Å; F496-F520 AromaticContact CG-CD2 3.97Å; F496-F520 HydrophobicContact CG-CD2 3.97Å; F496-L523 HydrophobicContact CE2-CD2 3.72Å; F496-L523 HydrophobicContact CZ-CD2 4.17Å
497	Q	93.6	Very high	79.8	Confident	35 Å²	35	68.5 Å²	68.5	16%	0.164	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.4	172	172.6	173	-35.1	0	0	109.7	F429 I482 K483 L485 E499 Y506 L507	F429-Q497 HydrophobicContact CE1-CG 4.29Å; F429-Q497 HydrophobicContact CZ-CG 4.26Å; I482-Q497 CarbonylContact C-O 3.51Å; I482-Q497 WeakPolarHBondContact CA-O 3.46Å; K483-Q497 PolarHBondContact N-O 3.4Å; K483-Q497 PolarHBondContact O-N 3.32Å; L485-Q497 HydrophobicContact CD1-CB 3.8Å; L485-Q497 HydrophobicContact CG-CB 4.38Å; Q497-E499 PolarHBondContact NE2-OE2 3.12Å; Q497-E499 VanDerWaalsContact NE2-OE2 3.1Å; Q497-Y506 WeakPolarHBondContact CA-O 3.45Å; Q497-L507 HydrophobicContact CB-CD2 4.01Å
498	L	94.6	Very high	81.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.8	163.3	179.9	66.3	0	0	0	108.7	M452 L477 A480 L500 A505 Y506 F508 L523 L527	M452-L498 HydrophobicContact CE-CD2 3.34Å; L477-L498 HydrophobicContact CD2-CD2 3.86Å; A480-L498 HydrophobicContact CB-CD1 3.95Å; L498-L500 HydrophobicContact CD1-CD2 4.42Å; L498-L500 HydrophobicContact CD2-CD2 3.99Å; L498-L500 HydrophobicContact CG-CD2 3.95Å; L498-A505 WeakPolarHBondContact O-CA 3.46Å; L498-Y506 PolarHBondContact N-O 3.1Å; L498-Y506 PolarHBondContact O-N 3.5Å; L498-F508 HydrophobicContact CB-CE2 4.07Å; L498-F508 HydrophobicContact CD2-CE2 4.47Å; L498-L523 HydrophobicContact CD1-CD2 4.31Å; L498-L523 HydrophobicContact CD2-CD2 4.36Å; L498-L527 HydrophobicContact CD1-CD1 4.3Å
499	E	93	Very high	83.1	Confident	66 Å²	66	58.1 Å²	58.1	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	178.4	-175	178.8	129.7	0	0	109.3	A480 K481 Q497	A480-E499 CarbonylContact C-O 3.54Å; A480-E499 VanDerWaalsContact CA-O 3.27Å; A480-E499 WeakPolarHBondContact CA-O 3.4Å; A480-E499 WeakPolarHBondContact CB-O 3.21Å; K481-E499 PolarHBondContact N-O 3.09Å; K481-E499 PolarHBondContact O-N 3.43Å; Q497-E499 PolarHBondContact NE2-OE2 3.12Å; Q497-E499 VanDerWaalsContact NE2-OE2 3.1Å
500	L	92.6	Very high	84.8	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.094	24%	0.24	C	C	.	.			trans	-102.7	161.4	-174.7	-55.6	-175.9	0	0	0	111.6	C475 A480 L498 D502 G503 T504 Y506	C475-L500 HydrophobicContact CB-CD1 3.89Å; C475-L500 HydrophobicContact CB-CD2 4.25Å; A480-L500 HydrophobicContact CB-CD2 3.7Å; L498-L500 HydrophobicContact CD1-CD2 4.42Å; L498-L500 HydrophobicContact CD2-CD2 3.99Å; L498-L500 HydrophobicContact CG-CD2 3.95Å; L500-D502 WeakPolarHBondContact CB-OD1 3.3Å; L500-D502 PolarHBondContact O-N 3.3Å; L500-D502 VanDerWaalsContact O-N 3.16Å; L500-G503 PolarHBondContact O-N 2.94Å; L500-T504 HydrophobicContact CD1-CG2 4.2Å; L500-T504 PolarHBondContact N-O 2.86Å; L500-Y506 HydrophobicContact CD1-CE2 4.1Å
501	V	89	Confident	86.1	Confident	108 Å²	108	57.1 Å²	57.1	66%	0.655	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.9	-177.7	-177.3	0	0	0	0	113.5	R478 G479 G503	R478-V501 WeakPolarHBondContact O-CG2 3.42Å; G479-V501 VanDerWaalsContact C-CG2 3.48Å; G479-V501 WeakPolarHBondContact O-CG2 3.46Å; V501-G503 VanDerWaalsContact C-N 3.27Å; V501-G503 PolarHBondContact O-N 3.36Å
502	D	87	Confident	87.4	Confident	96 Å²	96	50 Å²	50	51%	0.513	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3	174	72.9	-28.1	0	0	0	113.7	G432 L500 T504	G432-D502 WeakPolarHBondContact CA-O 3.45Å; L500-D502 WeakPolarHBondContact CB-OD1 3.3Å; L500-D502 PolarHBondContact O-N 3.3Å; L500-D502 VanDerWaalsContact O-N 3.16Å; D502-T504 VanDerWaalsContact C-N 3.34Å; D502-T504 WeakPolarHBondContact OD1-CB 3.45Å; D502-T504 PolarHBondContact OD1-N 3.45Å; D502-T504 PolarHBondContact OD1-OG1 3.19Å; D502-T504 WeakPolarHBondContact OD2-CB 3.42Å; D502-T504 PolarHBondContact OD2-OG1 3.32Å
503	G	87.6	Confident	88.5	Confident	22 Å²	22	49.2 Å²	49.2	23%	0.227	25%	0.247	C	C	.	.	S	Bend	trans	79.9	11.3	-173.2	0	0	0	0	0	114.2	G433 L500 V501	G433-G503 WeakPolarHBondContact CA-O 3.5Å; G433-G503 PolarHBondContact N-O 3.19Å; L500-G503 PolarHBondContact O-N 2.94Å; V501-G503 VanDerWaalsContact C-N 3.27Å; V501-G503 PolarHBondContact O-N 3.36Å
504	T	93.1	Very high	89.7	Confident	3 Å²	3	44 Å²	44	2%	0.018	24%	0.235	C	C	.	.			trans	-75.4	138.3	167.1	-71.1	0	0	0	0	110	K428 M430 L500 D502 Y506	K428-T504 HydrophobicContact CD-CG2 4.44Å; K428-T504 VanDerWaalsContact CE-CG2 3.4Å; K428-T504 HydrophobicContact CG-CG2 4.41Å; M430-T504 WeakPolarHBondContact O-CA 3.46Å; L500-T504 HydrophobicContact CD1-CG2 4.2Å; L500-T504 PolarHBondContact N-O 2.86Å; D502-T504 VanDerWaalsContact C-N 3.34Å; D502-T504 WeakPolarHBondContact OD1-CB 3.45Å; D502-T504 PolarHBondContact OD1-N 3.45Å; D502-T504 PolarHBondContact OD1-OG1 3.19Å; D502-T504 WeakPolarHBondContact OD2-CB 3.42Å; D502-T504 PolarHBondContact OD2-OG1 3.32Å; T504-Y506 HydrophobicContact CG2-CD2 4.05Å; T504-Y506 HydrophobicContact CG2-CE2 3.34Å
505	A	93.4	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.7	175.9	0	0	0	0	0	113.7	F429 M430 L498	F429-A505 HydrophobicContact CD1-CB 4.16Å; F429-A505 WeakPolarHBondContact CD1-O 3.46Å; F429-A505 HydrophobicContact CE1-CB 3.5Å; F429-A505 VanDerWaalsContact CE1-CB 3.5Å; F429-A505 HydrophobicContact CE2-CB 4.29Å; F429-A505 HydrophobicContact CZ-CB 3.58Å; F429-A505 PolarHBondContact N-O 3.35Å; M430-A505 HydrophobicContact CB-CB 3.96Å; M430-A505 HydrophobicContact CE-CB 3.51Å; M430-A505 HydrophobicContact CG-CB 4.22Å; M430-A505 PolarHBondContact N-O 3.06Å; M430-A505 PolarHBondContact O-N 3.08Å; L498-A505 WeakPolarHBondContact O-CA 3.46Å
506	Y	94.6	Very high	90.7	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.078	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.1	-178.5	-62.4	-84.8	0	0	0	111.4	R426 C427 K428 C475 Q497 L498 L500 T504 F508	R426-Y506 HydrophobicContact CG-CD1 3.84Å; C427-Y506 CarbonylContact O-C 3.57Å; C427-Y506 WeakPolarHBondContact O-CA 3.5Å; K428-Y506 HydrophobicContact CB-CD1 3.77Å; K428-Y506 HydrophobicContact CB-CE1 3.62Å; K428-Y506 HydrophobicContact CD-CE1 4.04Å; K428-Y506 HydrophobicContact CG-CD1 4Å; K428-Y506 HydrophobicContact CG-CE1 3.61Å; C475-Y506 WeakPolarHBondContact SG-CE2 3.44Å; Q497-Y506 WeakPolarHBondContact CA-O 3.45Å; L498-Y506 PolarHBondContact N-O 3.1Å; L498-Y506 PolarHBondContact O-N 3.5Å; L500-Y506 HydrophobicContact CD1-CE2 4.1Å; T504-Y506 HydrophobicContact CG2-CD2 4.05Å; T504-Y506 HydrophobicContact CG2-CE2 3.34Å; Y506-F508 VanDerWaalsContact CB-CE2 3.47Å; Y506-F508 HydrophobicContact CG-CE2 4.29Å; Y506-F508 HydrophobicContact CG-CZ 4.27Å
507	L	93.4	Very high	90.6	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142	165.1	-61.2	171.9	0	0	0	109.4	R426 C427 F429 W440 L485 F496 Q497	R426-L507 CarbonylContact C-O 3.53Å; R426-L507 WeakPolarHBondContact CA-O 3.48Å; C427-L507 PolarHBondContact N-O 3.42Å; C427-L507 PolarHBondContact O-N 2.92Å; F429-L507 HydrophobicContact CD1-CD1 4.19Å; F429-L507 HydrophobicContact CD1-CD2 4.36Å; F429-L507 HydrophobicContact CD1-CG 3.71Å; F429-L507 HydrophobicContact CE1-CD1 4.49Å; F429-L507 HydrophobicContact CE1-CD2 3.9Å; F429-L507 HydrophobicContact CE1-CG 3.76Å; W440-L507 HydrophobicContact CH2-CB 3.63Å; W440-L507 HydrophobicContact CZ2-CB 4.08Å; W440-L507 HydrophobicContact CZ2-CD1 4.25Å; W440-L507 HydrophobicContact CZ3-CB 4.46Å; L485-L507 HydrophobicContact CD1-CD2 3.5Å; F496-L507 WeakPolarHBondContact O-CA 3.34Å; Q497-L507 HydrophobicContact CB-CD2 4.01Å
508	F	94.2	Very high	90.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.7	-179.5	-67.6	-80.8	0	0	0	112.8	L424 A425 R426 M452 F454 L495 F496 L498 Y506	L424-F508 HydrophobicContact CD2-CB 4.06Å; L424-F508 HydrophobicContact CD2-CD1 3.47Å; L424-F508 VanDerWaalsContact CD2-CD1 3.47Å; L424-F508 HydrophobicContact CD2-CE1 4.18Å; L424-F508 HydrophobicContact CD2-CG 4Å; L424-F508 HydrophobicContact CG-CB 4.36Å; L424-F508 HydrophobicContact CG-CD1 3.92Å; A425-F508 VanDerWaalsContact O-CA 3.31Å; A425-F508 WeakPolarHBondContact O-CA 3.15Å; R426-F508 HydrophobicContact CB-CD1 4.05Å; R426-F508 HydrophobicContact CB-CE1 3.77Å; R426-F508 HydrophobicContact CG-CD1 4.14Å; R426-F508 HydrophobicContact CG-CE1 3.51Å; R426-F508 HydrophobicContact CG-CZ 3.91Å; M452-F508 HydrophobicContact CE-CE1 4.26Å; M452-F508 HydrophobicContact CE-CE2 3.71Å; M452-F508 HydrophobicContact CE-CZ 3.43Å; M452-F508 VanDerWaalsContact CE-CZ 3.43Å; M452-F508 HydrophobicContact SD-CZ 4.39Å; F454-F508 AromaticContact CE1-CE1 3.92Å; F454-F508 HydrophobicContact CE1-CE1 3.92Å; F454-F508 AromaticContact CE1-CZ 3.81Å; F454-F508 HydrophobicContact CE1-CZ 3.81Å; F454-F508 HydrophobicContact CZ-CZ 4.18Å; L495-F508 WeakPolarHBondContact CA-O 3.31Å; F496-F508 HydrophobicContact CD1-CB 4.16Å; F496-F508 HydrophobicContact CD2-CB 4.15Å; F496-F508 AromaticContact CD2-CD2 3.95Å; F496-F508 HydrophobicContact CD2-CD2 3.95Å; F496-F508 HydrophobicContact CD2-CG 4.47Å; F496-F508 HydrophobicContact CE1-CB 3.84Å; F496-F508 HydrophobicContact CE2-CB 3.81Å; F496-F508 AromaticContact CE2-CD2 3.39Å; F496-F508 HydrophobicContact CE2-CD2 3.39Å; F496-F508 HydrophobicContact CE2-CE2 4.22Å; F496-F508 AromaticContact CE2-CG 3.84Å; F496-F508 HydrophobicContact CE2-CG 3.84Å; F496-F508 HydrophobicContact CG-CB 4.31Å; F496-F508 HydrophobicContact CZ-CB 3.65Å; F496-F508 AromaticContact CZ-CD2 3.92Å; F496-F508 HydrophobicContact CZ-CD2 3.92Å; F496-F508 AromaticContact CZ-CG 3.9Å; F496-F508 HydrophobicContact CZ-CG 3.9Å; F496-F508 PolarHBondContact N-O 2.78Å; F496-F508 PolarHBondContact O-N 2.97Å; L498-F508 HydrophobicContact CB-CE2 4.07Å; L498-F508 HydrophobicContact CD2-CE2 4.47Å; Y506-F508 VanDerWaalsContact CB-CE2 3.47Å; Y506-F508 HydrophobicContact CG-CE2 4.29Å; Y506-F508 HydrophobicContact CG-CZ 4.27Å
509	H	91	Very high	90.5	Very high	27 Å²	27	48.7 Å²	48.7	13%	0.125	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.6	177.6	132.2	75.1	0	0	0	110.5	A425 R492 L495	A425-H509 WeakPolarHBondContact CA-O 3.28Å; A425-H509 VanDerWaalsContact CB-O 3.29Å; A425-H509 WeakPolarHBondContact CB-O 3.41Å; A425-H509 PolarHBondContact N-O 2.9Å; A425-H509 PolarHBondContact O-N 3.47Å; R492-H509 PolarHBondContact NE-NE2 3.28Å; L495-H509 HydrophobicContact CD2-CB 3.87Å
510	S	89.1	Confident	90.5	Very high	22 Å²	22	47 Å²	47	15%	0.154	26%	0.256	C	S	.	.			trans	-119.4	161.4	160.1	-168.9	0	0	0	0	108.9	N512 E515	S510-N512 VanDerWaalsContact C-N 3.26Å; S510-E515 PolarHBondContact OG-OE2 3.26Å
511	E	85.1	Confident	90.5	Very high	186 Å²	186	49.7 Å²	49.7	87%	0.869	27%	0.27	S	S	*	.	S	Bend	trans	-75.4	-20.4	173.3	-64.1	179.7	174	0	0	111.7
512	N	85.4	Confident	90.6	Very high	71 Å²	71	45.3 Å²	45.3	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-96	123.6	174.9	-178.6	-4	0	0	0	111	S510 A514 E515 I516	S510-N512 VanDerWaalsContact C-N 3.26Å; N512-A514 PolarHBondContact O-N 2.86Å; N512-A514 PolarHBondContact OD1-N 3.36Å; N512-E515 HydrophobicContact CB-CB 4.1Å; N512-E515 VanDerWaalsContact CB-CD 3.49Å; N512-E515 HydrophobicContact CB-CG 4Å; N512-E515 VanDerWaalsContact CB-OE1 3.3Å; N512-E515 WeakPolarHBondContact CB-OE1 3.36Å; N512-E515 WeakPolarHBondContact ND2-CG 3.34Å; N512-E515 PolarHBondContact ND2-OE1 2.84Å; N512-E515 PolarHBondContact O-N 3.25Å; N512-I516 PolarHBondContact O-N 3.44Å
513	D	85.4	Confident	90.9	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-39.1	179	-86.6	-2.9	0	0	0	112.8	R494 I516 M517	R494-D513 WeakPolarHBondContact CD-OD1 3.26Å; R494-D513 IonicContact CZ-OD1 3.32Å; R494-D513 IonicContact CZ-OD2 3.2Å; R494-D513 IonicContact NE-OD1 3.82Å; R494-D513 PolarHBondContact NE-OD1 3.23Å; R494-D513 IonicContact NE-OD2 2.87Å; R494-D513 PolarHBondContact NE-OD2 3.37Å; R494-D513 IonicContact NH2-OD2 2.71Å; R494-D513 PolarHBondContact NH2-OD2 3.05Å; D513-I516 WeakPolarHBondContact O-CG2 3.46Å; D513-M517 WeakPolarHBondContact O-CE 3.44Å; D513-M517 WeakPolarHBondContact O-CG 3.15Å; D513-M517 PolarHBondContact O-N 3.03Å
514	A	88	Confident	91.1	Very high	58 Å²	58	44.5 Å²	44.5	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-67	-46	-179.4	0	0	0	0	0	111.3	N512 I516 M517 D518	N512-A514 PolarHBondContact O-N 2.86Å; N512-A514 PolarHBondContact OD1-N 3.36Å; A514-I516 PolarHBondContact O-N 3.26Å; A514-M517 PolarHBondContact O-N 3.13Å; A514-D518 VanDerWaalsContact O-CB 3.26Å; A514-D518 WeakPolarHBondContact O-CB 3.34Å; A514-D518 PolarHBondContact O-N 2.93Å
515	E	90.1	Very high	90.9	Very high	74 Å²	74	50.1 Å²	50.1	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-45.4	177.1	-77.5	165	-141.7	0	0	112.5	S510 N512 M517 D518 W519	S510-E515 PolarHBondContact OG-OE2 3.26Å; N512-E515 HydrophobicContact CB-CB 4.1Å; N512-E515 VanDerWaalsContact CB-CD 3.49Å; N512-E515 HydrophobicContact CB-CG 4Å; N512-E515 VanDerWaalsContact CB-OE1 3.3Å; N512-E515 WeakPolarHBondContact CB-OE1 3.36Å; N512-E515 WeakPolarHBondContact ND2-CG 3.34Å; N512-E515 PolarHBondContact ND2-OE1 2.84Å; N512-E515 PolarHBondContact O-N 3.25Å; E515-M517 VanDerWaalsContact C-N 3.31Å; E515-M517 PolarHBondContact O-N 3.25Å; E515-D518 PolarHBondContact O-N 2.96Å; E515-W519 WeakPolarHBondContact O-CB 3.28Å; E515-W519 PolarHBondContact O-N 2.87Å
516	I	91.4	Very high	90.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.5	-27.9	-173.7	-169.3	59.4	0	0	0	112.5	L424 W484 R494 F496 N512 D513 A514 F520	L424-I516 HydrophobicContact CD1-CD1 4.07Å; W484-I516 HydrophobicContact CH2-CG2 4.37Å; R494-I516 HydrophobicContact CB-CG2 4.14Å; F496-I516 HydrophobicContact CD1-CD1 3.67Å; F496-I516 HydrophobicContact CD1-CG1 4.34Å; F496-I516 HydrophobicContact CE1-CD1 3.6Å; N512-I516 PolarHBondContact O-N 3.44Å; D513-I516 WeakPolarHBondContact O-CG2 3.46Å; A514-I516 PolarHBondContact O-N 3.26Å; I516-F520 WeakPolarHBondContact O-CB 3.48Å; I516-F520 PolarHBondContact O-N 3.44Å
517	M	90.7	Very high	90.3	Very high	83 Å²	83	50.9 Å²	50.9	41%	0.409	26%	0.261	S	S	.	.	H	α-helix	trans	-72.5	-48.6	170.6	-65.6	-174.4	-63.3	0	0	110.9	W484 D513 A514 E515 W519 F520 D521	W484-M517 HydrophobicContact CH2-CG 4.09Å; D513-M517 WeakPolarHBondContact O-CE 3.44Å; D513-M517 WeakPolarHBondContact O-CG 3.15Å; D513-M517 PolarHBondContact O-N 3.03Å; A514-M517 PolarHBondContact O-N 3.13Å; E515-M517 VanDerWaalsContact C-N 3.31Å; E515-M517 PolarHBondContact O-N 3.25Å; M517-W519 PolarHBondContact O-N 2.92Å; M517-F520 CarbonylContact O-C 3.54Å; M517-F520 WeakPolarHBondContact O-CA 3.44Å; M517-F520 WeakPolarHBondContact O-CB 3.26Å; M517-F520 PolarHBondContact O-N 2.94Å; M517-D521 PolarHBondContact O-N 3.26Å
518	D	92.3	Very high	89.9	Confident	76 Å²	76	53.8 Å²	53.8	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-41.3	176.7	173.4	5.1	0	0	0	112.4	K420 A514 E515 F520 S522	K420-D518 WeakPolarHBondContact CE-OD1 3.43Å; K420-D518 WeakPolarHBondContact CE-OD2 3.39Å; K420-D518 IonicContact NZ-OD1 2.9Å; K420-D518 PolarHBondContact NZ-OD1 3.5Å; K420-D518 IonicContact NZ-OD2 3.19Å; K420-D518 PolarHBondContact NZ-OD2 3.39Å; A514-D518 VanDerWaalsContact O-CB 3.26Å; A514-D518 WeakPolarHBondContact O-CB 3.34Å; A514-D518 PolarHBondContact O-N 2.93Å; E515-D518 PolarHBondContact O-N 2.96Å; D518-F520 VanDerWaalsContact C-N 3.32Å; D518-F520 PolarHBondContact O-N 3.15Å; D518-S522 WeakPolarHBondContact O-CB 3.43Å; D518-S522 PolarHBondContact O-N 3.2Å; D518-S522 PolarHBondContact O-OG 2.91Å; D518-S522 PolarHBondContact OD1-OG 2.68Å
519	W	94	Very high	89.1	Confident	6 Å²	6	60.3 Å²	60.3	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-34.5	170.1	-89	105.3	0	0	0	113.6	K420 L424 V445 L447 F496 E515 M517 L523	K420-W519 HydrophobicContact CB-CH2 4.3Å; K420-W519 HydrophobicContact CB-CZ3 4.34Å; K420-W519 HydrophobicContact CD-CD2 3.68Å; K420-W519 HydrophobicContact CD-CE3 3.94Å; K420-W519 HydrophobicContact CD-CG 4.04Å; K420-W519 HydrophobicContact CD-CH2 4.44Å; K420-W519 HydrophobicContact CD-CZ2 4.22Å; K420-W519 HydrophobicContact CD-CZ3 4.33Å; K420-W519 HydrophobicContact CG-CD2 4.41Å; K420-W519 HydrophobicContact CG-CH2 4.18Å; K420-W519 HydrophobicContact CG-CZ2 4.07Å; K420-W519 HydrophobicContact CG-CZ3 4.42Å; L424-W519 HydrophobicContact CD1-CG 4.22Å; L424-W519 HydrophobicContact CD2-CD2 4.03Å; L424-W519 HydrophobicContact CD2-CE3 4.17Å; L424-W519 HydrophobicContact CD2-CG 4.29Å; V445-W519 HydrophobicContact CB-CH2 3.71Å; V445-W519 HydrophobicContact CB-CZ2 4.35Å; V445-W519 HydrophobicContact CB-CZ3 4.24Å; V445-W519 HydrophobicContact CG1-CH2 3.81Å; V445-W519 HydrophobicContact CG1-CZ3 3.86Å; L447-W519 HydrophobicContact CB-CZ3 3.95Å; L447-W519 HydrophobicContact CD2-CE3 4.42Å; L447-W519 HydrophobicContact CD2-CZ3 4.3Å; F496-W519 HydrophobicContact CE1-CB 4.08Å; E515-W519 WeakPolarHBondContact O-CB 3.28Å; E515-W519 PolarHBondContact O-N 2.87Å; M517-W519 PolarHBondContact O-N 2.92Å; W519-L523 VanDerWaalsContact O-CB 3.29Å; W519-L523 WeakPolarHBondContact O-CB 3.36Å; W519-L523 PolarHBondContact O-N 3.38Å
520	F	93.3	Very high	88.1	Confident	30 Å²	30	59.9 Å²	59.9	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-73.3	-48	178	172.2	-97.4	0	0	0	111.3	I482 W484 F496 I516 M517 D518 L523 K524	I482-F520 HydrophobicContact CD1-CD2 3.32Å; I482-F520 HydrophobicContact CD1-CE2 3.64Å; I482-F520 HydrophobicContact CD1-CG 4.15Å; I482-F520 HydrophobicContact CG1-CD2 3.85Å; I482-F520 HydrophobicContact CG1-CE2 3.75Å; I482-F520 HydrophobicContact CG2-CE2 4.37Å; W484-F520 HydrophobicContact CB-CE2 3.94Å; W484-F520 HydrophobicContact CB-CZ 3.91Å; W484-F520 HydrophobicContact CE3-CB 4.13Å; W484-F520 HydrophobicContact CE3-CD1 4.08Å; W484-F520 AromaticContact CE3-CD2 3.74Å; W484-F520 HydrophobicContact CE3-CD2 3.74Å; W484-F520 HydrophobicContact CE3-CE1 4.42Å; W484-F520 HydrophobicContact CE3-CE2 4.11Å; W484-F520 AromaticContact CE3-CG 3.72Å; W484-F520 HydrophobicContact CE3-CG 3.72Å; W484-F520 HydrophobicContact CE3-CZ 4.44Å; W484-F520 HydrophobicContact CZ3-CB 3.95Å; W484-F520 HydrophobicContact CZ3-CD2 4.4Å; W484-F520 HydrophobicContact CZ3-CG 4.06Å; F496-F520 HydrophobicContact CB-CD2 3.65Å; F496-F520 HydrophobicContact CB-CE2 4.23Å; F496-F520 HydrophobicContact CD1-CB 3.95Å; F496-F520 HydrophobicContact CD1-CD2 4.26Å; F496-F520 HydrophobicContact CE1-CB 4.32Å; F496-F520 AromaticContact CG-CD2 3.97Å; F496-F520 HydrophobicContact CG-CD2 3.97Å; I516-F520 WeakPolarHBondContact O-CB 3.48Å; I516-F520 PolarHBondContact O-N 3.44Å; M517-F520 CarbonylContact O-C 3.54Å; M517-F520 WeakPolarHBondContact O-CA 3.44Å; M517-F520 WeakPolarHBondContact O-CB 3.26Å; M517-F520 PolarHBondContact O-N 2.94Å; D518-F520 VanDerWaalsContact C-N 3.32Å; D518-F520 PolarHBondContact O-N 3.15Å; F520-L523 PolarHBondContact O-N 3.44Å; F520-K524 HydrophobicContact CD1-CD 4.41Å; F520-K524 HydrophobicContact CE1-CD 3.8Å; F520-K524 HydrophobicContact CZ-CD 4.25Å; F520-K524 WeakPolarHBondContact O-CB 2.75Å; F520-K524 PolarHBondContact O-N 3.43Å
521	D	92.4	Very high	86.7	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-41.8	-179.7	-74.8	-50.4	0	0	0	112	M517 L523 K524 E525	M517-D521 PolarHBondContact O-N 3.26Å; D521-L523 PolarHBondContact O-N 3.41Å; D521-K524 PolarHBondContact O-N 2.89Å; D521-K524 VanDerWaalsContact O-N 3.13Å; D521-K524 IonicContact OD1-NZ 2.78Å; D521-K524 PolarHBondContact OD1-NZ 3.06Å; D521-E525 WeakPolarHBondContact O-CB 3.5Å; D521-E525 PolarHBondContact O-N 3.5Å
522	S	91.9	Very high	85.2	Confident	16 Å²	16	62.6 Å²	62.6	11%	0.112	34%	0.34	C	S	.	.	H	α-helix	trans	-54.9	-38.4	171.2	-65.7	0	0	0	0	112.6	D518 I526	D518-S522 WeakPolarHBondContact O-CB 3.43Å; D518-S522 PolarHBondContact O-N 3.2Å; D518-S522 PolarHBondContact O-OG 2.91Å; D518-S522 PolarHBondContact OD1-OG 2.68Å; S522-I526 VanDerWaalsContact O-CD1 3.27Å; S522-I526 WeakPolarHBondContact O-CD1 3.24Å; S522-I526 VanDerWaalsContact O-CG1 3.3Å; S522-I526 WeakPolarHBondContact O-CG1 3.48Å; S522-I526 PolarHBondContact O-N 3.38Å
523	L	92.2	Very high	83.3	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-79.4	-33	179.7	-177.3	58.7	0	0	0	111.9	L447 L477 I482 F496 L498 W519 F520 D521 L527	L447-L523 HydrophobicContact CD1-CD1 3.77Å; L447-L523 HydrophobicContact CD2-CB 4.38Å; L477-L523 HydrophobicContact CD1-CD1 3.72Å; L477-L523 HydrophobicContact CD2-CD1 4.06Å; I482-L523 HydrophobicContact CD1-CB 3.96Å; I482-L523 HydrophobicContact CD1-CD2 3.74Å; I482-L523 HydrophobicContact CD1-CG 3.85Å; I482-L523 HydrophobicContact CG1-CD2 4.44Å; F496-L523 HydrophobicContact CE2-CD2 3.72Å; F496-L523 HydrophobicContact CZ-CD2 4.17Å; L498-L523 HydrophobicContact CD1-CD2 4.31Å; L498-L523 HydrophobicContact CD2-CD2 4.36Å; W519-L523 VanDerWaalsContact O-CB 3.29Å; W519-L523 WeakPolarHBondContact O-CB 3.36Å; W519-L523 PolarHBondContact O-N 3.38Å; F520-L523 PolarHBondContact O-N 3.44Å; D521-L523 PolarHBondContact O-N 3.41Å; L523-L527 HydrophobicContact CD1-CD1 4.37Å; L523-L527 HydrophobicContact CG-CD1 4.09Å; L523-L527 WeakPolarHBondContact O-CB 3.43Å; L523-L527 WeakPolarHBondContact O-CD1 3.48Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.09Å; L523-L527 VanDerWaalsContact O-N 3.07Å
524	K	91.5	Very high	81.1	Confident	101 Å²	101	64.1 Å²	64.1	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-68.8	-39.2	176.3	173.1	179.2	148.6	-149.6	0	112.2	I482 F520 D521 L527 A528	I482-K524 HydrophobicContact CG2-CB 4.38Å; F520-K524 HydrophobicContact CD1-CD 4.41Å; F520-K524 HydrophobicContact CE1-CD 3.8Å; F520-K524 HydrophobicContact CZ-CD 4.25Å; F520-K524 WeakPolarHBondContact O-CB 2.75Å; F520-K524 PolarHBondContact O-N 3.43Å; D521-K524 PolarHBondContact O-N 2.89Å; D521-K524 VanDerWaalsContact O-N 3.13Å; D521-K524 IonicContact OD1-NZ 2.78Å; D521-K524 PolarHBondContact OD1-NZ 3.06Å; K524-L527 PolarHBondContact O-N 3.37Å; K524-A528 PolarHBondContact O-N 2.98Å
525	E	89	Confident	78.5	Confident	121 Å²	121	71.2 Å²	71.2	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-57.9	-54.6	171.3	-174.8	-176.3	-178.1	0	0	110.9	D521 L527 A528 D529	D521-E525 WeakPolarHBondContact O-CB 3.5Å; D521-E525 PolarHBondContact O-N 3.5Å; E525-L527 PolarHBondContact O-N 2.75Å; E525-A528 WeakPolarHBondContact O-CB 3.49Å; E525-A528 PolarHBondContact O-N 3.43Å; E525-D529 PolarHBondContact O-N 3.34Å
526	I	88.2	Confident	75.6	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-58.1	-36.1	177.9	-65.3	164.1	0	0	0	112.2	I419 L447 L477 S522 M530	I419-I526 HydrophobicContact CB-CD1 4.26Å; I419-I526 HydrophobicContact CD1-CD1 3.48Å; I419-I526 VanDerWaalsContact CD1-CD1 3.48Å; I419-I526 HydrophobicContact CD1-CG1 3.67Å; I419-I526 HydrophobicContact CG1-CD1 4.45Å; I419-I526 HydrophobicContact CG2-CD1 4.16Å; L447-I526 HydrophobicContact CD1-CD1 3.69Å; L447-I526 HydrophobicContact CD2-CD1 3.69Å; L447-I526 HydrophobicContact CG-CD1 3.48Å; L447-I526 VanDerWaalsContact CG-CD1 3.48Å; L477-I526 HydrophobicContact CD1-CG2 4.29Å; S522-I526 VanDerWaalsContact O-CD1 3.27Å; S522-I526 WeakPolarHBondContact O-CD1 3.24Å; S522-I526 VanDerWaalsContact O-CG1 3.3Å; S522-I526 WeakPolarHBondContact O-CG1 3.48Å; S522-I526 PolarHBondContact O-N 3.38Å; I526-M530 HydrophobicContact CG2-CE 4.07Å; I526-M530 WeakPolarHBondContact O-CE 3.22Å; I526-M530 WeakPolarHBondContact O-CG 3.42Å; I526-M530 PolarHBondContact O-N 2.91Å
527	L	88.6	Confident	72.5	Confident	25 Å²	25	84 Å²	84	13%	0.131	45%	0.451	C	S	.	.	H	α-helix	trans	-76.2	-23.8	178.2	-71.3	170.3	0	0	0	113.4	L477 A480 I482 L498 L523 K524 E525 M530	L477-L527 HydrophobicContact CB-CD2 4.23Å; L477-L527 VanDerWaalsContact O-CD2 3.28Å; L477-L527 WeakPolarHBondContact O-CD2 3.39Å; A480-L527 HydrophobicContact CB-CD2 3.98Å; I482-L527 HydrophobicContact CB-CD1 3.69Å; I482-L527 HydrophobicContact CG2-CD1 3.84Å; L498-L527 HydrophobicContact CD1-CD1 4.3Å; L523-L527 HydrophobicContact CD1-CD1 4.37Å; L523-L527 HydrophobicContact CG-CD1 4.09Å; L523-L527 WeakPolarHBondContact O-CB 3.43Å; L523-L527 WeakPolarHBondContact O-CD1 3.48Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.09Å; L523-L527 VanDerWaalsContact O-N 3.07Å; K524-L527 PolarHBondContact O-N 3.37Å; E525-L527 PolarHBondContact O-N 2.75Å; L527-M530 HydrophobicContact CD2-CE 3.72Å
528	A	84.8	Confident	69.5	Low	71 Å²	71	85.4 Å²	85.4	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-77.9	-44.2	172.9	0	0	0	0	0	111.8	K524 E525 M530	K524-A528 PolarHBondContact O-N 2.98Å; E525-A528 WeakPolarHBondContact O-CB 3.49Å; E525-A528 PolarHBondContact O-N 3.43Å; A528-M530 VanDerWaalsContact C-N 3.29Å; A528-M530 PolarHBondContact O-N 3.16Å
529	D	75.9	Confident	66.6	Low	137 Å²	137	86.9 Å²	86.9	73%	0.733	48%	0.478	S	S	*	.	H	α-helix	trans	-68.7	-23	-179.6	-96	17.9	0	0	0	114	E525	E525-D529 PolarHBondContact O-N 3.34Å
530	M	70.2	Confident	63.5	Low	18 Å²	18	92.5 Å²	92.5	9%	0.089	51%	0.513	C	S	.	.	S	Bend	trans	-74.5	132.1	-176.9	-88.1	-168.9	-58.5	0	0	112.8	A450 L477 R478 I526 L527 A528 H532	A450-M530 HydrophobicContact CB-SD 4.33Å; L477-M530 VanDerWaalsContact C-CE 3.48Å; L477-M530 HydrophobicContact CB-CE 3.63Å; L477-M530 HydrophobicContact CB-SD 4.45Å; L477-M530 VanDerWaalsContact O-CE 3.23Å; L477-M530 WeakPolarHBondContact O-CE 3.3Å; R478-M530 HydrophobicContact CB-SD 4.41Å; R478-M530 HydrophobicContact CG-SD 3.64Å; I526-M530 HydrophobicContact CG2-CE 4.07Å; I526-M530 WeakPolarHBondContact O-CE 3.22Å; I526-M530 WeakPolarHBondContact O-CG 3.42Å; I526-M530 PolarHBondContact O-N 2.91Å; L527-M530 HydrophobicContact CD2-CE 3.72Å; A528-M530 VanDerWaalsContact C-N 3.29Å; A528-M530 PolarHBondContact O-N 3.16Å; M530-H532 PolarHBondContact O-N 3.49Å
531	P	60.4	Low	60.5	Low	116 Å²	116	97.2 Å²	97.2	75%	0.753	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.6	124.3	179.1	24.9	-33.9	0	0	0	110.2
532	H	52.4	Low	57.4	Low	149 Å²	149	102 Å²	102	69%	0.69	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-56.8	146.4	-178.3	-76.9	29.9	0	0	0	111.5	M530 G534	M530-H532 PolarHBondContact O-N 3.49Å; H532-G534 PolarHBondContact O-N 2.89Å
533	P	47.1	Very low	54.4	Low	112 Å²	112	110.6 Å²	110.6	73%	0.727	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	72.7	176.6	31.1	-36.1	0	0	0	111.4
534	G	38.1	Very low	51.4	Low	67 Å²	67	113 Å²	113	69%	0.691	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.2	-22.3	-177.1	0	0	0	0	0	115	H532	H532-G534 PolarHBondContact O-N 2.89Å
535	F	32.8	Very low	48.3	Very low	206 Å²	206	113.1 Å²	113.1	90%	0.904	63%	0.627	S	S	*	*			trans	-115.3	70.2	-173.9	-114.9	-91.7	0	0	0	115.2
536	S	30.3	Very low	45.6	Very low	102 Å²	102	115.7 Å²	115.7	71%	0.713	63%	0.633	S	S	*	*				-157.7	102.3	128.5	61.8	0	0	0	0	110.2	T538	S536-T538 PolarHBondContact O-N 3.31Å
537	R	27.1	Very low	42.9	Very low	242 Å²	242	124.3 Å²	124.3	91%	0.913	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.2	120.2	138.6	-70.3	-173.8	-177.8	-167	2.1	104.7
538	T	27.2	Very low	40.3	Very low	112 Å²	112	129.3 Å²	129.3	69%	0.687	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-52.4	132.6	154.3	44.1	0	0	0	0	106.4	S536 V540	S536-T538 PolarHBondContact O-N 3.31Å; T538-V540 PolarHBondContact O-N 3.35Å
539	P	31	Very low	37.7	Very low	106 Å²	106	129 Å²	129	69%	0.688	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.3	118.7	174.3	23.9	-32.2	0	0	0	107.1	I541	P539-I541 PolarHBondContact O-N 3.28Å
540	V	28.7	Very low	36	Very low	124 Å²	124	131.2 Å²	131.2	75%	0.752	72%	0.718	S	S	*	*			trans	-63.4	103.1	160.9	173.9	0	0	0	0	103.3	T538 E542	T538-V540 PolarHBondContact O-N 3.35Å; V540-E542 PolarHBondContact O-N 2.95Å
541	I	31.1	Very low	34.1	Very low	129 Å²	129	141.3 Å²	141.3	66%	0.662	76%	0.755	S	S	*	*			trans	-69.8	93.9	175.8	-57.7	179.8	0	0	0	105.5	P539 R543	P539-I541 PolarHBondContact O-N 3.28Å; I541-R543 HydrophobicContact CG2-CG 3.95Å; I541-R543 PolarHBondContact O-N 3.44Å
542	E	26.8	Very low	32.9	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	76%	0.764	S	S	*	*			trans	-60.1	87.2	163.5	-66.4	-173.3	152.4	0	0	107.2	V540 G544	V540-E542 PolarHBondContact O-N 2.95Å; E542-G544 PolarHBondContact O-N 3.18Å
543	R	29.3	Very low	32.2	Very low	197 Å²	197	146 Å²	146	74%	0.743	77%	0.77	S	S	*	*			trans	-68.1	87.4	171.1	-80.9	-169.5	172.4	-172.3	-1.5	107.6	I541	I541-R543 HydrophobicContact CG2-CG 3.95Å; I541-R543 PolarHBondContact O-N 3.44Å
544	G	28.8	Very low	31.8	Very low	52 Å²	52	146.6 Å²	146.6	54%	0.536	77%	0.774	S	S	.	*			trans	-61.6	137	-173.4	0	0	0	0	0	113	E542 Y546	E542-G544 PolarHBondContact O-N 3.18Å; G544-Y546 PolarHBondContact O-N 3.31Å
545	S	27.2	Very low	31.8	Very low	103 Å²	103	148.3 Å²	148.3	72%	0.72	78%	0.781	S	S	*	*			trans	40	78	143.7	-157.2	0	0	0	0	117.2
546	Y	32.2	Very low	32	Very low	176 Å²	176	142.1 Å²	142.1	69%	0.69	78%	0.776	S	S	*	*			trans	-90	115.7	152.4	-36.9	-61.8	0	0	0	107.7	G544 P548	G544-Y546 PolarHBondContact O-N 3.31Å; Y546-P548 WeakPolarHBondContact O-CD 3.36Å
547	K	30.6	Very low	32.5	Very low	191 Å²	191	142.4 Å²	142.4	83%	0.83	78%	0.778	S	S	*	*			trans	-83.4	131.1	176.3	-62.2	175.3	-177.6	173.8	0	110.6
548	P	34.6	Very low	33.2	Very low	130 Å²	130	138 Å²	138	84%	0.844	77%	0.768	S	S	*	*			trans	-101.7	104.9	141.5	3.7	16.6	0	0	0	107.2	Y546	Y546-P548 WeakPolarHBondContact O-CD 3.36Å
549	G	30.2	Very low	33.7	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	77%	0.77	S	S	*	*			trans	-89	128.7	177.3	0	0	0	0	0	111.6
550	L	39.9	Very low	33.9	Very low	182 Å²	182	142.5 Å²	142.5	95%	0.953	77%	0.773	S	S	*	*			trans	-150.5	155.5	152.1	-134.3	71.9	0	0	0	110.3
551	R	31.2	Very low	34.2	Very low	230 Å²	230	141.5 Å²	141.5	87%	0.868	77%	0.769	S	S	*	*			trans	-89.6	143.1	-166.1	-55.3	178.6	179.1	-156.5	2.8	113.6
552	R	33.2	Very low	34.4	Very low	246 Å²	246	142.2 Å²	142.2	93%	0.928	77%	0.773	S	S	*	*				-172	155.3	104.5	-101.8	171.6	-104.4	-149.2	-1.4	114.7
553	S	38.7	Very low	34.7	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	77%	0.767	S	S	*	*			trans	-66.8	173.9	-157.1	-48.5	0	0	0	0	119.6
554	P	38.1	Very low	34.6	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	76%	0.76	S	S	*	*			trans	-116.3	174.2	-174.6	43.1	-33.1	0	0	0	115.4
555	A	38.5	Very low	34.5	Very low	103 Å²	103	141.2 Å²	141.2	85%	0.851	77%	0.768	S	S	*	*			trans	-173.5	134.7	145.5	0	0	0	0	0	114.7
556	G	36.7	Very low	34.7	Very low	76 Å²	76	145.4 Å²	145.4	78%	0.784	77%	0.773	S	S	*	*			trans	69.1	155.1	156.8	0	0	0	0	0	119.8
557	S	41.2	Very low	34.4	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	78%	0.78	S	S	*	*			cis	-164.9	145.1	-16.7	-114.6	0	0	0	0	112.6
558	Q	41.3	Very low	34.4	Very low	149 Å²	149	137.1 Å²	137.1	70%	0.696	77%	0.77	S	S	*	*			trans	23.2	139	136.4	-69.9	-172.9	30.8	0	0	119.9
559	K	38.8	Very low	34.1	Very low	168 Å²	168	137.8 Å²	137.8	73%	0.73	77%	0.766	S	S	*	*			cis	-166.4	-179.5	25.1	-96.4	148.8	167.8	149.5	0	107.1
560	L	35.6	Very low	33.9	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	77%	0.768	S	S	*	*			cis	-161.5	165.1	-7.9	-111	159.1	0	0	0	108.2
561	P	35.3	Very low	33.3	Very low	102 Å²	102	140.2 Å²	140.2	66%	0.662	76%	0.757	S	S	*	*			trans	-115	-179.3	176.3	37.7	-24.1	0	0	0	114.4
562	I	34.2	Very low	33.1	Very low	144 Å²	144	136.4 Å²	136.4	74%	0.738	75%	0.747	S	S	*	*			trans	150.6	125	139.2	-81.8	161.4	0	0	0	115.8
563	K	32.5	Very low	32.9	Very low	160 Å²	160	132.9 Å²	132.9	70%	0.696	74%	0.741	S	S	*	*			trans	53.5	164.2	149.5	-71.5	178.6	159.9	-118.3	0	120.6
564	E	28.1	Very low	32.3	Very low	128 Å²	128	133.5 Å²	133.5	60%	0.598	74%	0.735	S	S	*	*			cis	-158.7	142.9	-20.1	-118	162.9	-178.2	0	0	113.9
565	T	27.6	Very low	31.9	Very low	115 Å²	115	138.2 Å²	138.2	71%	0.706	74%	0.737	S	S	*	*			trans	66.8	150.8	149.2	69.7	0	0	0	0	123.7
566	K	29.9	Very low	31.2	Very low	192 Å²	192	138.6 Å²	138.6	84%	0.835	73%	0.732	S	S	*	*			trans	76.4	99.8	150.6	-76	164.2	-178.2	175.3	0	121.2
567	S	27.1	Very low	30.8	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	73%	0.733	S	S	*	*				89.8	145.8	112.3	-160.6	0	0	0	0	120.9
568	A	29.9	Very low	30.2	Very low	76 Å²	76	145 Å²	145	63%	0.628	73%	0.733	S	S	*	*			trans	71.5	112.4	156.6	0	0	0	0	0	120.2
569	N	27.4	Very low	29.6	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	74%	0.738	S	S	*	*			trans	75.4	125.5	130.2	-61.6	9.5	0	0	0	122.3
570	D	27.4	Very low	29	Very low	135 Å²	135	143.5 Å²	143.5	72%	0.722	74%	0.742	S	S	*	*			trans	90.7	145.7	130.1	-91.2	-48.5	0	0	0	122.9
571	F	27.9	Very low	28.6	Very low	163 Å²	163	143.6 Å²	143.6	72%	0.715	74%	0.742	S	S	*	*			trans	57.7	119.4	168	-80.8	-136.1	0	0	0	117.7
572	K	26.8	Very low	28.4	Very low	151 Å²	151	143.6 Å²	143.6	66%	0.657	75%	0.75	S	S	*	*			cis	88.9	93.2	44.4	176.3	-139.7	179.4	-172.8	0	112
573	E	29.1	Very low	28	Very low	172 Å²	172	146.1 Å²	146.1	80%	0.804	76%	0.756	S	S	*	*				-163.1	141.9	126.1	-93.3	-176.9	129.2	0	0	106.4
574	N	25.8	Very low	27.9	Very low	129 Å²	129	147.3 Å²	147.3	69%	0.69	76%	0.761	S	S	*	*			cis	88.9	136.6	38.7	-83	-18.4	0	0	0	114.8
575	R	28.2	Very low	28.2	Very low	225 Å²	225	149.6 Å²	149.6	85%	0.849	77%	0.769	S	S	*	*			trans	72	125.3	172.6	-65.7	179.1	175	168.6	-1.9	114
576	C	25.4	Very low	28.3	Very low	110 Å²	110	152.9 Å²	152.9	74%	0.743	78%	0.782	S	S	*	*				75.7	147.2	93.2	-56.9	0	0	0	0	111.9
577	E	27.3	Very low	28.2	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	78%	0.776	S	S	*	*			cis	-149	-161.8	21	-149.1	163.6	141.3	0	0	113.4
578	L	29.6	Very low	28.4	Very low	146 Å²	146	154.5 Å²	154.5	76%	0.764	78%	0.776	S	S	*	*			trans	-63.2	137.3	179.6	-80	56.5	0	0	0	112.9
579	T	27.6	Very low	28.5	Very low	132 Å²	132	157.1 Å²	157.1	81%	0.81	79%	0.785	S	S	*	*				-170.5	122.8	119.5	18.1	0	0	0	0	108.4
580	L	26.6	Very low	28.4	Very low	153 Å²	153	159.5 Å²	159.5	80%	0.801	79%	0.788	S	S	*	*				74.3	135.1	69.5	-130	164.3	0	0	0	113.2
581	I	27.5	Very low	28.4	Very low	148 Å²	148	161.3 Å²	161.3	76%	0.759	79%	0.79	S	S	*	*			trans	75.5	90.4	174.5	-40.8	178.9	0	0	0	117.1
582	A	29.9	Very low	28.4	Very low	101 Å²	101	161.5 Å²	161.5	84%	0.835	79%	0.791	S	S	*	*			trans	-159.5	63.9	150.7	0	0	0	0	0	111.9	F584	A582-F584 PolarHBondContact O-N 3.45Å
583	F	27	Very low	28.4	Very low	198 Å²	198	160.9 Å²	160.9	87%	0.868	80%	0.799	S	S	*	*			trans	-64.2	121	171.1	-83.7	-108	0	0	0	110.6
584	F	30.2	Very low	28.4	Very low	184 Å²	184	156.4 Å²	156.4	81%	0.807	79%	0.792	S	S	*	*			trans	-158	129.6	150.9	-109.3	-65.1	0	0	0	114.8	A582	A582-F584 PolarHBondContact O-N 3.45Å
585	K	35.3	Very low	28.6	Very low	176 Å²	176	155.1 Å²	155.1	77%	0.765	80%	0.799	S	S	*	*			trans	63.4	52.5	158.4	-78.6	152.2	-175.5	169.8	0	118.5
586	L	29.7	Very low	28.9	Very low	185 Å²	185	149.3 Å²	149.3	97%	0.969	80%	0.8	S	S	*	*			trans	-83.1	88.4	132.6	-130.4	78.3	0	0	0	108.5
587	R	27.4	Very low	29.2	Very low	186 Å²	186	151.2 Å²	151.2	70%	0.702	80%	0.802	S	S	*	*			trans	-163.6	125.4	168.5	-112.5	174.9	85.8	133.5	1.7	110.3
588	N	30.6	Very low	29.6	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	80%	0.803	S	S	*	*			trans	152.8	53.9	156.2	-81	3.9	0	0	0	111.3
589	V	31.4	Very low	30	Very low	132 Å²	132	148.4 Å²	148.4	80%	0.8	81%	0.807	S	S	*	*	S	Bend	trans	-138.6	109.3	161.1	178.7	0	0	0	0	105.7
590	F	26.8	Very low	30.3	Very low	193 Å²	193	145.5 Å²	145.5	85%	0.846	80%	0.804	S	S	*	*	S	Bend	trans	66.5	164.6	-176.9	-77.2	-110.7	0	0	0	117.2
591	F	26.4	Very low	30.9	Very low	173 Å²	173	144.4 Å²	144.4	76%	0.759	81%	0.806	S	S	*	*			trans	64.9	99.4	-176.7	-75.2	-87.7	0	0	0	118.8
592	F	27.4	Very low	31.2	Very low	168 Å²	168	142.2 Å²	142.2	74%	0.737	80%	0.803	S	S	*	*				-152.8	113.7	125.7	-135.5	-86.4	0	0	0	111.2
593	V	27.8	Very low	31.5	Very low	137 Å²	137	145.6 Å²	145.6	83%	0.83	81%	0.806	S	S	*	*			trans	-143.8	146.4	169.1	172.3	0	0	0	0	106.4
594	A	28.9	Very low	32.1	Very low	79 Å²	79	142.6 Å²	142.6	65%	0.653	80%	0.798	S	S	*	*	S	Bend	trans	74.3	145.5	178.4	0	0	0	0	0	118.4
595	A	29.3	Very low	32.4	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	80%	0.797	S	S	*	*			trans	53.9	95.9	158.4	0	0	0	0	0	120.3
596	A	35.3	Very low	32.8	Very low	104 Å²	104	137.4 Å²	137.4	86%	0.86	80%	0.801	S	S	*	*			trans	-154.9	127.4	139.5	0	0	0	0	0	109.2
597	D	31.7	Very low	33.2	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	79%	0.787	S	S	*	*			trans	-90.2	165.8	-176	-113.3	-49.1	0	0	0	113.7
598	L	35.1	Very low	34.2	Very low	159 Å²	159	131 Å²	131	83%	0.832	79%	0.79	S	S	*	*			trans	29.1	95.2	161	-85.3	65.2	0	0	0	118.4
599	A	39.1	Very low	35.4	Very low	102 Å²	102	128.6 Å²	128.6	84%	0.843	79%	0.786	S	S	*	*				173.3	127	116.3	0	0	0	0	0	112.6
600	G	33.5	Very low	36.8	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	79%	0.786	S	S	*	*			trans	-75.6	171	159.3	0	0	0	0	0	111.5
601	P	37.7	Very low	38.6	Very low	130 Å²	130	122.6 Å²	122.6	84%	0.844	77%	0.766	S	S	*	*				-144.8	-175	52	41	-23	0	0	0	116.3
602	S	34.3	Very low	41	Very low	101 Å²	101	117.3 Å²	117.3	71%	0.706	75%	0.75	S	S	*	*			trans	76.6	100.7	166.7	-155.5	0	0	0	0	117	N604	S602-N604 PolarHBondContact O-N 2.99Å
603	I	36	Very low	43.5	Very low	173 Å²	173	113.7 Å²	113.7	89%	0.887	73%	0.734	S	S	*	*			trans	-81.9	112.9	174.7	-60.2	168.1	0	0	0	108.9
604	N	39.5	Very low	45.9	Very low	134 Å²	134	114 Å²	114	72%	0.717	73%	0.727	S	S	*	*			trans	-125.6	131.9	163.9	-86.1	-56.8	0	0	0	109.2	S602 V606	S602-N604 PolarHBondContact O-N 2.99Å; N604-V606 PolarHBondContact O-N 3.2Å
605	S	36.4	Very low	48.4	Very low	111 Å²	111	112 Å²	112	78%	0.776	71%	0.708	S	S	*	*			trans	-66.1	114.1	-170.3	-170.6	0	0	0	0	112.2	E607	S605-E607 PolarHBondContact O-N 3.21Å; S605-E607 VanDerWaalsContact O-N 3.07Å
606	V	45.1	Very low	51	Low	140 Å²	140	111 Å²	111	85%	0.848	69%	0.687	S	S	*	*			trans	-84.5	70.5	169.8	-172.2	0	0	0	0	108.5	N604 A608	N604-V606 PolarHBondContact O-N 3.2Å; V606-A608 PolarHBondContact O-N 3.08Å; V606-A608 VanDerWaalsContact O-N 3.09Å
607	E	38	Very low	53.4	Low	143 Å²	143	111 Å²	111	67%	0.668	67%	0.673	S	S	*	*			trans	-66.1	108.9	177.3	-168.3	168.2	-146.9	0	0	109.4	S605 S609	S605-E607 PolarHBondContact O-N 3.21Å; S605-E607 VanDerWaalsContact O-N 3.07Å; E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 3.04Å
608	A	47.1	Very low	56	Low	93 Å²	93	109.1 Å²	109.1	77%	0.769	66%	0.659	S	S	*	*			trans	-72.1	81.8	-170.8	0	0	0	0	0	111.4	V606 V610	V606-A608 PolarHBondContact O-N 3.08Å; V606-A608 VanDerWaalsContact O-N 3.09Å; A608-V610 PolarHBondContact O-N 3.09Å
609	S	55.9	Low	58.4	Low	107 Å²	107	107.5 Å²	107.5	75%	0.748	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-48.4	121.3	-171.7	61.2	0	0	0	0	113	E607	E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 3.04Å
610	V	61.3	Low	60.8	Low	133 Å²	133	106.9 Å²	106.9	81%	0.806	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.3	179.6	178.6	0	0	0	0	108.8	A608 S612	A608-V610 PolarHBondContact O-N 3.09Å; V610-S612 PolarHBondContact O-N 2.75Å
611	P	65.5	Low	63.3	Low	65 Å²	65	106.3 Å²	106.3	42%	0.422	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-63.2	124.5	-174.7	24.1	-33.3	0	0	0	110.3	I616	P611-I616 HydrophobicContact CB-CG1 4.27Å; P611-I616 HydrophobicContact CG-CD1 4.38Å; P611-I616 HydrophobicContact CG-CG1 4.34Å; P611-I616 WeakPolarHBondContact O-CD1 3.42Å
612	S	76.5	Confident	65.6	Low	62 Å²	62	108 Å²	108	43%	0.434	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-58	151.9	-175.6	78.1	0	0	0	0	112	V610 Q614 S615 I616	V610-S612 PolarHBondContact O-N 2.75Å; S612-Q614 PolarHBondContact O-N 3.28Å; S612-S615 WeakPolarHBondContact O-CA 3.49Å; S612-S615 WeakPolarHBondContact O-CB 3.49Å; S612-S615 PolarHBondContact O-N 3.47Å; S612-S615 PolarHBondContact OG-N 2.85Å; S612-I616 PolarHBondContact O-N 3.29Å
613	K	78.9	Confident	68.1	Low	92 Å²	92	108.8 Å²	108.8	40%	0.4	59%	0.59	S	S	.	*	H	α-helix	trans	-49.3	-36.8	175.2	-171	-160.2	-178.5	174	0	112.4	T410 F411 L617	T410-K613 HydrophobicContact CG2-CB 4.48Å; T410-K613 HydrophobicContact CG2-CD 3.58Å; T410-K613 HydrophobicContact CG2-CG 3.97Å; T410-K613 WeakPolarHBondContact O-CE 3.46Å; T410-K613 PolarHBondContact O-NZ 3.1Å; F411-K613 VanDerWaalsContact CE1-NZ 3.3Å; K613-L617 WeakPolarHBondContact O-CB 3.33Å; K613-L617 PolarHBondContact O-N 3.2Å
614	Q	78.9	Confident	70.6	Confident	144 Å²	144	105.9 Å²	105.9	67%	0.673	58%	0.575	S	S	*	*	H	α-helix	trans	-66.7	-47.1	176.6	-68.7	168.1	-17.7	0	0	111.3	S612 I616 L617 E618	S612-Q614 PolarHBondContact O-N 3.28Å; Q614-I616 VanDerWaalsContact C-N 3.33Å; Q614-I616 PolarHBondContact O-N 2.81Å; Q614-L617 PolarHBondContact O-N 3.04Å; Q614-E618 WeakPolarHBondContact O-CG 3.16Å; Q614-E618 PolarHBondContact O-N 3.44Å
615	S	80.8	Confident	72.6	Confident	37 Å²	37	109.2 Å²	109.2	26%	0.259	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-39.4	175.3	-170.2	0	0	0	0	112.7	S612 K619	S612-S615 WeakPolarHBondContact O-CA 3.49Å; S612-S615 WeakPolarHBondContact O-CB 3.49Å; S612-S615 PolarHBondContact O-N 3.47Å; S612-S615 PolarHBondContact OG-N 2.85Å; S615-K619 WeakPolarHBondContact O-CB 3.31Å; S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 3.16Å; S615-K619 PolarHBondContact O-N 3.49Å
616	I	84.7	Confident	75	Confident	79 Å²	79	110 Å²	110	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-64.4	-45.1	174.8	-62.3	172.3	0	0	0	110.4	P611 S612 Q614 K619 L620	P611-I616 HydrophobicContact CB-CG1 4.27Å; P611-I616 HydrophobicContact CG-CD1 4.38Å; P611-I616 HydrophobicContact CG-CG1 4.34Å; P611-I616 WeakPolarHBondContact O-CD1 3.42Å; S612-I616 PolarHBondContact O-N 3.29Å; Q614-I616 VanDerWaalsContact C-N 3.33Å; Q614-I616 PolarHBondContact O-N 2.81Å; I616-K619 PolarHBondContact O-N 3.47Å; I616-L620 HydrophobicContact CG2-CD1 4.04Å; I616-L620 WeakPolarHBondContact O-CG 3.41Å; I616-L620 PolarHBondContact O-N 3.02Å
617	L	86.1	Confident	77	Confident	106 Å²	106	111.4 Å²	111.4	56%	0.555	56%	0.564	S	S	*	*	H	α-helix	trans	-62.7	-43.3	177.7	-176.3	63.4	0	0	0	112.1	K613 Q614 L620 V621	K613-L617 WeakPolarHBondContact O-CB 3.33Å; K613-L617 PolarHBondContact O-N 3.2Å; Q614-L617 PolarHBondContact O-N 3.04Å; L617-L620 PolarHBondContact O-N 2.95Å; L617-V621 HydrophobicContact CD1-CG2 4.47Å; L617-V621 WeakPolarHBondContact O-CG2 3.35Å; L617-V621 PolarHBondContact O-N 3.09Å
618	E	84.9	Confident	79.2	Confident	108 Å²	108	107.3 Å²	107.3	51%	0.505	55%	0.549	S	S	.	.	H	α-helix	trans	-61.9	-43.9	175	-74.9	174.7	-152.5	0	0	112.5	Q614 L620 V621 R622	Q614-E618 WeakPolarHBondContact O-CG 3.16Å; Q614-E618 PolarHBondContact O-N 3.44Å; E618-L620 VanDerWaalsContact C-N 3.35Å; E618-V621 PolarHBondContact O-N 2.88Å; E618-R622 WeakPolarHBondContact O-CG 3.22Å; E618-R622 PolarHBondContact O-N 2.88Å
619	K	86.6	Confident	81.1	Confident	126 Å²	126	105.7 Å²	105.7	55%	0.548	53%	0.532	S	S	.	.	H	α-helix	trans	-60.7	-43.5	174.9	-74.9	171.9	-177	178.8	0	111.1	S615 I616 R622 F623	S615-K619 WeakPolarHBondContact O-CB 3.31Å; S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 3.16Å; S615-K619 PolarHBondContact O-N 3.49Å; I616-K619 PolarHBondContact O-N 3.47Å; K619-R622 PolarHBondContact O-N 3.46Å; K619-F623 VanDerWaalsContact O-CB 3.29Å; K619-F623 WeakPolarHBondContact O-CB 3.41Å; K619-F623 PolarHBondContact O-N 2.89Å
620	L	88.9	Confident	82.4	Confident	88 Å²	88	104 Å²	104	46%	0.461	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-40.7	176.4	-73.3	171.2	0	0	0	112.6	I616 L617 E618 F623 L624	I616-L620 HydrophobicContact CG2-CD1 4.04Å; I616-L620 WeakPolarHBondContact O-CG 3.41Å; I616-L620 PolarHBondContact O-N 3.02Å; L617-L620 PolarHBondContact O-N 2.95Å; E618-L620 VanDerWaalsContact C-N 3.35Å; L620-F623 PolarHBondContact O-N 2.98Å; L620-L624 WeakPolarHBondContact O-CB 3.12Å; L620-L624 WeakPolarHBondContact O-CG 3.37Å; L620-L624 PolarHBondContact O-N 2.97Å
621	V	85.7	Confident	83.4	Confident	60 Å²	60	101.7 Å²	101.7	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-39.7	176	169.6	0	0	0	0	111.3	L617 E618 R625	L617-V621 HydrophobicContact CD1-CG2 4.47Å; L617-V621 WeakPolarHBondContact O-CG2 3.35Å; L617-V621 PolarHBondContact O-N 3.09Å; E618-V621 PolarHBondContact O-N 2.88Å; V621-R625 WeakPolarHBondContact O-CB 3.44Å; V621-R625 VanDerWaalsContact O-CG 3.27Å; V621-R625 WeakPolarHBondContact O-CG 3.38Å; V621-R625 PolarHBondContact O-N 3.06Å; V621-R625 VanDerWaalsContact O-N 3.17Å
622	R	85.9	Confident	84.4	Confident	165 Å²	165	102.9 Å²	102.9	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-65.3	-44.8	171.5	-71.5	-178.3	-170.8	163.6	8.8	111.7	E618 K619 L624 R625 N626	E618-R622 WeakPolarHBondContact O-CG 3.22Å; E618-R622 PolarHBondContact O-N 2.88Å; K619-R622 PolarHBondContact O-N 3.46Å; R622-L624 PolarHBondContact O-N 3.3Å; R622-R625 PolarHBondContact O-N 3.18Å; R622-N626 WeakPolarHBondContact O-CB 3.32Å; R622-N626 PolarHBondContact O-N 3.4Å
623	F	88.2	Confident	84.9	Confident	118 Å²	118	102.3 Å²	102.3	52%	0.518	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-44.2	178.9	174	-102.3	0	0	0	112.5	K619 L620 N626 R627	K619-F623 VanDerWaalsContact O-CB 3.29Å; K619-F623 WeakPolarHBondContact O-CB 3.41Å; K619-F623 PolarHBondContact O-N 2.89Å; L620-F623 PolarHBondContact O-N 2.98Å; F623-N626 CarbonylContact O-C 3.47Å; F623-N626 PolarHBondContact O-N 3.21Å; F623-R627 HydrophobicContact CZ-CG 4.47Å; F623-R627 VanDerWaalsContact O-CA 3.24Å; F623-R627 WeakPolarHBondContact O-CA 3.32Å; F623-R627 WeakPolarHBondContact O-CB 3.32Å; F623-R627 PolarHBondContact O-N 3.22Å
624	L	87.9	Confident	85.1	Confident	112 Å²	112	103 Å²	103	59%	0.586	49%	0.488	S	S	*	.	H	α-helix	trans	-70.1	-33.6	179.6	-69.7	173.4	0	0	0	112.7	L620 R622	L620-L624 WeakPolarHBondContact O-CB 3.12Å; L620-L624 WeakPolarHBondContact O-CG 3.37Å; L620-L624 PolarHBondContact O-N 2.97Å; R622-L624 PolarHBondContact O-N 3.3Å
625	R	82.1	Confident	85.4	Confident	204 Å²	204	102.6 Å²	102.6	77%	0.77	49%	0.486	S	S	*	.	H	α-helix	trans	-71.5	-38.3	173.6	-74.1	174.9	178.1	-174.2	-0.1	112.9	V621 R622	V621-R625 WeakPolarHBondContact O-CB 3.44Å; V621-R625 VanDerWaalsContact O-CG 3.27Å; V621-R625 WeakPolarHBondContact O-CG 3.38Å; V621-R625 PolarHBondContact O-N 3.06Å; V621-R625 VanDerWaalsContact O-N 3.17Å; R622-R625 PolarHBondContact O-N 3.18Å
626	N	86.2	Confident	85.6	Confident	129 Å²	129	106 Å²	106	69%	0.69	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	19.9	-176.2	-60.1	8.3	0	0	0	112.1	R622 F623 P628	R622-N626 WeakPolarHBondContact O-CB 3.32Å; R622-N626 PolarHBondContact O-N 3.4Å; F623-N626 CarbonylContact O-C 3.47Å; F623-N626 PolarHBondContact O-N 3.21Å; N626-P628 WeakPolarHBondContact O-CD 3.42Å
627	R	87.2	Confident	85.5	Confident	169 Å²	169	104.1 Å²	104.1	64%	0.638	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-64.4	121.8	-172.8	-172.8	179.4	176.1	-177.2	-0	109.7	F623 S629	F623-R627 HydrophobicContact CZ-CG 4.47Å; F623-R627 VanDerWaalsContact O-CA 3.24Å; F623-R627 WeakPolarHBondContact O-CA 3.32Å; F623-R627 WeakPolarHBondContact O-CB 3.32Å; F623-R627 PolarHBondContact O-N 3.22Å; R627-S629 PolarHBondContact O-N 2.83Å
628	P	83.4	Confident	85.3	Confident	56 Å²	56	104.7 Å²	104.7	36%	0.364	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-57.9	140.4	174.1	-23.7	34.1	0	0	0	111	N626 F632 L633	N626-P628 WeakPolarHBondContact O-CD 3.42Å; P628-F632 HydrophobicContact CB-CD1 3.75Å; P628-F632 HydrophobicContact CB-CE1 4.33Å; P628-F632 HydrophobicContact CB-CG 4.49Å; P628-L633 HydrophobicContact CB-CD2 4.23Å; P628-L633 HydrophobicContact CB-CG 4.3Å
629	S	86.6	Confident	85.1	Confident	59 Å²	59	103.2 Å²	103.2	41%	0.413	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-71.4	159.3	179.3	91.1	0	0	0	0	111	R627 E631 F632 L633	R627-S629 PolarHBondContact O-N 2.83Å; S629-E631 WeakPolarHBondContact CB-OE2 3.19Å; S629-E631 PolarHBondContact O-N 2.77Å; S629-E631 PolarHBondContact OG-N 3.16Å; S629-E631 PolarHBondContact OG-OE2 3.25Å; S629-F632 PolarHBondContact O-N 2.86Å; S629-F632 PolarHBondContact OG-N 3.21Å; S629-L633 WeakPolarHBondContact O-CG 3.44Å; S629-L633 PolarHBondContact O-N 2.94Å
630	I	84.4	Confident	84.5	Confident	73 Å²	73	104.1 Å²	104.1	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-29.4	178	-170.9	169.7	0	0	0	111.6	L633 K634 Y639	I630-L633 PolarHBondContact O-N 3.37Å; I630-K634 WeakPolarHBondContact O-CG 3.31Å; I630-K634 PolarHBondContact O-N 3.29Å; I630-Y639 HydrophobicContact CD1-CD1 4.5Å; I630-Y639 HydrophobicContact CD1-CD2 4.38Å; I630-Y639 HydrophobicContact CD1-CE1 4.17Å; I630-Y639 HydrophobicContact CD1-CE2 4.02Å; I630-Y639 HydrophobicContact CG1-CD1 4.34Å; I630-Y639 HydrophobicContact CG1-CD2 4.28Å; I630-Y639 HydrophobicContact CG1-CE2 4.42Å; I630-Y639 HydrophobicContact CG1-CG 4.24Å
631	E	83	Confident	83.6	Confident	83 Å²	83	104.1 Å²	104.1	39%	0.388	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-46.2	174.8	-55	77.8	-170.1	0	0	111.3	S629 L633 K634 E635 K793	S629-E631 WeakPolarHBondContact CB-OE2 3.19Å; S629-E631 PolarHBondContact O-N 2.77Å; S629-E631 PolarHBondContact OG-N 3.16Å; S629-E631 PolarHBondContact OG-OE2 3.25Å; E631-L633 VanDerWaalsContact C-N 3.32Å; E631-L633 PolarHBondContact O-N 3.31Å; E631-K634 WeakPolarHBondContact O-CB 3.48Å; E631-K634 PolarHBondContact O-N 2.95Å; E631-E635 PolarHBondContact O-N 2.85Å; E631-K793 IonicContact OE1-NZ 3.67Å; E631-K793 PolarHBondContact OE1-NZ 3.03Å; E631-K793 IonicContact OE2-NZ 2.73Å
632	F	85.9	Confident	83.2	Confident	91 Å²	91	105.7 Å²	105.7	40%	0.399	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-38.8	173.5	-179.7	-90.4	0	0	0	112.1	P628 S629 K634 E635 K636	P628-F632 HydrophobicContact CB-CD1 3.75Å; P628-F632 HydrophobicContact CB-CE1 4.33Å; P628-F632 HydrophobicContact CB-CG 4.49Å; S629-F632 PolarHBondContact O-N 2.86Å; S629-F632 PolarHBondContact OG-N 3.21Å; F632-K634 VanDerWaalsContact C-N 3.33Å; F632-K634 PolarHBondContact O-N 3.46Å; F632-E635 PolarHBondContact O-N 3.29Å; F632-K636 HydrophobicContact CD1-CG 4.19Å; F632-K636 HydrophobicContact CE1-CG 3.82Å; F632-K636 HydrophobicContact CE2-CG 4.39Å; F632-K636 HydrophobicContact CZ-CD 4.43Å; F632-K636 HydrophobicContact CZ-CG 3.94Å; F632-K636 WeakPolarHBondContact O-CG 3.36Å; F632-K636 PolarHBondContact O-N 3.4Å
633	L	86.8	Confident	82.9	Confident	49 Å²	49	101.8 Å²	101.8	26%	0.257	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-30.6	176.5	-65.4	174.3	0	0	0	112.6	P628 S629 I630 E631 G637 I638 Y639	P628-L633 HydrophobicContact CB-CD2 4.23Å; P628-L633 HydrophobicContact CB-CG 4.3Å; S629-L633 WeakPolarHBondContact O-CG 3.44Å; S629-L633 PolarHBondContact O-N 2.94Å; I630-L633 PolarHBondContact O-N 3.37Å; E631-L633 VanDerWaalsContact C-N 3.32Å; E631-L633 PolarHBondContact O-N 3.31Å; L633-G637 PolarHBondContact O-N 2.86Å; L633-I638 HydrophobicContact CD2-CB 4.41Å; L633-I638 HydrophobicContact CD2-CD1 4.12Å; L633-I638 HydrophobicContact CD2-CG2 4.4Å; L633-I638 PolarHBondContact O-N 2.67Å; L633-I638 VanDerWaalsContact O-N 3.08Å; L633-Y639 PolarHBondContact O-N 3.1Å
634	K	82.7	Confident	82.8	Confident	107 Å²	107	97.7 Å²	97.7	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-67.8	-48.1	169.6	-78.2	172.2	171.5	-174	0	111.2	I630 E631 F632 K636 G637 Y639	I630-K634 WeakPolarHBondContact O-CG 3.31Å; I630-K634 PolarHBondContact O-N 3.29Å; E631-K634 WeakPolarHBondContact O-CB 3.48Å; E631-K634 PolarHBondContact O-N 2.95Å; F632-K634 VanDerWaalsContact C-N 3.33Å; F632-K634 PolarHBondContact O-N 3.46Å; K634-K636 VanDerWaalsContact C-N 3.29Å; K634-K636 PolarHBondContact O-N 3.11Å; K634-G637 PolarHBondContact O-N 3.13Å; K634-Y639 HydrophobicContact CD-CD1 4.38Å; K634-Y639 HydrophobicContact CG-CD1 3.71Å; K634-Y639 HydrophobicContact CG-CG 4.29Å
635	E	84.5	Confident	82.8	Confident	135 Å²	135	94.8 Å²	94.8	63%	0.631	47%	0.465	S	S	*	.	H	α-helix	trans	-57.4	-39.9	177.9	-169.4	-152	125.4	0	0	112.2	E631 F632 G637	E631-E635 PolarHBondContact O-N 2.85Å; F632-E635 PolarHBondContact O-N 3.29Å; E635-G637 VanDerWaalsContact C-N 3.26Å; E635-G637 PolarHBondContact O-N 3.04Å
636	K	86	Confident	82.9	Confident	108 Å²	108	86.5 Å²	86.5	47%	0.47	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	5.4	175.3	-59.9	-55.2	177.4	-141.1	0	114.6	F632 K634 I638	F632-K636 HydrophobicContact CD1-CG 4.19Å; F632-K636 HydrophobicContact CE1-CG 3.82Å; F632-K636 HydrophobicContact CE2-CG 4.39Å; F632-K636 HydrophobicContact CZ-CD 4.43Å; F632-K636 HydrophobicContact CZ-CG 3.94Å; F632-K636 WeakPolarHBondContact O-CG 3.36Å; F632-K636 PolarHBondContact O-N 3.4Å; K634-K636 VanDerWaalsContact C-N 3.29Å; K634-K636 PolarHBondContact O-N 3.11Å; K636-I638 HydrophobicContact CB-CD1 3.99Å; K636-I638 HydrophobicContact CB-CG1 4.13Å; K636-I638 PolarHBondContact O-N 3.36Å
637	G	81.7	Confident	82.9	Confident	40 Å²	40	80.7 Å²	80.7	41%	0.412	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	-0.4	179.5	0	0	0	0	0	115.8	L633 K634 E635	L633-G637 PolarHBondContact O-N 2.86Å; K634-G637 PolarHBondContact O-N 3.13Å; E635-G637 VanDerWaalsContact C-N 3.26Å; E635-G637 PolarHBondContact O-N 3.04Å
638	I	83.5	Confident	83.1	Confident	118 Å²	118	73.6 Å²	73.6	61%	0.605	39%	0.389	S	S	*	.	S	Bend	trans	-69.6	-42.6	179.4	-58.8	169.4	0	0	0	109.9	L633 K636 K640	L633-I638 HydrophobicContact CD2-CB 4.41Å; L633-I638 HydrophobicContact CD2-CD1 4.12Å; L633-I638 HydrophobicContact CD2-CG2 4.4Å; L633-I638 PolarHBondContact O-N 2.67Å; L633-I638 VanDerWaalsContact O-N 3.08Å; K636-I638 HydrophobicContact CB-CD1 3.99Å; K636-I638 HydrophobicContact CB-CG1 4.13Å; K636-I638 PolarHBondContact O-N 3.36Å; I638-K640 PolarHBondContact O-N 3.12Å
639	Y	79.3	Confident	83.5	Confident	78 Å²	78	71 Å²	71	31%	0.306	37%	0.372	S	S	.	.	S	Bend	trans	-92.3	84	170.2	-165.5	-82.9	0	0	0	109.7	I630 L633 K634	I630-Y639 HydrophobicContact CD1-CD1 4.5Å; I630-Y639 HydrophobicContact CD1-CD2 4.38Å; I630-Y639 HydrophobicContact CD1-CE1 4.17Å; I630-Y639 HydrophobicContact CD1-CE2 4.02Å; I630-Y639 HydrophobicContact CG1-CD1 4.34Å; I630-Y639 HydrophobicContact CG1-CD2 4.28Å; I630-Y639 HydrophobicContact CG1-CE2 4.42Å; I630-Y639 HydrophobicContact CG1-CG 4.24Å; L633-Y639 PolarHBondContact O-N 3.1Å; K634-Y639 HydrophobicContact CD-CD1 4.38Å; K634-Y639 HydrophobicContact CG-CD1 3.71Å; K634-Y639 HydrophobicContact CG-CG 4.29Å
640	K	74.7	Confident	83.8	Confident	145 Å²	145	71.8 Å²	71.8	63%	0.63	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-66.6	133.5	162.5	-59.7	-174.7	-177.4	-179.5	0	108.9	R363 I638	R363-K640 PolarHBondContact NH1-O 3.13Å; R363-K640 PolarHBondContact NH2-O 3.09Å; R363-K640 VanDerWaalsContact NH2-O 3.14Å; I638-K640 PolarHBondContact O-N 3.12Å
641	P	70.8	Confident	84.1	Confident	87 Å²	87	71.6 Å²	71.6	57%	0.565	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-62.3	157.8	173.1	29.2	-35.2	0	0	0	110.6
642	E	76.6	Confident	84.6	Confident	93 Å²	93	67.7 Å²	67.7	44%	0.435	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-73.2	139.9	173.2	-72.5	162.9	-155.4	0	0	109.7	F645 S647	E642-F645 WeakPolarHBondContact CB-O 3.5Å; E642-S647 WeakPolarHBondContact O-CB 2.97Å; E642-S647 PolarHBondContact O-OG 3.27Å
643	P	79.6	Confident	84.9	Confident	83 Å²	83	63.5 Å²	63.5	54%	0.539	33%	0.333	S	S	.	.	S	Bend	trans	-75.6	-38.6	-168.9	27.5	-33.9	0	0	0	112.9	R655	P643-R655 PolarHBondContact O-NH1 3.31Å; P643-R655 PolarHBondContact O-NH2 3.14Å
644	V	85.4	Confident	85.2	Confident	32 Å²	32	69 Å²	69	19%	0.194	35%	0.35	C	S	.	.	S	Bend	trans	-122.5	-68.1	-170.5	-179.5	0	0	0	0	110.3	I652 F663 F704	V644-I652 WeakPolarHBondContact O-CD1 3.42Å; V644-F663 HydrophobicContact CG1-CB 4.11Å; V644-F663 HydrophobicContact CG1-CG 4.36Å; V644-F704 HydrophobicContact CG1-CD2 4.07Å; V644-F704 HydrophobicContact CG1-CE2 3.7Å
645	F	88.3	Confident	85.6	Confident	51 Å²	51	68.7 Å²	68.7	22%	0.224	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	155.5	169.5	-66.5	-100.4	0	0	0	109.9	E642 S647 F663 T700 L703 F704	E642-F645 WeakPolarHBondContact CB-O 3.5Å; F645-S647 PolarHBondContact O-N 2.78Å; F645-F663 HydrophobicContact CE2-CE2 4.31Å; F645-F663 HydrophobicContact CE2-CZ 4.33Å; F645-F663 HydrophobicContact CZ-CD1 4.49Å; F645-F663 AromaticContact CZ-CE1 3.92Å; F645-F663 HydrophobicContact CZ-CE1 3.92Å; F645-F663 HydrophobicContact CZ-CE2 4.13Å; F645-F663 AromaticContact CZ-CZ 3.74Å; F645-F663 HydrophobicContact CZ-CZ 3.74Å; F645-T700 HydrophobicContact CE1-CG2 4.23Å; F645-T700 HydrophobicContact CZ-CG2 3.77Å; F645-L703 HydrophobicContact CE1-CB 4.36Å; F645-L703 HydrophobicContact CE1-CD2 4.34Å; F645-L703 HydrophobicContact CE1-CG 4.26Å; F645-F704 HydrophobicContact CD1-CB 4.41Å; F645-F704 HydrophobicContact CD1-CD2 4.47Å; F645-F704 HydrophobicContact CE1-CB 3.72Å; F645-F704 HydrophobicContact CE1-CD2 4.29Å; F645-F704 HydrophobicContact CE2-CD2 4.48Å; F645-F704 HydrophobicContact CZ-CB 4.01Å; F645-F704 HydrophobicContact CZ-CD2 4.26Å
646	G	84.2	Confident	86	Confident	31 Å²	31	63.8 Å²	63.8	32%	0.32	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-7.2	-179.9	0	0	0	0	0	116.8	E707	G646-E707 WeakPolarHBondContact CA-O 3.13Å
647	S	86.6	Confident	86.3	Confident	7 Å²	7	68.4 Å²	68.4	5%	0.049	34%	0.343	C	S	.	.	S	Bend	trans	-94.1	168.2	-170.8	-130.2	0	0	0	0	113.8	E642 F645 Q709	E642-S647 WeakPolarHBondContact O-CB 2.97Å; E642-S647 PolarHBondContact O-OG 3.27Å; F645-S647 PolarHBondContact O-N 2.78Å; S647-Q709 WeakPolarHBondContact O-CB 3.3Å; S647-Q709 PolarHBondContact O-N 3.23Å
648	S	90.7	Very high	86.9	Confident	20 Å²	20	68.6 Å²	68.6	14%	0.14	34%	0.338	C	S	.	.			trans	-73.1	137.1	168.4	165.5	0	0	0	0	110.3	I650 E651 I652 E710	S648-I650 PolarHBondContact O-N 2.72Å; S648-I650 PolarHBondContact OG-N 3.4Å; S648-E651 PolarHBondContact O-N 3.02Å; S648-E651 VanDerWaalsContact O-N 3.12Å; S648-I652 WeakPolarHBondContact O-CG1 3.43Å; S648-I652 PolarHBondContact O-N 2.74Å; S648-I652 VanDerWaalsContact O-N 3.1Å; S648-E710 VanDerWaalsContact CB-OE1 3.25Å; S648-E710 WeakPolarHBondContact CB-OE1 3.36Å; S648-E710 PolarHBondContact OG-OE1 3.17Å
649	L	92.6	Very high	87.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-36.8	178.1	-176.7	60.9	0	0	0	111.9	C653 P661 L708 L712 P747 H748 T751	L649-C653 WeakPolarHBondContact O-CB 3.48Å; L649-C653 PolarHBondContact O-N 3.03Å; L649-C653 VanDerWaalsContact O-N 3.14Å; L649-C653 PolarHBondContact O-SG 2.9Å; L649-P661 HydrophobicContact CD1-CG 3.4Å; L649-P661 VanDerWaalsContact CD1-CG 3.4Å; L649-L708 HydrophobicContact CB-CD2 4.48Å; L649-L712 HydrophobicContact CD2-CD1 3.57Å; L649-P747 HydrophobicContact CG-CB 4.32Å; L649-H748 HydrophobicContact CD2-CB 4.37Å; L649-T751 HydrophobicContact CD1-CG2 4.39Å
650	I	92.4	Very high	88.1	Confident	77 Å²	77	63.2 Å²	63.2	40%	0.395	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-42.5	178.3	-57.3	176.6	0	0	0	110.6	S648 R654 P747	S648-I650 PolarHBondContact O-N 2.72Å; S648-I650 PolarHBondContact OG-N 3.4Å; I650-R654 VanDerWaalsContact O-CB 3.23Å; I650-R654 WeakPolarHBondContact O-CB 3.47Å; I650-R654 PolarHBondContact O-N 3.31Å; I650-P747 HydrophobicContact CG1-CG 4.33Å
651	E	90.7	Very high	89.1	Confident	69 Å²	69	56.3 Å²	56.3	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-37.9	-179.3	176.8	57.6	-165.7	0	0	112.7	S648 R654 R655	S648-E651 PolarHBondContact O-N 3.02Å; S648-E651 VanDerWaalsContact O-N 3.12Å; E651-R654 IonicContact OE1-CZ 2.75Å; E651-R654 IonicContact OE1-NE 3.71Å; E651-R654 IonicContact OE1-NH2 3.74Å; E651-R654 PolarHBondContact OE1-NH2 3.43Å; E651-R654 IonicContact OE2-CZ 3.07Å; E651-R654 VanDerWaalsContact OE2-CZ 3.26Å; E651-R654 IonicContact OE2-NE 2.62Å; E651-R654 PolarHBondContact OE2-NE 2.93Å; E651-R654 IonicContact OE2-NH2 3.17Å; E651-R654 PolarHBondContact OE2-NH2 3.42Å; E651-R655 WeakPolarHBondContact O-CB 3.46Å; E651-R655 PolarHBondContact O-N 2.82Å
652	I	92.8	Very high	90.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-54.8	173.8	-60.2	163.2	0	0	0	109.7	V644 S648 R654 R655 E656 P661 F704 L708	V644-I652 WeakPolarHBondContact O-CD1 3.42Å; S648-I652 WeakPolarHBondContact O-CG1 3.43Å; S648-I652 PolarHBondContact O-N 2.74Å; S648-I652 VanDerWaalsContact O-N 3.1Å; I652-R654 PolarHBondContact O-N 2.9Å; I652-R655 PolarHBondContact O-N 2.72Å; I652-E656 WeakPolarHBondContact CG2-OE1 3.49Å; I652-E656 WeakPolarHBondContact O-CB 3.38Å; I652-E656 PolarHBondContact O-N 3.23Å; I652-P661 HydrophobicContact CG2-CB 3.85Å; I652-P661 HydrophobicContact CG2-CG 4.05Å; I652-F704 HydrophobicContact CD1-CE2 3.9Å; I652-F704 HydrophobicContact CD1-CZ 3.88Å; I652-L708 HydrophobicContact CD1-CD2 3.99Å
653	C	93.9	Very high	90.8	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-44.1	178.8	-77.5	0	0	0	0	112.5	L649 R655 E656 K657 S658 P747	L649-C653 WeakPolarHBondContact O-CB 3.48Å; L649-C653 PolarHBondContact O-N 3.03Å; L649-C653 VanDerWaalsContact O-N 3.14Å; L649-C653 PolarHBondContact O-SG 2.9Å; C653-R655 PolarHBondContact O-N 3.44Å; C653-E656 PolarHBondContact O-N 3.3Å; C653-K657 PolarHBondContact O-N 2.93Å; C653-S658 CarbonylContact C-O 3.54Å; C653-S658 WeakPolarHBondContact CA-O 3.4Å; C653-S658 WeakPolarHBondContact CB-O 3.19Å; C653-S658 PolarHBondContact O-N 2.97Å; C653-S658 VanDerWaalsContact O-N 3.1Å; C653-S658 VanDerWaalsContact O-O 3.11Å; C653-P747 HydrophobicContact CB-CB 4.19Å; C653-P747 HydrophobicContact CB-CG 4.39Å
654	R	92.8	Very high	91.6	Very high	165 Å²	165	52.1 Å²	52.1	62%	0.623	25%	0.252	S	S	*	.	H	α-helix	trans	-59.7	-45.7	176.7	-171.4	-169.8	71.3	79.2	2.6	112.3	I650 E651 I652	I650-R654 VanDerWaalsContact O-CB 3.23Å; I650-R654 WeakPolarHBondContact O-CB 3.47Å; I650-R654 PolarHBondContact O-N 3.31Å; E651-R654 IonicContact OE1-CZ 2.75Å; E651-R654 IonicContact OE1-NE 3.71Å; E651-R654 IonicContact OE1-NH2 3.74Å; E651-R654 PolarHBondContact OE1-NH2 3.43Å; E651-R654 IonicContact OE2-CZ 3.07Å; E651-R654 VanDerWaalsContact OE2-CZ 3.26Å; E651-R654 IonicContact OE2-NE 2.62Å; E651-R654 PolarHBondContact OE2-NE 2.93Å; E651-R654 IonicContact OE2-NH2 3.17Å; E651-R654 PolarHBondContact OE2-NH2 3.42Å; I652-R654 PolarHBondContact O-N 2.9Å
655	R	91.1	Very high	91.9	Very high	100 Å²	100	52.5 Å²	52.5	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-70.2	-38.2	178.9	-174.4	-168.9	61.6	-113.3	-5.8	112.1	P643 E651 I652 C653 K657	P643-R655 PolarHBondContact O-NH1 3.31Å; P643-R655 PolarHBondContact O-NH2 3.14Å; E651-R655 WeakPolarHBondContact O-CB 3.46Å; E651-R655 PolarHBondContact O-N 2.82Å; I652-R655 PolarHBondContact O-N 2.72Å; C653-R655 PolarHBondContact O-N 3.44Å; R655-K657 VanDerWaalsContact C-N 3.26Å; R655-K657 PolarHBondContact O-N 3.31Å
656	E	92.7	Very high	92	Very high	32 Å²	32	54 Å²	54	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-81.9	-3	-177.4	-73.7	169.4	-153.7	0	0	114	I652 C653 S658 K662	I652-E656 WeakPolarHBondContact CG2-OE1 3.49Å; I652-E656 WeakPolarHBondContact O-CB 3.38Å; I652-E656 PolarHBondContact O-N 3.23Å; C653-E656 PolarHBondContact O-N 3.3Å; E656-S658 VanDerWaalsContact C-N 3.29Å; E656-S658 PolarHBondContact O-N 3.49Å; E656-K662 HydrophobicContact CB-CD 4.37Å; E656-K662 HydrophobicContact CB-CG 4.45Å; E656-K662 WeakPolarHBondContact O-CE 3.47Å; E656-K662 PolarHBondContact O-NZ 3.1Å; E656-K662 PolarHBondContact OE2-N 3.38Å
657	K	92.7	Very high	92.3	Very high	204 Å²	204	53 Å²	53	89%	0.887	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	43.9	-174.4	-60.4	-172.8	178.8	-175	0	112.3	C653 R655	C653-K657 PolarHBondContact O-N 2.93Å; R655-K657 VanDerWaalsContact C-N 3.26Å; R655-K657 PolarHBondContact O-N 3.31Å
658	S	93.3	Very high	92.6	Very high	45 Å²	45	53 Å²	53	32%	0.315	26%	0.259	S	S	.	.	S	Bend	trans	-137.3	157.7	-177	-179.2	0	0	0	0	110.8	C653 E656 V660	C653-S658 CarbonylContact C-O 3.54Å; C653-S658 WeakPolarHBondContact CA-O 3.4Å; C653-S658 WeakPolarHBondContact CB-O 3.19Å; C653-S658 PolarHBondContact O-N 2.97Å; C653-S658 VanDerWaalsContact O-N 3.1Å; C653-S658 VanDerWaalsContact O-O 3.11Å; E656-S658 VanDerWaalsContact C-N 3.29Å; E656-S658 PolarHBondContact O-N 3.49Å; S658-V660 VanDerWaalsContact CB-O 3.31Å; S658-V660 WeakPolarHBondContact CB-O 3.37Å; S658-V660 PolarHBondContact OG-N 2.91Å; S658-V660 VanDerWaalsContact OG-N 3.16Å; S658-V660 PolarHBondContact OG-O 3.3Å
659	T	93.8	Very high	92.6	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.411	28%	0.276	S	S	.	.	S	Bend	trans	-87.8	-9.8	169.9	61	0	0	0	0	113.3	V746 P747 N750	T659-V746 HydrophobicContact CG2-CG1 4.02Å; T659-P747 WeakPolarHBondContact O-CA 3.42Å; T659-N750 WeakPolarHBondContact CB-ND2 3.14Å; T659-N750 PolarHBondContact OG1-ND2 2.92Å
660	V	95.2	Very high	92.4	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.097	29%	0.288	C	S	.	.	S	Bend	trans	-132.7	134.8	176.7	-177.5	0	0	0	0	108.9	S658 K662 V664 N750 T751 V754	S658-V660 VanDerWaalsContact CB-O 3.31Å; S658-V660 WeakPolarHBondContact CB-O 3.37Å; S658-V660 PolarHBondContact OG-N 2.91Å; S658-V660 VanDerWaalsContact OG-N 3.16Å; S658-V660 PolarHBondContact OG-O 3.3Å; V660-K662 PolarHBondContact O-N 2.95Å; V660-V664 HydrophobicContact CG1-CB 4.35Å; V660-V664 HydrophobicContact CG1-CG1 4.31Å; V660-N750 HydrophobicContact CG2-CB 3.74Å; V660-T751 HydrophobicContact CG1-CG2 4.36Å; V660-V754 HydrophobicContact CG1-CG2 4.45Å; V660-V754 HydrophobicContact CG2-CG2 4.1Å
661	P	94.6	Very high	92.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.			trans	-56.8	134.3	178.1	-26.7	36	0	0	0	112	L649 I652 F663 V664 A665 F704 T751	L649-P661 HydrophobicContact CD1-CG 3.4Å; L649-P661 VanDerWaalsContact CD1-CG 3.4Å; I652-P661 HydrophobicContact CG2-CB 3.85Å; I652-P661 HydrophobicContact CG2-CG 4.05Å; P661-F663 PolarHBondContact O-N 3.29Å; P661-V664 HydrophobicContact CB-CB 4.42Å; P661-V664 HydrophobicContact CB-CG2 4.07Å; P661-V664 HydrophobicContact CG-CG2 4.27Å; P661-V664 PolarHBondContact O-N 3.1Å; P661-A665 PolarHBondContact O-N 2.79Å; P661-F704 HydrophobicContact CB-CZ 4.05Å; P661-F704 HydrophobicContact CG-CE1 4.26Å; P661-F704 HydrophobicContact CG-CZ 3.88Å; P661-T751 VanDerWaalsContact CD-OG1 3.31Å; P661-T751 WeakPolarHBondContact CD-OG1 3.4Å
662	K	92.2	Very high	92.4	Very high	124 Å²	124	52.9 Å²	52.9	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-34.7	-179.5	-66.6	-179.6	-179.5	-179.7	0	111.4	E656 V660 V664 A665 V666	E656-K662 HydrophobicContact CB-CD 4.37Å; E656-K662 HydrophobicContact CB-CG 4.45Å; E656-K662 WeakPolarHBondContact O-CE 3.47Å; E656-K662 PolarHBondContact O-NZ 3.1Å; E656-K662 PolarHBondContact OE2-N 3.38Å; V660-K662 PolarHBondContact O-N 2.95Å; K662-V664 VanDerWaalsContact C-N 3.35Å; K662-V664 PolarHBondContact O-N 2.92Å; K662-A665 PolarHBondContact O-N 3.43Å; K662-V666 WeakPolarHBondContact O-CB 3.48Å; K662-V666 WeakPolarHBondContact O-CG2 3.48Å; K662-V666 PolarHBondContact O-N 3.47Å
663	F	92.5	Very high	92.2	Very high	51 Å²	51	58.8 Å²	58.8	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-55.8	-44.5	172.5	175	-95.7	0	0	0	113.1	V644 F645 P661 C667 T700 L701 F704	V644-F663 HydrophobicContact CG1-CB 4.11Å; V644-F663 HydrophobicContact CG1-CG 4.36Å; F645-F663 HydrophobicContact CE2-CE2 4.31Å; F645-F663 HydrophobicContact CE2-CZ 4.33Å; F645-F663 HydrophobicContact CZ-CD1 4.49Å; F645-F663 AromaticContact CZ-CE1 3.92Å; F645-F663 HydrophobicContact CZ-CE1 3.92Å; F645-F663 HydrophobicContact CZ-CE2 4.13Å; F645-F663 AromaticContact CZ-CZ 3.74Å; F645-F663 HydrophobicContact CZ-CZ 3.74Å; P661-F663 PolarHBondContact O-N 3.29Å; F663-C667 WeakPolarHBondContact CE2-SG 3.44Å; F663-C667 WeakPolarHBondContact CZ-SG 3.36Å; F663-C667 WeakPolarHBondContact O-CB 3.36Å; F663-C667 PolarHBondContact O-N 3.47Å; F663-C667 PolarHBondContact O-SG 3.14Å; F663-T700 HydrophobicContact CE2-CG2 4.34Å; F663-T700 HydrophobicContact CZ-CG2 3.82Å; F663-L701 HydrophobicContact CE1-CD1 4.25Å; F663-F704 HydrophobicContact CD1-CB 4.1Å; F663-F704 HydrophobicContact CD1-CD1 4.34Å; F663-F704 AromaticContact CD1-CD2 3.84Å; F663-F704 HydrophobicContact CD1-CD2 3.84Å; F663-F704 HydrophobicContact CD1-CE2 4.38Å; F663-F704 AromaticContact CD1-CG 3.82Å; F663-F704 HydrophobicContact CD1-CG 3.82Å; F663-F704 HydrophobicContact CE1-CB 3.62Å; F663-F704 HydrophobicContact CE1-CD2 4.19Å; F663-F704 AromaticContact CE1-CG 3.88Å; F663-F704 HydrophobicContact CE1-CG 3.88Å
664	V	94.5	Very high	91.7	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-50.5	179.4	171.8	0	0	0	0	109.9	V660 P661 K662 V666 C667 T668 L701 F704 F705 T751	V660-V664 HydrophobicContact CG1-CB 4.35Å; V660-V664 HydrophobicContact CG1-CG1 4.31Å; P661-V664 HydrophobicContact CB-CB 4.42Å; P661-V664 HydrophobicContact CB-CG2 4.07Å; P661-V664 HydrophobicContact CG-CG2 4.27Å; P661-V664 PolarHBondContact O-N 3.1Å; K662-V664 VanDerWaalsContact C-N 3.35Å; K662-V664 PolarHBondContact O-N 2.92Å; V664-V666 PolarHBondContact O-N 3.38Å; V664-C667 PolarHBondContact O-N 2.79Å; V664-T668 HydrophobicContact CG1-CG2 4.43Å; V664-T668 PolarHBondContact O-N 3.24Å; V664-T668 PolarHBondContact O-OG1 3.38Å; V664-T668 VanDerWaalsContact O-OG1 3.13Å; V664-L701 HydrophobicContact CB-CD1 4.43Å; V664-L701 HydrophobicContact CG1-CD1 4.32Å; V664-L701 HydrophobicContact CG2-CD1 4.15Å; V664-F704 HydrophobicContact CG2-CD1 3.66Å; V664-F704 HydrophobicContact CG2-CE1 3.38Å; V664-F704 HydrophobicContact CG2-CZ 4.19Å; V664-F705 HydrophobicContact CG1-CZ 4.06Å; V664-F705 HydrophobicContact CG2-CE1 4.33Å; V664-F705 HydrophobicContact CG2-CZ 3.84Å; V664-T751 HydrophobicContact CG1-CG2 4.41Å; V664-T751 HydrophobicContact CG2-CG2 4.41Å
665	A	92.3	Very high	91	Very high	39 Å²	39	59.1 Å²	59.1	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-44.6	-178.9	0	0	0	0	0	112.6	P661 K662 T668 S669	P661-A665 PolarHBondContact O-N 2.79Å; K662-A665 PolarHBondContact O-N 3.43Å; A665-T668 PolarHBondContact O-N 3.24Å; A665-T668 PolarHBondContact O-OG1 2.7Å; A665-S669 WeakPolarHBondContact O-CB 3.21Å; A665-S669 PolarHBondContact O-N 3.22Å; A665-S669 PolarHBondContact O-OG 2.91Å; A665-S669 VanDerWaalsContact O-OG 3.07Å
666	V	90.1	Very high	90.7	Very high	83 Å²	83	56.2 Å²	56.2	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-44.1	176.4	170.1	0	0	0	0	111.2	K662 V664 S669 L670	K662-V666 WeakPolarHBondContact O-CB 3.48Å; K662-V666 WeakPolarHBondContact O-CG2 3.48Å; K662-V666 PolarHBondContact O-N 3.47Å; V664-V666 PolarHBondContact O-N 3.38Å; V666-S669 PolarHBondContact O-N 2.85Å; V666-L670 HydrophobicContact CG1-CD1 3.76Å; V666-L670 HydrophobicContact CG1-CG 4.38Å; V666-L670 WeakPolarHBondContact O-CB 3.45Å; V666-L670 WeakPolarHBondContact O-CG 3.45Å; V666-L670 PolarHBondContact O-N 3.19Å
667	C	92	Very high	90.2	Very high	9 Å²	9	60 Å²	60	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-45	178.2	-68.8	0	0	0	0	112.2	F663 V664 S669 L670 I671 I697 L701	F663-C667 WeakPolarHBondContact CE2-SG 3.44Å; F663-C667 WeakPolarHBondContact CZ-SG 3.36Å; F663-C667 WeakPolarHBondContact O-CB 3.36Å; F663-C667 PolarHBondContact O-N 3.47Å; F663-C667 PolarHBondContact O-SG 3.14Å; V664-C667 PolarHBondContact O-N 2.79Å; C667-S669 PolarHBondContact O-N 2.84Å; C667-L670 PolarHBondContact O-N 2.98Å; C667-I671 WeakPolarHBondContact O-CB 3.48Å; C667-I671 VanDerWaalsContact O-CD1 3.28Å; C667-I671 WeakPolarHBondContact O-CD1 3.34Å; C667-I671 WeakPolarHBondContact O-CG1 3.16Å; C667-I671 PolarHBondContact O-N 2.95Å; C667-I697 HydrophobicContact CB-CG2 3.97Å; C667-L701 HydrophobicContact CB-CB 4.18Å; C667-L701 HydrophobicContact CB-CD1 4.11Å; C667-L701 HydrophobicContact CB-CD2 3.87Å; C667-L701 HydrophobicContact CB-CG 4.28Å
668	T	92.3	Very high	89.6	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.9	49.5	0	0	0	0	111.7	V664 A665 I671 E672 L701 H758	V664-T668 HydrophobicContact CG1-CG2 4.43Å; V664-T668 PolarHBondContact O-N 3.24Å; V664-T668 PolarHBondContact O-OG1 3.38Å; V664-T668 VanDerWaalsContact O-OG1 3.13Å; A665-T668 PolarHBondContact O-N 3.24Å; A665-T668 PolarHBondContact O-OG1 2.7Å; T668-I671 PolarHBondContact O-N 2.55Å; T668-E672 WeakPolarHBondContact O-CB 3.4Å; T668-E672 WeakPolarHBondContact O-CG 3.23Å; T668-E672 PolarHBondContact O-N 2.93Å; T668-L701 HydrophobicContact CG2-CD2 3.94Å; T668-H758 HydrophobicContact CG2-CB 3.73Å; T668-H758 PolarHBondContact O-ND1 2.87Å
669	S	90.4	Very high	88.9	Confident	71 Å²	71	52.7 Å²	52.7	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-44.8	177	-61.2	0	0	0	0	112.6	A665 V666 C667 I671 E672 E673	A665-S669 WeakPolarHBondContact O-CB 3.21Å; A665-S669 PolarHBondContact O-N 3.22Å; A665-S669 PolarHBondContact O-OG 2.91Å; A665-S669 VanDerWaalsContact O-OG 3.07Å; V666-S669 PolarHBondContact O-N 2.85Å; C667-S669 PolarHBondContact O-N 2.84Å; S669-I671 VanDerWaalsContact C-N 3.32Å; S669-I671 PolarHBondContact O-N 3.19Å; S669-E672 PolarHBondContact O-N 2.83Å; S669-E673 WeakPolarHBondContact O-CB 3.46Å; S669-E673 PolarHBondContact O-N 2.73Å
670	L	89	Confident	87.8	Confident	50 Å²	50	49.9 Å²	49.9	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-34.7	177.9	-72.5	171.4	0	0	0	112.8	V666 C667 R674 I697	V666-L670 HydrophobicContact CG1-CD1 3.76Å; V666-L670 HydrophobicContact CG1-CG 4.38Å; V666-L670 WeakPolarHBondContact O-CB 3.45Å; V666-L670 WeakPolarHBondContact O-CG 3.45Å; V666-L670 PolarHBondContact O-N 3.19Å; C667-L670 PolarHBondContact O-N 2.98Å; L670-R674 PolarHBondContact O-N 3.06Å; L670-R674 VanDerWaalsContact O-N 3.11Å; L670-I697 HydrophobicContact CB-CD1 4.5Å
671	I	91.4	Very high	86.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-36.5	174.4	-65	161	0	0	0	110.7	C667 T668 S669 G675 L676 L681 Y682 I694 I697 T698 L701 H758	C667-I671 WeakPolarHBondContact O-CB 3.48Å; C667-I671 VanDerWaalsContact O-CD1 3.28Å; C667-I671 WeakPolarHBondContact O-CD1 3.34Å; C667-I671 WeakPolarHBondContact O-CG1 3.16Å; C667-I671 PolarHBondContact O-N 2.95Å; T668-I671 PolarHBondContact O-N 2.55Å; S669-I671 VanDerWaalsContact C-N 3.32Å; S669-I671 PolarHBondContact O-N 3.19Å; I671-G675 CarbonylContact O-C 3.49Å; I671-G675 WeakPolarHBondContact O-CA 3.48Å; I671-G675 PolarHBondContact O-N 3.03Å; I671-L676 PolarHBondContact O-N 3.25Å; I671-L681 HydrophobicContact CG2-CD1 4.47Å; I671-L681 HydrophobicContact CG2-CD2 3.87Å; I671-Y682 WeakPolarHBondContact CD1-OH 3.25Å; I671-I694 HydrophobicContact CB-CD1 4.09Å; I671-I694 HydrophobicContact CG1-CD1 3.76Å; I671-I694 HydrophobicContact CG2-CD1 4.15Å; I671-I697 HydrophobicContact CD1-CG2 3.92Å; I671-I697 HydrophobicContact CG1-CG2 3.8Å; I671-T698 HydrophobicContact CD1-CG2 3.65Å; I671-T698 HydrophobicContact CG1-CG2 3.9Å; I671-T698 HydrophobicContact CG2-CG2 4.17Å; I671-L701 HydrophobicContact CD1-CD2 3.88Å; I671-H758 VanDerWaalsContact CG2-CE1 3.44Å; I671-H758 WeakPolarHBondContact CG2-CE1 3.17Å
672	E	91.2	Very high	86.1	Confident	43 Å²	43	49.1 Å²	49.1	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-38.5	175.6	-76.9	170.4	-150.4	0	0	112.9	T668 S669 L676 H758 R761	T668-E672 WeakPolarHBondContact O-CB 3.4Å; T668-E672 WeakPolarHBondContact O-CG 3.23Å; T668-E672 PolarHBondContact O-N 2.93Å; S669-E672 PolarHBondContact O-N 2.83Å; E672-L676 HydrophobicContact CB-CD1 4.41Å; E672-L676 HydrophobicContact CG-CD1 4.44Å; E672-L676 HydrophobicContact CG-CD2 4.16Å; E672-L676 WeakPolarHBondContact O-CD1 3.43Å; E672-H758 IonicContact OE1-CE1 2.65Å; E672-H758 IonicContact OE1-CG 2.64Å; E672-H758 IonicContact OE1-ND1 3.66Å; E672-H758 PolarHBondContact OE1-ND1 2.67Å; E672-R761 WeakPolarHBondContact OE1-CD 3.41Å; E672-R761 IonicContact OE1-NH1 3.73Å; E672-R761 VanDerWaalsContact OE2-CD 3.22Å; E672-R761 WeakPolarHBondContact OE2-CD 3.33Å; E672-R761 IonicContact OE2-CZ 3.78Å; E672-R761 IonicContact OE2-NE 2.68Å; E672-R761 IonicContact OE2-NH1 2.67Å; E672-R761 PolarHBondContact OE2-NH1 2.96Å
673	E	87.7	Confident	84.4	Confident	124 Å²	124	48 Å²	48	58%	0.579	25%	0.246	S	C	*	.	H	α-helix	trans	-67.7	-39.9	177.3	-176.2	-166.8	131.1	0	0	112.9	S669	S669-E673 WeakPolarHBondContact O-CB 3.46Å; S669-E673 PolarHBondContact O-N 2.73Å
674	R	83.7	Confident	82.5	Confident	176 Å²	176	48.6 Å²	48.6	66%	0.664	25%	0.248	S	C	*	.	H	α-helix	trans	-124.1	-14.5	-165.4	-55.2	-176.6	-172.9	-170.4	-0.9	115.9	L670	L670-R674 PolarHBondContact O-N 3.06Å; L670-R674 VanDerWaalsContact O-N 3.11Å
675	G	79.4	Confident	80.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-7.6	-160.8	0	0	0	0	0	116.9	I671 E677 T678 L681	I671-G675 CarbonylContact O-C 3.49Å; I671-G675 WeakPolarHBondContact O-CA 3.48Å; I671-G675 PolarHBondContact O-N 3.03Å; G675-E677 PolarHBondContact O-N 3.35Å; G675-T678 PolarHBondContact O-N 3.25Å; G675-T678 VanDerWaalsContact O-N 3.15Å; G675-T678 PolarHBondContact O-OG1 3.42Å; G675-L681 WeakPolarHBondContact O-CD1 3.43Å; G675-L681 WeakPolarHBondContact O-CD2 3.45Å
676	L	84.4	Confident	77.9	Confident	40 Å²	40	54 Å²	54	21%	0.209	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.9	-175.6	-67.4	178.1	0	0	0	113.6	I671 E672 V762 N765 N769	I671-L676 PolarHBondContact O-N 3.25Å; E672-L676 HydrophobicContact CB-CD1 4.41Å; E672-L676 HydrophobicContact CG-CD1 4.44Å; E672-L676 HydrophobicContact CG-CD2 4.16Å; E672-L676 WeakPolarHBondContact O-CD1 3.43Å; L676-V762 HydrophobicContact CD2-CG2 3.86Å; L676-N765 VanDerWaalsContact C-ND2 3.31Å; L676-N765 HydrophobicContact CB-CB 4.48Å; L676-N765 PolarHBondContact O-ND2 3.36Å; L676-N769 WeakPolarHBondContact O-CB 3.35Å; L676-N769 PolarHBondContact O-ND2 3.27Å
677	E	81.8	Confident	75.7	Confident	112 Å²	112	56.3 Å²	56.3	52%	0.523	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.2	-176.6	-43.5	-125.1	128.8	0	0	112.9	G675 D679 K768	G675-E677 PolarHBondContact O-N 3.35Å; E677-D679 PolarHBondContact O-N 3.42Å; E677-K768 HydrophobicContact CB-CD 4.2Å; E677-K768 HydrophobicContact CG-CD 4.21Å; E677-K768 VanDerWaalsContact OE1-CD 3.23Å; E677-K768 WeakPolarHBondContact OE1-CD 3.21Å; E677-K768 WeakPolarHBondContact OE1-CE 3.16Å; E677-K768 IonicContact OE1-NZ 2.67Å; E677-K768 PolarHBondContact OE1-NZ 3.21Å; E677-K768 VanDerWaalsContact OE2-CD 3.31Å; E677-K768 WeakPolarHBondContact OE2-CD 3.49Å; E677-K768 IonicContact OE2-NZ 2.68Å; E677-K768 PolarHBondContact OE2-NZ 2.79Å
678	T	80.2	Confident	73.2	Confident	30 Å²	30	61.4 Å²	61.4	18%	0.184	30%	0.303	C	S	.	.	S	Bend	trans	-69.6	123.2	-171.7	-47.2	0	0	0	0	112	G675 G680 L681 I694 H695 N769	G675-T678 PolarHBondContact O-N 3.25Å; G675-T678 VanDerWaalsContact O-N 3.15Å; G675-T678 PolarHBondContact O-OG1 3.42Å; T678-G680 PolarHBondContact O-N 2.74Å; T678-L681 PolarHBondContact O-N 2.84Å; T678-I694 HydrophobicContact CG2-CG2 4Å; T678-H695 WeakPolarHBondContact CG2-NE2 3.35Å; T678-N769 VanDerWaalsContact O-CB 3.24Å; T678-N769 WeakPolarHBondContact O-CB 3.15Å
679	D	78.6	Confident	70.7	Confident	65 Å²	65	67.7 Å²	67.7	35%	0.348	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	131.8	-179.3	-175.1	36.6	0	0	0	112.9	E677 L681 R770	E677-D679 PolarHBondContact O-N 3.42Å; D679-L681 VanDerWaalsContact C-N 3.32Å; D679-L681 PolarHBondContact O-N 2.97Å; D679-R770 WeakPolarHBondContact OD1-CD 3.32Å; D679-R770 WeakPolarHBondContact OD1-CG 3.35Å; D679-R770 IonicContact OD1-CZ 3.74Å; D679-R770 IonicContact OD1-NE 3.72Å; D679-R770 IonicContact OD1-NH1 3.15Å; D679-R770 PolarHBondContact OD1-NH1 2.91Å; D679-R770 VanDerWaalsContact OD1-NH1 3.15Å; D679-R770 IonicContact OD2-CZ 3.85Å; D679-R770 IonicContact OD2-NH1 2.72Å; D679-R770 PolarHBondContact OD2-NH1 2.81Å
680	G	71.4	Confident	68.7	Low	7 Å²	7	71.8 Å²	71.8	7%	0.072	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	29	-178.5	0	0	0	0	0	113.9	T678 Y682 Q683 K684 N769	T678-G680 PolarHBondContact O-N 2.74Å; G680-Y682 PolarHBondContact O-N 3.33Å; G680-Q683 WeakPolarHBondContact O-CA 3.32Å; G680-Q683 PolarHBondContact O-N 2.91Å; G680-K684 WeakPolarHBondContact O-CB 3.35Å; G680-K684 PolarHBondContact O-N 3.17Å; G680-N769 PolarHBondContact N-O 2.81Å
681	L	76.3	Confident	66.9	Low	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	136	174.1	-163.4	71.4	0	0	0	110.8	I671 G675 T678 D679 Q683 I694 T698 V762 N769 M771	I671-L681 HydrophobicContact CG2-CD1 4.47Å; I671-L681 HydrophobicContact CG2-CD2 3.87Å; G675-L681 WeakPolarHBondContact O-CD1 3.43Å; G675-L681 WeakPolarHBondContact O-CD2 3.45Å; T678-L681 PolarHBondContact O-N 2.84Å; D679-L681 VanDerWaalsContact C-N 3.32Å; D679-L681 PolarHBondContact O-N 2.97Å; L681-Q683 PolarHBondContact O-N 3.42Å; L681-I694 HydrophobicContact CD1-CD1 4.36Å; L681-I694 HydrophobicContact CD1-CG1 3.72Å; L681-T698 HydrophobicContact CD1-CG2 3.63Å; L681-T698 HydrophobicContact CG-CG2 3.96Å; L681-V762 HydrophobicContact CD2-CB 4.48Å; L681-V762 HydrophobicContact CD2-CG1 3.84Å; L681-V762 HydrophobicContact CD2-CG2 3.79Å; L681-N769 HydrophobicContact CB-CB 4.43Å; L681-M771 HydrophobicContact CB-CG 4.38Å; L681-M771 WeakPolarHBondContact O-CE 3.43Å; L681-M771 WeakPolarHBondContact O-CG 3.47Å
682	Y	77.7	Confident	65.2	Low	1 Å²	1	76.7 Å²	76.7	0%	0.004	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-20	-170.5	-64.1	-78.5	0	0	0	118	I671 G680 T698 L701 K702 H758 L759 V762 L776 F780	I671-Y682 WeakPolarHBondContact CD1-OH 3.25Å; G680-Y682 PolarHBondContact O-N 3.33Å; Y682-T698 HydrophobicContact CD1-CG2 4.01Å; Y682-T698 HydrophobicContact CD2-CG2 4.18Å; Y682-T698 HydrophobicContact CE1-CG2 3.84Å; Y682-T698 HydrophobicContact CE2-CG2 4.02Å; Y682-T698 HydrophobicContact CG-CG2 4.2Å; Y682-L701 WeakPolarHBondContact OH-CD2 3.33Å; Y682-K702 HydrophobicContact CD1-CD 3.83Å; Y682-K702 HydrophobicContact CD1-CG 3.83Å; Y682-K702 HydrophobicContact CE1-CG 4.26Å; Y682-K702 PolarHBondContact O-NZ 3.08Å; Y682-H758 AromaticContact CE2-NE2 3.61Å; Y682-H758 AromaticContact CZ-NE2 3.61Å; Y682-H758 PolarHBondContact OH-CD2 2.7Å; Y682-H758 PolarHBondContact OH-NE2 2.88Å; Y682-L759 HydrophobicContact CD2-CD2 4.49Å; Y682-L759 HydrophobicContact CE2-CD2 4.14Å; Y682-V762 HydrophobicContact CE2-CG2 4.2Å; Y682-L776 HydrophobicContact CD2-CD2 4.19Å; Y682-F780 AromaticContact CD1-CE2 3.78Å; Y682-F780 HydrophobicContact CD1-CE2 3.78Å; Y682-F780 AromaticContact CD1-CZ 3.73Å; Y682-F780 HydrophobicContact CD1-CZ 3.73Å; Y682-F780 HydrophobicContact CD2-CE2 4.44Å; Y682-F780 HydrophobicContact CE1-CE2 4.03Å; Y682-F780 AromaticContact CE1-CZ 3.58Å; Y682-F780 HydrophobicContact CE1-CZ 3.58Å; Y682-F780 AromaticContact CG-CE2 3.98Å; Y682-F780 HydrophobicContact CG-CE2 3.98Å; Y682-F780 HydrophobicContact CG-CZ 4.37Å
683	Q	54.8	Low	64.2	Low	101 Å²	101	80 Å²	80	47%	0.472	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-48.5	169.7	-86.9	179.2	3.9	0	0	112	G680 L681 Y685 M771 V779	G680-Q683 WeakPolarHBondContact O-CA 3.32Å; G680-Q683 PolarHBondContact O-N 2.91Å; L681-Q683 PolarHBondContact O-N 3.42Å; Q683-Y685 PolarHBondContact O-N 2.91Å; Q683-M771 HydrophobicContact CB-SD 4.12Å; Q683-M771 HydrophobicContact CG-CE 3.81Å; Q683-M771 HydrophobicContact CG-SD 3.56Å; Q683-M771 VanDerWaalsContact CG-SD 3.56Å; Q683-V779 HydrophobicContact CG-CG2 4.28Å
684	K	54	Low	64.1	Low	63 Å²	63	75.2 Å²	75.2	27%	0.274	38%	0.375	S	S	.	.			trans	-79.3	100.6	-169.1	-166.2	-177.3	179.9	-160.5	0	111.2	G680 S686 E691 H695	G680-K684 WeakPolarHBondContact O-CB 3.35Å; G680-K684 PolarHBondContact O-N 3.17Å; K684-S686 VanDerWaalsContact C-N 3.28Å; K684-S686 WeakPolarHBondContact CE-OG 3.42Å; K684-S686 VanDerWaalsContact CG-OG 3.29Å; K684-S686 WeakPolarHBondContact CG-OG 3.43Å; K684-S686 PolarHBondContact O-N 2.87Å; K684-E691 IonicContact NZ-OE2 2.96Å; K684-E691 PolarHBondContact NZ-OE2 2.96Å; K684-H695 PolarHBondContact O-ND1 3.17Å; K684-H695 VanDerWaalsContact O-ND1 3.08Å
685	Y	50.6	Low	64.1	Low	107 Å²	107	67.3 Å²	67.3	42%	0.42	35%	0.345	S	S	.	.			trans	-87.9	58.3	164.9	-82.7	-73.3	0	0	0	110.2	N241 Q683 K702	N241-Y685 PolarHBondContact ND2-O 2.86Å; Q683-Y685 PolarHBondContact O-N 2.91Å; Y685-K702 WeakPolarHBondContact OH-CE 3.18Å; Y685-K702 PolarHBondContact OH-NZ 3.04Å
686	S	39.1	Very low	64.3	Low	44 Å²	44	71.5 Å²	71.5	31%	0.308	37%	0.371	S	S	.	.			trans	-78.8	128.1	-178.3	-83.4	0	0	0	0	112.4	K684 L688	K684-S686 VanDerWaalsContact C-N 3.28Å; K684-S686 WeakPolarHBondContact CE-OG 3.42Å; K684-S686 VanDerWaalsContact CG-OG 3.29Å; K684-S686 WeakPolarHBondContact CG-OG 3.43Å; K684-S686 PolarHBondContact O-N 2.87Å; S686-L688 PolarHBondContact O-N 2.8Å
687	L	43.2	Very low	64.5	Low	132 Å²	132	71.6 Å²	71.6	69%	0.691	37%	0.371	S	S	*	.			trans	-82.6	33	168.5	-66.4	170.4	0	0	0	111.9	N241	N241-L687 HydrophobicContact CB-CD1 4.18Å; N241-L687 WeakPolarHBondContact O-CD1 3.35Å
688	L	40.8	Very low	64.9	Low	116 Å²	116	66.3 Å²	66.3	61%	0.607	35%	0.346	S	S	*	.			trans	-96.1	109.3	-179.3	-66	172.9	0	0	0	108.2	S686 N690	S686-L688 PolarHBondContact O-N 2.8Å; L688-N690 PolarHBondContact O-N 3.35Å
689	I	40.2	Very low	65.3	Low	139 Å²	139	65.2 Å²	65.2	71%	0.713	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.1	-157	-70.4	169.2	0	0	0	114	S692	I689-S692 WeakPolarHBondContact O-CB 3.43Å
690	N	47.8	Very low	65.9	Low	157 Å²	157	64.2 Å²	64.2	84%	0.84	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-2	-170.3	-59.7	7.2	0	0	0	114.6	L688	L688-N690 PolarHBondContact O-N 3.35Å
691	E	50.4	Low	66.9	Low	110 Å²	110	63.9 Å²	63.9	51%	0.514	33%	0.334	S	S	.	.	S	Bend	trans	-118.5	25.2	166.2	-60.2	-178.3	142.9	0	0	110.1	K684 D693	K684-E691 IonicContact NZ-OE2 2.96Å; K684-E691 PolarHBondContact NZ-OE2 2.96Å; E691-D693 PolarHBondContact O-N 2.81Å
692	S	56.9	Low	67.7	Low	44 Å²	44	64.2 Å²	64.2	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-50.7	-150.1	48.2	0	0	0	0	115.6	I689 I694 H695 V696	I689-S692 WeakPolarHBondContact O-CB 3.43Å; S692-I694 PolarHBondContact O-N 2.95Å; S692-H695 PolarHBondContact O-N 2.82Å; S692-V696 WeakPolarHBondContact O-CG2 3.5Å; S692-V696 PolarHBondContact O-N 2.68Å; S692-V696 VanDerWaalsContact O-N 3.09Å
693	D	68.7	Low	68.3	Low	113 Å²	113	66.4 Å²	66.4	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-73	-35.1	-152.3	-70.5	12.2	0	0	0	112.6	E691 V696 I697	E691-D693 PolarHBondContact O-N 2.81Å; D693-V696 PolarHBondContact O-N 2.85Å; D693-I697 WeakPolarHBondContact O-CD1 3.13Å; D693-I697 WeakPolarHBondContact O-CG1 3.47Å; D693-I697 PolarHBondContact O-N 3.39Å
694	I	85.5	Confident	70.2	Confident	22 Å²	22	61.6 Å²	61.6	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-36.9	-179.6	-169.8	62.6	0	0	0	112.7	I671 T678 L681 S692 V696 I697 T698	I671-I694 HydrophobicContact CB-CD1 4.09Å; I671-I694 HydrophobicContact CG1-CD1 3.76Å; I671-I694 HydrophobicContact CG2-CD1 4.15Å; T678-I694 HydrophobicContact CG2-CG2 4Å; L681-I694 HydrophobicContact CD1-CD1 4.36Å; L681-I694 HydrophobicContact CD1-CG1 3.72Å; S692-I694 PolarHBondContact O-N 2.95Å; I694-V696 VanDerWaalsContact C-N 3.33Å; I694-I697 PolarHBondContact O-N 3.18Å; I694-T698 WeakPolarHBondContact O-CB 3.49Å; I694-T698 WeakPolarHBondContact O-CG2 3.25Å; I694-T698 PolarHBondContact O-N 2.86Å; I694-T698 PolarHBondContact O-OG1 2.68Å
695	H	84.1	Confident	72.1	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.046	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-30.3	174.3	-68.5	-63.2	0	0	0	111.6	T678 K684 S692 T698 G699	T678-H695 WeakPolarHBondContact CG2-NE2 3.35Å; K684-H695 PolarHBondContact O-ND1 3.17Å; K684-H695 VanDerWaalsContact O-ND1 3.08Å; S692-H695 PolarHBondContact O-N 2.82Å; H695-T698 WeakPolarHBondContact CA-OG1 3.2Å; H695-T698 PolarHBondContact O-OG1 2.99Å; H695-G699 WeakPolarHBondContact O-CA 3.37Å; H695-G699 PolarHBondContact O-N 3.36Å
696	V	84.5	Confident	74.1	Confident	88 Å²	88	59.6 Å²	59.6	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-69.8	-46.6	170.5	172.2	0	0	0	0	111.6	S692 D693 I694 G699 T700	S692-V696 WeakPolarHBondContact O-CG2 3.5Å; S692-V696 PolarHBondContact O-N 2.68Å; S692-V696 VanDerWaalsContact O-N 3.09Å; D693-V696 PolarHBondContact O-N 2.85Å; I694-V696 VanDerWaalsContact C-N 3.33Å; V696-G699 PolarHBondContact O-N 3.12Å; V696-T700 VanDerWaalsContact O-CB 3.3Å; V696-T700 WeakPolarHBondContact O-CB 3.48Å; V696-T700 PolarHBondContact O-N 2.74Å; V696-T700 PolarHBondContact O-OG1 3.07Å
697	I	87.9	Confident	76.5	Confident	42 Å²	42	61 Å²	61	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-49.5	179.9	-63.7	160.6	0	0	0	110.4	C667 L670 I671 D693 I694 G699 T700 L701	C667-I697 HydrophobicContact CB-CG2 3.97Å; L670-I697 HydrophobicContact CB-CD1 4.5Å; I671-I697 HydrophobicContact CD1-CG2 3.92Å; I671-I697 HydrophobicContact CG1-CG2 3.8Å; D693-I697 WeakPolarHBondContact O-CD1 3.13Å; D693-I697 WeakPolarHBondContact O-CG1 3.47Å; D693-I697 PolarHBondContact O-N 3.39Å; I694-I697 PolarHBondContact O-N 3.18Å; I697-G699 VanDerWaalsContact C-N 3.3Å; I697-G699 PolarHBondContact O-N 2.92Å; I697-T700 PolarHBondContact O-N 3.14Å; I697-T700 VanDerWaalsContact O-N 3.16Å; I697-L701 WeakPolarHBondContact O-CB 3.49Å; I697-L701 PolarHBondContact O-N 2.97Å
698	T	90.8	Very high	78.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-36.5	174.8	53.7	0	0	0	0	112.5	I671 L681 Y682 I694 H695 K702	I671-T698 HydrophobicContact CD1-CG2 3.65Å; I671-T698 HydrophobicContact CG1-CG2 3.9Å; I671-T698 HydrophobicContact CG2-CG2 4.17Å; L681-T698 HydrophobicContact CD1-CG2 3.63Å; L681-T698 HydrophobicContact CG-CG2 3.96Å; Y682-T698 HydrophobicContact CD1-CG2 4.01Å; Y682-T698 HydrophobicContact CD2-CG2 4.18Å; Y682-T698 HydrophobicContact CE1-CG2 3.84Å; Y682-T698 HydrophobicContact CE2-CG2 4.02Å; Y682-T698 HydrophobicContact CG-CG2 4.2Å; I694-T698 WeakPolarHBondContact O-CB 3.49Å; I694-T698 WeakPolarHBondContact O-CG2 3.25Å; I694-T698 PolarHBondContact O-N 2.86Å; I694-T698 PolarHBondContact O-OG1 2.68Å; H695-T698 WeakPolarHBondContact CA-OG1 3.2Å; H695-T698 PolarHBondContact O-OG1 2.99Å; T698-K702 WeakPolarHBondContact O-CE 3.37Å; T698-K702 WeakPolarHBondContact O-CG 3.31Å; T698-K702 PolarHBondContact O-N 3.38Å
699	G	89.3	Confident	80.9	Confident	8 Å²	8	54.4 Å²	54.4	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-42.9	172.6	0	0	0	0	0	113	H695 V696 I697 L703	H695-G699 WeakPolarHBondContact O-CA 3.37Å; H695-G699 PolarHBondContact O-N 3.36Å; V696-G699 PolarHBondContact O-N 3.12Å; I697-G699 VanDerWaalsContact C-N 3.3Å; I697-G699 PolarHBondContact O-N 2.92Å; G699-L703 WeakPolarHBondContact O-CB 3.47Å; G699-L703 PolarHBondContact O-N 3.17Å
700	T	89.8	Confident	83.2	Confident	44 Å²	44	50.9 Å²	50.9	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-79.3	-33.1	-176.4	-51.2	0	0	0	0	112	F645 F663 V696 I697 L703 F704	F645-T700 HydrophobicContact CE1-CG2 4.23Å; F645-T700 HydrophobicContact CZ-CG2 3.77Å; F663-T700 HydrophobicContact CE2-CG2 4.34Å; F663-T700 HydrophobicContact CZ-CG2 3.82Å; V696-T700 VanDerWaalsContact O-CB 3.3Å; V696-T700 WeakPolarHBondContact O-CB 3.48Å; V696-T700 PolarHBondContact O-N 2.74Å; V696-T700 PolarHBondContact O-OG1 3.07Å; I697-T700 PolarHBondContact O-N 3.14Å; I697-T700 VanDerWaalsContact O-N 3.16Å; T700-L703 WeakPolarHBondContact O-CB 3.24Å; T700-L703 PolarHBondContact O-N 3.17Å; T700-F704 PolarHBondContact O-N 3.45Å
701	L	92.9	Very high	85.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-40.6	171.7	-177.4	55.4	0	0	0	111.7	F663 V664 C667 T668 I671 Y682 I697 L703 F704 F705	F663-L701 HydrophobicContact CE1-CD1 4.25Å; V664-L701 HydrophobicContact CB-CD1 4.43Å; V664-L701 HydrophobicContact CG1-CD1 4.32Å; V664-L701 HydrophobicContact CG2-CD1 4.15Å; C667-L701 HydrophobicContact CB-CB 4.18Å; C667-L701 HydrophobicContact CB-CD1 4.11Å; C667-L701 HydrophobicContact CB-CD2 3.87Å; C667-L701 HydrophobicContact CB-CG 4.28Å; T668-L701 HydrophobicContact CG2-CD2 3.94Å; I671-L701 HydrophobicContact CD1-CD2 3.88Å; Y682-L701 WeakPolarHBondContact OH-CD2 3.33Å; I697-L701 WeakPolarHBondContact O-CB 3.49Å; I697-L701 PolarHBondContact O-N 2.97Å; L701-L703 VanDerWaalsContact C-N 3.33Å; L701-F704 PolarHBondContact O-N 2.86Å; L701-F705 HydrophobicContact CD1-CD2 4.36Å; L701-F705 HydrophobicContact CD1-CE2 3.65Å; L701-F705 HydrophobicContact CD1-CZ 4.36Å; L701-F705 HydrophobicContact CG-CE2 4.15Å; L701-F705 WeakPolarHBondContact O-CD2 3.4Å
702	K	93.6	Very high	87.5	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-39.8	168.3	-73.6	176.1	-68.4	172.7	0	112.1	Y682 Y685 T698 R706 V779 F780 T783	Y682-K702 HydrophobicContact CD1-CD 3.83Å; Y682-K702 HydrophobicContact CD1-CG 3.83Å; Y682-K702 HydrophobicContact CE1-CG 4.26Å; Y682-K702 PolarHBondContact O-NZ 3.08Å; Y685-K702 WeakPolarHBondContact OH-CE 3.18Å; Y685-K702 PolarHBondContact OH-NZ 3.04Å; T698-K702 WeakPolarHBondContact O-CE 3.37Å; T698-K702 WeakPolarHBondContact O-CG 3.31Å; T698-K702 PolarHBondContact O-N 3.38Å; K702-R706 WeakPolarHBondContact O-CB 3.28Å; K702-R706 PolarHBondContact O-N 3.25Å; K702-V779 HydrophobicContact CD-CG1 3.66Å; K702-F780 HydrophobicContact CG-CE1 4.23Å; K702-F780 HydrophobicContact CG-CE2 4.42Å; K702-F780 HydrophobicContact CG-CZ 3.88Å; K702-T783 WeakPolarHBondContact O-CG2 3.38Å
703	L	90.4	Very high	89.3	Confident	47 Å²	47	36.6 Å²	36.6	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-45.4	179.4	-172	64.9	0	0	0	111.4	F645 G699 T700 L701 F705 R706 E707	F645-L703 HydrophobicContact CE1-CB 4.36Å; F645-L703 HydrophobicContact CE1-CD2 4.34Å; F645-L703 HydrophobicContact CE1-CG 4.26Å; G699-L703 WeakPolarHBondContact O-CB 3.47Å; G699-L703 PolarHBondContact O-N 3.17Å; T700-L703 WeakPolarHBondContact O-CB 3.24Å; T700-L703 PolarHBondContact O-N 3.17Å; L701-L703 VanDerWaalsContact C-N 3.33Å; L703-F705 PolarHBondContact O-N 3.49Å; L703-R706 WeakPolarHBondContact O-CB 3.4Å; L703-R706 PolarHBondContact O-N 3.38Å; L703-R706 VanDerWaalsContact O-N 3.16Å; L703-E707 HydrophobicContact CD1-CG 4.05Å; L703-E707 WeakPolarHBondContact CD1-OE1 3.36Å; L703-E707 HydrophobicContact CG-CG 4.31Å; L703-E707 WeakPolarHBondContact O-CB 3.45Å; L703-E707 WeakPolarHBondContact O-CG 3.5Å; L703-E707 PolarHBondContact O-N 2.78Å
704	F	93.4	Very high	90.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-52.6	-56.8	179.2	174.3	-101.1	0	0	0	111.9	V644 F645 I652 P661 F663 V664 T700 L701 R706 E707 L708	V644-F704 HydrophobicContact CG1-CD2 4.07Å; V644-F704 HydrophobicContact CG1-CE2 3.7Å; F645-F704 HydrophobicContact CD1-CB 4.41Å; F645-F704 HydrophobicContact CD1-CD2 4.47Å; F645-F704 HydrophobicContact CE1-CB 3.72Å; F645-F704 HydrophobicContact CE1-CD2 4.29Å; F645-F704 HydrophobicContact CE2-CD2 4.48Å; F645-F704 HydrophobicContact CZ-CB 4.01Å; F645-F704 HydrophobicContact CZ-CD2 4.26Å; I652-F704 HydrophobicContact CD1-CE2 3.9Å; I652-F704 HydrophobicContact CD1-CZ 3.88Å; P661-F704 HydrophobicContact CB-CZ 4.05Å; P661-F704 HydrophobicContact CG-CE1 4.26Å; P661-F704 HydrophobicContact CG-CZ 3.88Å; F663-F704 HydrophobicContact CD1-CB 4.1Å; F663-F704 HydrophobicContact CD1-CD1 4.34Å; F663-F704 AromaticContact CD1-CD2 3.84Å; F663-F704 HydrophobicContact CD1-CD2 3.84Å; F663-F704 HydrophobicContact CD1-CE2 4.38Å; F663-F704 AromaticContact CD1-CG 3.82Å; F663-F704 HydrophobicContact CD1-CG 3.82Å; F663-F704 HydrophobicContact CE1-CB 3.62Å; F663-F704 HydrophobicContact CE1-CD2 4.19Å; F663-F704 AromaticContact CE1-CG 3.88Å; F663-F704 HydrophobicContact CE1-CG 3.88Å; V664-F704 HydrophobicContact CG2-CD1 3.66Å; V664-F704 HydrophobicContact CG2-CE1 3.38Å; V664-F704 HydrophobicContact CG2-CZ 4.19Å; T700-F704 PolarHBondContact O-N 3.45Å; L701-F704 PolarHBondContact O-N 2.86Å; F704-R706 VanDerWaalsContact C-N 3.27Å; F704-R706 PolarHBondContact O-N 2.84Å; F704-E707 PolarHBondContact O-N 2.84Å; F704-E707 VanDerWaalsContact O-N 3.13Å; F704-L708 HydrophobicContact CE1-CD2 4.08Å; F704-L708 HydrophobicContact CE2-CD2 4.1Å; F704-L708 HydrophobicContact CZ-CD2 3.75Å; F704-L708 WeakPolarHBondContact O-CG 3.27Å; F704-L708 PolarHBondContact O-N 2.95Å; F704-L708 VanDerWaalsContact O-N 3.11Å
705	F	94.9	Very high	90.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-33.9	-179.9	-68.5	-64.2	0	0	0	113.5	V664 L701 L703 L708 L712 T751 L755 T783 L784	V664-F705 HydrophobicContact CG1-CZ 4.06Å; V664-F705 HydrophobicContact CG2-CE1 4.33Å; V664-F705 HydrophobicContact CG2-CZ 3.84Å; L701-F705 HydrophobicContact CD1-CD2 4.36Å; L701-F705 HydrophobicContact CD1-CE2 3.65Å; L701-F705 HydrophobicContact CD1-CZ 4.36Å; L701-F705 HydrophobicContact CG-CE2 4.15Å; L701-F705 WeakPolarHBondContact O-CD2 3.4Å; L703-F705 PolarHBondContact O-N 3.49Å; F705-L708 HydrophobicContact CD1-CD1 4.14Å; F705-L712 HydrophobicContact CD1-CB 4.32Å; F705-L712 HydrophobicContact CD1-CD2 4.04Å; F705-L712 HydrophobicContact CE1-CD1 4.39Å; F705-L712 HydrophobicContact CE1-CD2 3.85Å; F705-T751 HydrophobicContact CE1-CG2 3.75Å; F705-T751 HydrophobicContact CZ-CG2 4.09Å; F705-L755 HydrophobicContact CD2-CD2 4.23Å; F705-L755 HydrophobicContact CE1-CD2 4.43Å; F705-L755 HydrophobicContact CE2-CD1 3.92Å; F705-L755 HydrophobicContact CE2-CD2 3.77Å; F705-L755 HydrophobicContact CE2-CG 4.37Å; F705-L755 HydrophobicContact CZ-CB 4.48Å; F705-L755 HydrophobicContact CZ-CD1 4.37Å; F705-L755 HydrophobicContact CZ-CD2 3.89Å; F705-L755 HydrophobicContact CZ-CG 4.48Å; F705-T783 HydrophobicContact CB-CG2 3.8Å; F705-L784 HydrophobicContact CB-CD2 3.86Å; F705-L784 HydrophobicContact CD1-CD2 4.12Å; F705-L784 HydrophobicContact CD2-CD2 4.22Å; F705-L784 HydrophobicContact CG-CD2 3.8Å
706	R	92.3	Very high	90.9	Very high	128 Å²	128	41 Å²	41	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-71	-30.5	177.3	-168.2	-179.1	71.2	-179	7.1	112.9	K702 L703 F704 T783	K702-R706 WeakPolarHBondContact O-CB 3.28Å; K702-R706 PolarHBondContact O-N 3.25Å; L703-R706 WeakPolarHBondContact O-CB 3.4Å; L703-R706 PolarHBondContact O-N 3.38Å; L703-R706 VanDerWaalsContact O-N 3.16Å; F704-R706 VanDerWaalsContact C-N 3.27Å; F704-R706 PolarHBondContact O-N 2.84Å; R706-T783 HydrophobicContact CB-CG2 4.28Å
707	E	89.2	Confident	91.3	Very high	74 Å²	74	36.9 Å²	36.9	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-96.4	-15.6	-173.4	-71	-172.9	167	0	0	114.4	G646 L703 F704 K790	G646-E707 WeakPolarHBondContact CA-O 3.13Å; L703-E707 HydrophobicContact CD1-CG 4.05Å; L703-E707 WeakPolarHBondContact CD1-OE1 3.36Å; L703-E707 HydrophobicContact CG-CG 4.31Å; L703-E707 WeakPolarHBondContact O-CB 3.45Å; L703-E707 WeakPolarHBondContact O-CG 3.5Å; L703-E707 PolarHBondContact O-N 2.78Å; F704-E707 PolarHBondContact O-N 2.84Å; F704-E707 VanDerWaalsContact O-N 3.13Å; E707-K790 PolarHBondContact O-NZ 3.07Å
708	L	90.5	Very high	91.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-40.3	141.6	171.3	-71.6	176.8	0	0	0	112.2	L649 I652 F704 F705 E710 K790	L649-L708 HydrophobicContact CB-CD2 4.48Å; I652-L708 HydrophobicContact CD1-CD2 3.99Å; F704-L708 HydrophobicContact CE1-CD2 4.08Å; F704-L708 HydrophobicContact CE2-CD2 4.1Å; F704-L708 HydrophobicContact CZ-CD2 3.75Å; F704-L708 WeakPolarHBondContact O-CG 3.27Å; F704-L708 PolarHBondContact O-N 2.95Å; F704-L708 VanDerWaalsContact O-N 3.11Å; F705-L708 HydrophobicContact CD1-CD1 4.14Å; L708-E710 WeakPolarHBondContact CB-O 3.28Å; L708-E710 PolarHBondContact O-N 3.35Å; L708-K790 PolarHBondContact O-NZ 3.18Å
709	Q	86.4	Confident	91.6	Very high	108 Å²	108	42.2 Å²	42.2	51%	0.505	20%	0.198	S	C	.	.	S	Bend	trans	-54.6	-41.5	179.6	-174.5	176.4	-23.3	0	0	111.1	S647	S647-Q709 WeakPolarHBondContact O-CB 3.3Å; S647-Q709 PolarHBondContact O-N 3.23Å
710	E	87.8	Confident	91.9	Very high	64 Å²	64	44.4 Å²	44.4	30%	0.299	21%	0.208	S	C	.	.	S	Bend	trans	-124.7	145.1	175.9	65.4	-156.1	130.1	0	0	110	S648 L708	S648-E710 VanDerWaalsContact CB-OE1 3.25Å; S648-E710 WeakPolarHBondContact CB-OE1 3.36Å; S648-E710 PolarHBondContact OG-OE1 3.17Å; L708-E710 WeakPolarHBondContact CB-O 3.28Å; L708-E710 PolarHBondContact O-N 3.35Å
711	P	93.1	Very high	92.1	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.065	20%	0.195	C	C	.	.			trans	-61.3	157.1	178.8	15.9	-24.6	0	0	0	113.9	F713 M715 L784 C786	P711-F713 WeakPolarHBondContact CG-O 3.48Å; P711-F713 CarbonylContact O-C 3.59Å; P711-F713 PolarHBondContact O-N 2.68Å; P711-M715 HydrophobicContact CG-CG 3.89Å; P711-M715 HydrophobicContact CG-SD 3.52Å; P711-M715 VanDerWaalsContact CG-SD 3.52Å; P711-L784 WeakPolarHBondContact CB-O 3.35Å; P711-C786 HydrophobicContact CB-CB 3.97Å; P711-C786 HydrophobicContact CG-CB 4.33Å
712	L	95.7	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-59.8	-36.6	176.5	-177.8	62.1	0	0	0	111.5	L649 F705 P714 H748 T751 L752 L755 L784	L649-L712 HydrophobicContact CD2-CD1 3.57Å; F705-L712 HydrophobicContact CD1-CB 4.32Å; F705-L712 HydrophobicContact CD1-CD2 4.04Å; F705-L712 HydrophobicContact CE1-CD1 4.39Å; F705-L712 HydrophobicContact CE1-CD2 3.85Å; L712-P714 WeakPolarHBondContact O-CD 3.42Å; L712-H748 PolarHBondContact O-ND1 2.62Å; L712-T751 HydrophobicContact CD1-CG2 4.05Å; L712-L752 HydrophobicContact CD2-CB 4.08Å; L712-L752 HydrophobicContact CD2-CD1 3.85Å; L712-L752 HydrophobicContact CG-CB 4.34Å; L712-L755 HydrophobicContact CD2-CD2 4.08Å; L712-L784 HydrophobicContact CB-CD2 4.28Å; L712-L784 HydrophobicContact CD2-CD1 4.35Å; L712-L784 HydrophobicContact CD2-CD2 3.8Å; L712-L784 PolarHBondContact N-O 3.14Å
713	F	94.8	Very high	92.2	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	22%	0.224	C	C	.	.	S	Bend	trans	-82.7	113.3	164.6	-73.6	-87.3	0	0	0	109.9	P711 M715 V718 F721 L752 L784 F785 V845 M848	P711-F713 WeakPolarHBondContact CG-O 3.48Å; P711-F713 CarbonylContact O-C 3.59Å; P711-F713 PolarHBondContact O-N 2.68Å; F713-M715 PolarHBondContact O-N 3.42Å; F713-V718 HydrophobicContact CB-CG2 4.42Å; F713-F721 AromaticContact CD1-CD2 3.98Å; F713-F721 HydrophobicContact CD1-CD2 3.98Å; F713-F721 AromaticContact CD1-CE2 3.69Å; F713-F721 HydrophobicContact CD1-CE2 3.69Å; F713-F721 HydrophobicContact CD1-CZ 4.01Å; F713-F721 HydrophobicContact CE1-CD2 4.48Å; F713-F721 HydrophobicContact CE1-CE1 4.2Å; F713-F721 HydrophobicContact CE1-CE2 4.1Å; F713-F721 AromaticContact CE1-CZ 3.94Å; F713-F721 HydrophobicContact CE1-CZ 3.94Å; F713-L752 HydrophobicContact CE1-CD2 3.77Å; F713-L752 HydrophobicContact CE2-CD1 4.1Å; F713-L752 HydrophobicContact CE2-CD2 4.34Å; F713-L752 HydrophobicContact CZ-CD1 3.99Å; F713-L752 HydrophobicContact CZ-CD2 3.63Å; F713-L784 HydrophobicContact CD2-CB 3.78Å; F713-L784 HydrophobicContact CE2-CB 3.84Å; F713-L784 HydrophobicContact CE2-CD1 4.13Å; F713-L784 PolarHBondContact N-O 3.27Å; F713-F785 HydrophobicContact CB-CD1 3.92Å; F713-F785 HydrophobicContact CB-CE1 3.72Å; F713-F785 HydrophobicContact CB-CE2 4.49Å; F713-F785 HydrophobicContact CB-CG 4.37Å; F713-F785 HydrophobicContact CB-CZ 4.01Å; F713-F785 HydrophobicContact CD1-CE1 4.04Å; F713-F785 HydrophobicContact CD1-CE2 4.23Å; F713-F785 AromaticContact CD1-CZ 3.61Å; F713-F785 HydrophobicContact CD1-CZ 3.61Å; F713-F785 HydrophobicContact CD2-CD1 4.4Å; F713-F785 AromaticContact CD2-CD2 3.68Å; F713-F785 HydrophobicContact CD2-CD2 3.68Å; F713-F785 HydrophobicContact CD2-CE1 4.1Å; F713-F785 AromaticContact CD2-CE2 3.32Å; F713-F785 HydrophobicContact CD2-CE2 3.32Å; F713-F785 HydrophobicContact CD2-CG 4.2Å; F713-F785 AromaticContact CD2-CZ 3.53Å; F713-F785 HydrophobicContact CD2-CZ 3.53Å; F713-F785 HydrophobicContact CE1-CE2 4.31Å; F713-F785 AromaticContact CE1-CZ 3.89Å; F713-F785 HydrophobicContact CE1-CZ 3.89Å; F713-F785 HydrophobicContact CE2-CD2 4.08Å; F713-F785 AromaticContact CE2-CE2 3.43Å; F713-F785 HydrophobicContact CE2-CE2 3.43Å; F713-F785 VanDerWaalsContact CE2-CE2 3.43Å; F713-F785 AromaticContact CE2-CZ 3.83Å; F713-F785 HydrophobicContact CE2-CZ 3.83Å; F713-F785 HydrophobicContact CG-CD1 4.2Å; F713-F785 HydrophobicContact CG-CD2 4.26Å; F713-F785 AromaticContact CG-CE1 3.68Å; F713-F785 HydrophobicContact CG-CE1 3.68Å; F713-F785 AromaticContact CG-CE2 3.76Å; F713-F785 HydrophobicContact CG-CE2 3.76Å; F713-F785 HydrophobicContact CG-CG 4.45Å; F713-F785 AromaticContact CG-CZ 3.41Å; F713-F785 HydrophobicContact CG-CZ 3.41Å; F713-F785 VanDerWaalsContact CG-CZ 3.41Å; F713-F785 AromaticContact CZ-CE2 3.93Å; F713-F785 HydrophobicContact CZ-CE2 3.93Å; F713-F785 AromaticContact CZ-CZ 4Å; F713-F785 HydrophobicContact CZ-CZ 4Å; F713-V845 HydrophobicContact CE2-CG2 4.48Å; F713-M848 HydrophobicContact CE1-CE 4.25Å; F713-M848 HydrophobicContact CE1-SD 3.67Å; F713-M848 HydrophobicContact CZ-CE 4.36Å; F713-M848 HydrophobicContact CZ-SD 3.7Å
714	P	91.9	Very high	92.5	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.032	21%	0.214	C	C	.	.			trans	-59.1	134.2	-176.7	-23.1	32.2	0	0	0	112.2	L712 F716 L717 V718 P745 H748	L712-P714 WeakPolarHBondContact O-CD 3.42Å; P714-F716 HydrophobicContact CB-CD1 3.76Å; P714-F716 HydrophobicContact CB-CE1 3.36Å; P714-F716 HydrophobicContact CB-CZ 3.84Å; P714-F716 HydrophobicContact CG-CE1 4.28Å; P714-F716 HydrophobicContact CG-CZ 4.39Å; P714-F716 PolarHBondContact O-N 2.93Å; P714-L717 HydrophobicContact CG-CD1 4.38Å; P714-L717 PolarHBondContact O-N 2.85Å; P714-V718 PolarHBondContact O-N 3.19Å; P714-P745 HydrophobicContact CG-CG 4.45Å; P714-H748 HydrophobicContact CG-CB 4.44Å
715	M	89	Confident	92.6	Very high	103 Å²	103	47 Å²	47	51%	0.507	22%	0.22	S	C	.	.	H	α-helix	trans	-53.4	-30.4	-172.7	-70.2	-65.5	-76.6	0	0	114.2	P711 F713 L717	P711-M715 HydrophobicContact CG-CG 3.89Å; P711-M715 HydrophobicContact CG-SD 3.52Å; P711-M715 VanDerWaalsContact CG-SD 3.52Å; F713-M715 PolarHBondContact O-N 3.42Å; M715-L717 VanDerWaalsContact C-N 3.32Å; M715-L717 PolarHBondContact O-N 2.93Å
716	F	90.9	Very high	92.6	Very high	131 Å²	131	51.9 Å²	51.9	58%	0.575	24%	0.241	S	C	*	.	H	α-helix	trans	-73	-18.2	177.7	64.9	-93.3	0	0	0	114.3	P714	P714-F716 HydrophobicContact CB-CD1 3.76Å; P714-F716 HydrophobicContact CB-CE1 3.36Å; P714-F716 HydrophobicContact CB-CZ 3.84Å; P714-F716 HydrophobicContact CG-CE1 4.28Å; P714-F716 HydrophobicContact CG-CZ 4.39Å; P714-F716 PolarHBondContact O-N 2.93Å
717	L	93.3	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-98.1	-16.4	176	-60.1	179.2	0	0	0	113.4	P714 M715 K719 D720 F721 L740 R743 M744	P714-L717 HydrophobicContact CG-CD1 4.38Å; P714-L717 PolarHBondContact O-N 2.85Å; M715-L717 VanDerWaalsContact C-N 3.32Å; M715-L717 PolarHBondContact O-N 2.93Å; L717-K719 VanDerWaalsContact C-N 3.28Å; L717-K719 PolarHBondContact O-N 3.49Å; L717-D720 WeakPolarHBondContact O-CA 3.49Å; L717-D720 WeakPolarHBondContact O-CB 3.3Å; L717-D720 PolarHBondContact O-N 3.46Å; L717-F721 HydrophobicContact CB-CD2 3.85Å; L717-F721 HydrophobicContact CB-CE2 3.79Å; L717-F721 HydrophobicContact CD1-CE2 4.19Å; L717-F721 WeakPolarHBondContact O-CD2 3.33Å; L717-F721 PolarHBondContact O-N 3.35Å; L717-L740 HydrophobicContact CD2-CD2 4.16Å; L717-R743 HydrophobicContact CD1-CB 4.4Å; L717-R743 HydrophobicContact CD2-CB 4.19Å; L717-R743 VanDerWaalsContact CD2-NH2 3.31Å; L717-M744 HydrophobicContact CD1-CG 3.67Å
718	V	92	Very high	92.8	Very high	17 Å²	17	53.8 Å²	53.8	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-39.4	-173.4	174.1	0	0	0	0	112.3	F713 P714 M722 F785	F713-V718 HydrophobicContact CB-CG2 4.42Å; P714-V718 PolarHBondContact O-N 3.19Å; V718-M722 HydrophobicContact CG1-CE 4.11Å; V718-M722 WeakPolarHBondContact O-CB 3.4Å; V718-M722 WeakPolarHBondContact O-CG 3.22Å; V718-M722 PolarHBondContact O-N 2.9Å; V718-F785 HydrophobicContact CB-CD1 4.38Å; V718-F785 HydrophobicContact CG1-CD1 3.84Å; V718-F785 HydrophobicContact CG1-CE1 4.23Å; V718-F785 HydrophobicContact CG2-CD1 3.87Å; V718-F785 HydrophobicContact CG2-CE1 4.18Å
719	K	92.1	Very high	92.9	Very high	139 Å²	139	57.7 Å²	57.7	60%	0.604	28%	0.278	S	S	*	.	H	α-helix	trans	-65.6	-38.9	174.8	-69.9	-176.8	179.6	178.3	0	112.6	L717 M722 N723	L717-K719 VanDerWaalsContact C-N 3.28Å; L717-K719 PolarHBondContact O-N 3.49Å; K719-M722 HydrophobicContact CG-CE 4.35Å; K719-M722 PolarHBondContact O-N 3.34Å; K719-N723 VanDerWaalsContact O-CG 3.27Å; K719-N723 PolarHBondContact O-N 3.38Å; K719-N723 VanDerWaalsContact O-N 3.09Å; K719-N723 PolarHBondContact O-ND2 3.08Å
720	D	94.9	Very high	93.3	Very high	54 Å²	54	55 Å²	55	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-69.1	-44.5	-179.9	-62.8	-1.5	0	0	0	110.6	L717 M722 N723 A724 L740 R743	L717-D720 WeakPolarHBondContact O-CA 3.49Å; L717-D720 WeakPolarHBondContact O-CB 3.3Å; L717-D720 PolarHBondContact O-N 3.46Å; D720-M722 PolarHBondContact O-N 2.95Å; D720-N723 CarbonylContact O-C 3.59Å; D720-N723 PolarHBondContact O-N 3.5Å; D720-A724 WeakPolarHBondContact O-CB 3.5Å; D720-A724 PolarHBondContact O-N 3.43Å; D720-L740 HydrophobicContact CB-CD1 4.02Å; D720-L740 HydrophobicContact CB-CD2 3.4Å; D720-L740 VanDerWaalsContact CB-CD2 3.4Å; D720-L740 HydrophobicContact CB-CG 4.35Å; D720-R743 IonicContact OD2-CZ 3.54Å; D720-R743 VanDerWaalsContact OD2-CZ 3.27Å; D720-R743 IonicContact OD2-NH1 3.69Å; D720-R743 PolarHBondContact OD2-NH1 3.11Å; D720-R743 IonicContact OD2-NH2 2.72Å; D720-R743 PolarHBondContact OD2-NH2 2.98Å
721	F	95.9	Very high	93.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-44.3	173.2	-79.7	-72.6	0	0	0	112.2	F713 L717 N723 A724 I725 F737 L740 M744 F785 I844 M848	F713-F721 AromaticContact CD1-CD2 3.98Å; F713-F721 HydrophobicContact CD1-CD2 3.98Å; F713-F721 AromaticContact CD1-CE2 3.69Å; F713-F721 HydrophobicContact CD1-CE2 3.69Å; F713-F721 HydrophobicContact CD1-CZ 4.01Å; F713-F721 HydrophobicContact CE1-CD2 4.48Å; F713-F721 HydrophobicContact CE1-CE1 4.2Å; F713-F721 HydrophobicContact CE1-CE2 4.1Å; F713-F721 AromaticContact CE1-CZ 3.94Å; F713-F721 HydrophobicContact CE1-CZ 3.94Å; L717-F721 HydrophobicContact CB-CD2 3.85Å; L717-F721 HydrophobicContact CB-CE2 3.79Å; L717-F721 HydrophobicContact CD1-CE2 4.19Å; L717-F721 WeakPolarHBondContact O-CD2 3.33Å; L717-F721 PolarHBondContact O-N 3.35Å; F721-N723 PolarHBondContact O-N 3.11Å; F721-A724 PolarHBondContact O-N 2.9Å; F721-I725 PolarHBondContact O-N 3.33Å; F721-I725 VanDerWaalsContact O-N 3.09Å; F721-F737 HydrophobicContact CD1-CD1 4.11Å; F721-F737 AromaticContact CD1-CE1 3.75Å; F721-F737 HydrophobicContact CD1-CE1 3.75Å; F721-F737 HydrophobicContact CD1-CZ 4.29Å; F721-F737 HydrophobicContact CE1-CD1 4.04Å; F721-F737 HydrophobicContact CE1-CE1 4.07Å; F721-L740 HydrophobicContact CD1-CB 4.25Å; F721-L740 HydrophobicContact CD1-CD1 3.93Å; F721-L740 HydrophobicContact CE1-CB 3.69Å; F721-L740 HydrophobicContact CE1-CD1 4.24Å; F721-L740 HydrophobicContact CE2-CB 4.15Å; F721-L740 HydrophobicContact CG-CD1 4.11Å; F721-L740 HydrophobicContact CZ-CB 3.64Å; F721-M744 HydrophobicContact CE2-SD 4.47Å; F721-M744 HydrophobicContact CZ-SD 4.13Å; F721-F785 HydrophobicContact CB-CE1 4.49Å; F721-I844 HydrophobicContact CB-CD1 4.09Å; F721-I844 HydrophobicContact CB-CG2 4.45Å; F721-I844 HydrophobicContact CD1-CG2 4.28Å; F721-M848 HydrophobicContact CE1-SD 4.04Å
722	M	93.6	Very high	93.6	Very high	34 Å²	34	64.7 Å²	64.7	17%	0.167	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-18.1	173.8	-77.1	-167	-59.1	0	0	113.8	V718 K719 D720 K726 M840 I844	V718-M722 HydrophobicContact CG1-CE 4.11Å; V718-M722 WeakPolarHBondContact O-CB 3.4Å; V718-M722 WeakPolarHBondContact O-CG 3.22Å; V718-M722 PolarHBondContact O-N 2.9Å; K719-M722 HydrophobicContact CG-CE 4.35Å; K719-M722 PolarHBondContact O-N 3.34Å; D720-M722 PolarHBondContact O-N 2.95Å; M722-K726 VanDerWaalsContact O-CD 3.31Å; M722-K726 WeakPolarHBondContact O-CD 3.42Å; M722-K726 WeakPolarHBondContact O-CE 3.45Å; M722-K726 WeakPolarHBondContact O-CG 3.06Å; M722-K726 PolarHBondContact O-NZ 3.05Å; M722-M840 HydrophobicContact CB-CE 4.41Å; M722-M840 WeakPolarHBondContact O-CE 3.29Å; M722-I844 HydrophobicContact CG-CD1 4.13Å
723	N	94.7	Very high	93.6	Very high	89 Å²	89	67.4 Å²	67.4	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-94.2	-38.2	174	-70.5	-21.7	0	0	0	111.7	K719 D720 F721 I725 K726	K719-N723 VanDerWaalsContact O-CG 3.27Å; K719-N723 PolarHBondContact O-N 3.38Å; K719-N723 VanDerWaalsContact O-N 3.09Å; K719-N723 PolarHBondContact O-ND2 3.08Å; D720-N723 CarbonylContact O-C 3.59Å; D720-N723 PolarHBondContact O-N 3.5Å; F721-N723 PolarHBondContact O-N 3.11Å; N723-I725 PolarHBondContact O-N 2.8Å; N723-K726 WeakPolarHBondContact O-CB 3.45Å; N723-K726 PolarHBondContact O-N 3.3Å; N723-K726 PolarHBondContact OD1-NZ 3.48Å
724	A	96.1	Very high	93.7	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-41.7	176.1	0	0	0	0	0	112.3	D720 F721 K726 L727 R733 A736 F737 L740	D720-A724 WeakPolarHBondContact O-CB 3.5Å; D720-A724 PolarHBondContact O-N 3.43Å; F721-A724 PolarHBondContact O-N 2.9Å; A724-K726 PolarHBondContact O-N 3.34Å; A724-L727 VanDerWaalsContact O-CB 3.28Å; A724-L727 WeakPolarHBondContact O-CB 3.47Å; A724-L727 WeakPolarHBondContact O-CG 3.28Å; A724-L727 PolarHBondContact O-N 3.41Å; A724-L727 VanDerWaalsContact O-N 3.12Å; A724-R733 WeakPolarHBondContact O-CG 3.49Å; A724-A736 HydrophobicContact CB-CB 3.96Å; A724-F737 HydrophobicContact CB-CD2 3.8Å; A724-F737 HydrophobicContact CB-CE2 3.68Å; A724-L740 HydrophobicContact CB-CD1 3.83Å
725	I	95.3	Very high	93.8	Very high	24 Å²	24	74.6 Å²	74.6	12%	0.123	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.2	179.2	-166.5	61.7	0	0	0	113.2	F721 N723 L727 F737 M840 Q843 I844 Y847	F721-I725 PolarHBondContact O-N 3.33Å; F721-I725 VanDerWaalsContact O-N 3.09Å; N723-I725 PolarHBondContact O-N 2.8Å; I725-L727 VanDerWaalsContact C-N 3.25Å; I725-L727 PolarHBondContact O-N 2.7Å; I725-F737 HydrophobicContact CB-CE2 4.24Å; I725-F737 HydrophobicContact CB-CZ 4.21Å; I725-F737 HydrophobicContact CD1-CE2 4.34Å; I725-F737 HydrophobicContact CD1-CZ 4.21Å; I725-M840 HydrophobicContact CG2-CE 3.37Å; I725-Q843 HydrophobicContact CG1-CB 4.1Å; I725-I844 HydrophobicContact CB-CG1 3.85Å; I725-I844 HydrophobicContact CG1-CG1 4.13Å; I725-I844 HydrophobicContact CG2-CD1 4.26Å; I725-I844 HydrophobicContact CG2-CG1 3.83Å; I725-Y847 HydrophobicContact CD1-CD1 4.41Å; I725-Y847 HydrophobicContact CD1-CG 4.06Å
726	K	94.3	Very high	94.2	Very high	102 Å²	102	70.7 Å²	70.7	44%	0.443	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.4	175.6	-60	169.7	-172	149	0	113.4	M722 N723 A724 Q728 M840	M722-K726 VanDerWaalsContact O-CD 3.31Å; M722-K726 WeakPolarHBondContact O-CD 3.42Å; M722-K726 WeakPolarHBondContact O-CE 3.45Å; M722-K726 WeakPolarHBondContact O-CG 3.06Å; M722-K726 PolarHBondContact O-NZ 3.05Å; N723-K726 WeakPolarHBondContact O-CB 3.45Å; N723-K726 PolarHBondContact O-N 3.3Å; N723-K726 PolarHBondContact OD1-NZ 3.48Å; A724-K726 PolarHBondContact O-N 3.34Å; K726-Q728 PolarHBondContact O-N 2.97Å; K726-M840 HydrophobicContact CD-CE 4.41Å; K726-M840 HydrophobicContact CG-CE 3.9Å
727	L	94.5	Very high	94.5	Very high	65 Å²	65	64.5 Å²	64.5	34%	0.34	32%	0.317	S	S	.	.			trans	-69.8	115	179.8	-64.9	173.9	0	0	0	110.1	A724 I725 R733 A736	A724-L727 VanDerWaalsContact O-CB 3.28Å; A724-L727 WeakPolarHBondContact O-CB 3.47Å; A724-L727 WeakPolarHBondContact O-CG 3.28Å; A724-L727 PolarHBondContact O-N 3.41Å; A724-L727 VanDerWaalsContact O-N 3.12Å; I725-L727 VanDerWaalsContact C-N 3.25Å; I725-L727 PolarHBondContact O-N 2.7Å; L727-R733 HydrophobicContact CB-CB 3.99Å; L727-R733 PolarHBondContact O-NH1 3.34Å; L727-A736 HydrophobicContact CD1-CB 3.94Å
728	Q	91.6	Very high	94.5	Very high	177 Å²	177	69.7 Å²	69.7	83%	0.827	34%	0.34	S	S	*	.	S	Bend	trans	-66.7	-39.5	179.8	-59.8	-62.7	-11.5	0	0	112.1	K726 A730	K726-Q728 PolarHBondContact O-N 2.97Å; Q728-A730 PolarHBondContact O-N 3.28Å
729	N	94.1	Very high	94.7	Very high	84 Å²	84	73.6 Å²	73.6	45%	0.449	36%	0.357	S	S	.	.	S	Bend	trans	-72.8	109.5	177.3	-178.8	-27.9	0	0	0	110.5	K731 L732 R733	N729-K731 VanDerWaalsContact C-N 3.27Å; N729-K731 PolarHBondContact O-N 3.14Å; N729-K731 WeakPolarHBondContact OD1-CB 3.22Å; N729-K731 PolarHBondContact OD1-N 2.79Å; N729-L732 HydrophobicContact CB-CB 4.23Å; N729-L732 HydrophobicContact CB-CD1 4.09Å; N729-L732 HydrophobicContact CB-CG 4.2Å; N729-L732 PolarHBondContact O-N 2.97Å; N729-L732 VanDerWaalsContact O-N 3.13Å; N729-L732 PolarHBondContact OD1-N 3.31Å; N729-R733 PolarHBondContact O-N 3.09Å
730	A	93.1	Very high	94.9	Very high	53 Å²	53	67.3 Å²	67.3	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-32.1	-178	0	0	0	0	0	114.2	Q728 F734	Q728-A730 PolarHBondContact O-N 3.28Å; A730-F734 WeakPolarHBondContact O-CB 3.47Å; A730-F734 PolarHBondContact O-N 2.76Å
731	K	93.6	Very high	94.9	Very high	179 Å²	179	65 Å²	65	78%	0.778	32%	0.317	S	S	*	.	H	α-helix	trans	-69.4	-42.2	177	-64.9	-177.1	178.3	179.8	0	111.4	N729 K735	N729-K731 VanDerWaalsContact C-N 3.27Å; N729-K731 PolarHBondContact O-N 3.14Å; N729-K731 WeakPolarHBondContact OD1-CB 3.22Å; N729-K731 PolarHBondContact OD1-N 2.79Å; K731-K735 PolarHBondContact O-N 3.21Å; K731-K735 VanDerWaalsContact O-N 3.09Å
732	L	94.9	Very high	94.8	Very high	98 Å²	98	68.8 Å²	68.8	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-69.5	-40.1	175.3	-65.3	179.5	0	0	0	111.6	N729 K735 A736	N729-L732 HydrophobicContact CB-CB 4.23Å; N729-L732 HydrophobicContact CB-CD1 4.09Å; N729-L732 HydrophobicContact CB-CG 4.2Å; N729-L732 PolarHBondContact O-N 2.97Å; N729-L732 VanDerWaalsContact O-N 3.13Å; N729-L732 PolarHBondContact OD1-N 3.31Å; L732-K735 PolarHBondContact O-N 3.47Å; L732-A736 WeakPolarHBondContact O-CB 3.34Å; L732-A736 PolarHBondContact O-N 2.74Å
733	R	96.1	Very high	94.9	Very high	57 Å²	57	73.2 Å²	73.2	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-50.5	173.8	-174	164.7	68.7	-132.1	7.8	111.4	A724 L727 N729 K735 A736 F737 Y847	A724-R733 WeakPolarHBondContact O-CG 3.49Å; L727-R733 HydrophobicContact CB-CB 3.99Å; L727-R733 PolarHBondContact O-NH1 3.34Å; N729-R733 PolarHBondContact O-N 3.09Å; R733-K735 PolarHBondContact O-N 2.75Å; R733-A736 PolarHBondContact O-N 2.95Å; R733-F737 HydrophobicContact CG-CD2 3.91Å; R733-F737 HydrophobicContact CG-CE2 4.03Å; R733-F737 WeakPolarHBondContact O-CD2 3.23Å; R733-F737 PolarHBondContact O-N 2.76Å; R733-Y847 HydrophobicContact CG-CD1 4.49Å; R733-Y847 HydrophobicContact CG-CE1 3.84Å
734	F	95.6	Very high	94.8	Very high	36 Å²	36	69.5 Å²	69.5	16%	0.158	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-45.3	177.5	178.1	-99.2	0	0	0	112.3	A730 F737 K738 Y847 R854 L855	A730-F734 WeakPolarHBondContact O-CB 3.47Å; A730-F734 PolarHBondContact O-N 2.76Å; F734-F737 PolarHBondContact O-N 2.65Å; F734-K738 PolarHBondContact O-N 3.23Å; F734-Y847 WeakPolarHBondContact CA-OH 3.48Å; F734-R854 HydrophobicContact CE2-CB 3.51Å; F734-R854 HydrophobicContact CZ-CB 3.75Å; F734-R854 WeakPolarHBondContact CZ-O 3.14Å; F734-L855 HydrophobicContact CD2-CD2 4.13Å; F734-L855 HydrophobicContact CE2-CD2 3.79Å; F734-L855 HydrophobicContact CE2-CG 4.21Å
735	K	94.9	Very high	94.8	Very high	121 Å²	121	71.3 Å²	71.3	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-50.5	176.4	179.2	173.9	172.1	176.4	0	111.7	K731 L732 R733 F737 K738 E739	K731-K735 PolarHBondContact O-N 3.21Å; K731-K735 VanDerWaalsContact O-N 3.09Å; L732-K735 PolarHBondContact O-N 3.47Å; R733-K735 PolarHBondContact O-N 2.75Å; K735-F737 VanDerWaalsContact C-N 3.33Å; K735-F737 PolarHBondContact O-N 3.04Å; K735-K738 PolarHBondContact O-N 3.22Å; K735-E739 WeakPolarHBondContact CE-OE1 3.32Å; K735-E739 IonicContact NZ-OE1 2.74Å; K735-E739 WeakPolarHBondContact O-CG 3.2Å; K735-E739 PolarHBondContact O-N 3.29Å
736	A	96.1	Very high	94.7	Very high	21 Å²	21	74.3 Å²	74.3	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-40.7	179	0	0	0	0	0	112.2	A724 L727 L732 R733 E739 L740	A724-A736 HydrophobicContact CB-CB 3.96Å; L727-A736 HydrophobicContact CD1-CB 3.94Å; L732-A736 WeakPolarHBondContact O-CB 3.34Å; L732-A736 PolarHBondContact O-N 2.74Å; R733-A736 PolarHBondContact O-N 2.95Å; A736-E739 PolarHBondContact O-N 3.39Å; A736-L740 WeakPolarHBondContact O-CB 3.24Å; A736-L740 VanDerWaalsContact O-CG 3.22Å; A736-L740 WeakPolarHBondContact O-CG 3.39Å; A736-L740 PolarHBondContact O-N 2.98Å
737	F	96.9	Very high	94.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-41.6	174.9	-94.6	-95.1	0	0	0	112.7	F721 A724 I725 R733 F734 K735 L740 V741 I844 Y847 M848 L855	F721-F737 HydrophobicContact CD1-CD1 4.11Å; F721-F737 AromaticContact CD1-CE1 3.75Å; F721-F737 HydrophobicContact CD1-CE1 3.75Å; F721-F737 HydrophobicContact CD1-CZ 4.29Å; F721-F737 HydrophobicContact CE1-CD1 4.04Å; F721-F737 HydrophobicContact CE1-CE1 4.07Å; A724-F737 HydrophobicContact CB-CD2 3.8Å; A724-F737 HydrophobicContact CB-CE2 3.68Å; I725-F737 HydrophobicContact CB-CE2 4.24Å; I725-F737 HydrophobicContact CB-CZ 4.21Å; I725-F737 HydrophobicContact CD1-CE2 4.34Å; I725-F737 HydrophobicContact CD1-CZ 4.21Å; R733-F737 HydrophobicContact CG-CD2 3.91Å; R733-F737 HydrophobicContact CG-CE2 4.03Å; R733-F737 WeakPolarHBondContact O-CD2 3.23Å; R733-F737 PolarHBondContact O-N 2.76Å; F734-F737 PolarHBondContact O-N 2.65Å; K735-F737 VanDerWaalsContact C-N 3.33Å; K735-F737 PolarHBondContact O-N 3.04Å; F737-L740 PolarHBondContact O-N 2.78Å; F737-V741 WeakPolarHBondContact O-CG2 3.49Å; F737-V741 PolarHBondContact O-N 3.05Å; F737-I844 HydrophobicContact CE1-CG2 3.96Å; F737-I844 HydrophobicContact CZ-CG1 4.45Å; F737-I844 HydrophobicContact CZ-CG2 4.14Å; F737-Y847 HydrophobicContact CB-CE1 4.12Å; F737-Y847 AromaticContact CD1-CD1 3.9Å; F737-Y847 HydrophobicContact CD1-CD1 3.9Å; F737-Y847 HydrophobicContact CD1-CE1 4.14Å; F737-Y847 AromaticContact CD2-CD1 3.71Å; F737-Y847 HydrophobicContact CD2-CD1 3.71Å; F737-Y847 AromaticContact CD2-CE1 3.5Å; F737-Y847 HydrophobicContact CD2-CE1 3.5Å; F737-Y847 VanDerWaalsContact CD2-CE1 3.5Å; F737-Y847 AromaticContact CE1-CD1 3.81Å; F737-Y847 HydrophobicContact CE1-CD1 3.81Å; F737-Y847 HydrophobicContact CE1-CE1 4.46Å; F737-Y847 AromaticContact CE2-CD1 3.6Å; F737-Y847 HydrophobicContact CE2-CD1 3.6Å; F737-Y847 AromaticContact CE2-CE1 3.86Å; F737-Y847 HydrophobicContact CE2-CE1 3.86Å; F737-Y847 AromaticContact CG-CD1 3.85Å; F737-Y847 HydrophobicContact CG-CD1 3.85Å; F737-Y847 AromaticContact CG-CE1 3.64Å; F737-Y847 HydrophobicContact CG-CE1 3.64Å; F737-Y847 AromaticContact CZ-CD1 3.66Å; F737-Y847 HydrophobicContact CZ-CD1 3.66Å; F737-Y847 HydrophobicContact CZ-CE1 4.33Å; F737-M848 HydrophobicContact CD1-CG 3.72Å; F737-M848 HydrophobicContact CD1-SD 4.12Å; F737-M848 HydrophobicContact CE1-CG 3.54Å; F737-M848 HydrophobicContact CE1-SD 3.9Å; F737-L855 HydrophobicContact CB-CD2 3.88Å
738	K	95.1	Very high	94.9	Very high	109 Å²	109	67.5 Å²	67.5	47%	0.474	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176	-172.6	171.6	-178.4	172.5	0	111.8	F734 K735 L740 A742 L855	F734-K738 PolarHBondContact O-N 3.23Å; K735-K738 PolarHBondContact O-N 3.22Å; K738-L740 VanDerWaalsContact C-N 3.33Å; K738-L740 PolarHBondContact O-N 3.29Å; K738-A742 WeakPolarHBondContact O-CB 3.29Å; K738-A742 PolarHBondContact O-N 2.61Å; K738-A742 VanDerWaalsContact O-N 3.11Å; K738-L855 HydrophobicContact CB-CD2 4.24Å
739	E	95.4	Very high	95.1	Very high	100 Å²	100	61.1 Å²	61.1	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-34.7	175.2	-71.4	170.2	174.3	0	0	112.6	K735 A736 R743	K735-E739 WeakPolarHBondContact CE-OE1 3.32Å; K735-E739 IonicContact NZ-OE1 2.74Å; K735-E739 WeakPolarHBondContact O-CG 3.2Å; K735-E739 PolarHBondContact O-N 3.29Å; A736-E739 PolarHBondContact O-N 3.39Å; E739-R743 VanDerWaalsContact O-CG 3.3Å; E739-R743 WeakPolarHBondContact O-CG 3.33Å; E739-R743 PolarHBondContact O-N 3.43Å
740	L	96.1	Very high	95.1	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-75.4	-39.7	177.9	-73.3	169.5	0	0	0	113.6	L717 D720 F721 A724 A736 F737 K738 A742 R743	L717-L740 HydrophobicContact CD2-CD2 4.16Å; D720-L740 HydrophobicContact CB-CD1 4.02Å; D720-L740 HydrophobicContact CB-CD2 3.4Å; D720-L740 VanDerWaalsContact CB-CD2 3.4Å; D720-L740 HydrophobicContact CB-CG 4.35Å; F721-L740 HydrophobicContact CD1-CB 4.25Å; F721-L740 HydrophobicContact CD1-CD1 3.93Å; F721-L740 HydrophobicContact CE1-CB 3.69Å; F721-L740 HydrophobicContact CE1-CD1 4.24Å; F721-L740 HydrophobicContact CE2-CB 4.15Å; F721-L740 HydrophobicContact CG-CD1 4.11Å; F721-L740 HydrophobicContact CZ-CB 3.64Å; A724-L740 HydrophobicContact CB-CD1 3.83Å; A736-L740 WeakPolarHBondContact O-CB 3.24Å; A736-L740 VanDerWaalsContact O-CG 3.22Å; A736-L740 WeakPolarHBondContact O-CG 3.39Å; A736-L740 PolarHBondContact O-N 2.98Å; F737-L740 PolarHBondContact O-N 2.78Å; K738-L740 VanDerWaalsContact C-N 3.33Å; K738-L740 PolarHBondContact O-N 3.29Å; L740-A742 VanDerWaalsContact C-N 3.32Å; L740-R743 VanDerWaalsContact CD2-NH1 3.27Å; L740-R743 PolarHBondContact O-N 3.07Å; L740-R743 VanDerWaalsContact O-N 3.15Å
741	V	95.1	Very high	95.3	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-42.6	173.1	171.2	0	0	0	0	110.4	F737 R743 M744 M848 F856	F737-V741 WeakPolarHBondContact O-CG2 3.49Å; F737-V741 PolarHBondContact O-N 3.05Å; V741-R743 PolarHBondContact O-N 2.74Å; V741-M744 WeakPolarHBondContact O-CB 3.45Å; V741-M744 PolarHBondContact O-N 3.5Å; V741-M744 VanDerWaalsContact O-N 3.13Å; V741-M848 HydrophobicContact CG2-CE 3.56Å; V741-F856 HydrophobicContact CG1-CD1 4.11Å; V741-F856 HydrophobicContact CG1-CE1 3.58Å; V741-F856 HydrophobicContact CG1-CE2 4.46Å; V741-F856 HydrophobicContact CG1-CZ 3.78Å; V741-F856 HydrophobicContact CG2-CZ 4.21Å
742	A	93.8	Very high	95.5	Very high	81 Å²	81	48.1 Å²	48.1	67%	0.669	25%	0.246	S	C	*	.	H	α-helix	trans	-66	-18.4	175.3	0	0	0	0	0	114.5	K738 L740	K738-A742 WeakPolarHBondContact O-CB 3.29Å; K738-A742 PolarHBondContact O-N 2.61Å; K738-A742 VanDerWaalsContact O-N 3.11Å; L740-A742 VanDerWaalsContact C-N 3.32Å
743	R	94.8	Very high	95.5	Very high	126 Å²	126	45.2 Å²	45.2	48%	0.475	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.6	174.4	-77	168.8	62	-153.9	-5.5	113.7	L717 D720 E739 L740 V741	L717-R743 HydrophobicContact CD1-CB 4.4Å; L717-R743 HydrophobicContact CD2-CB 4.19Å; L717-R743 VanDerWaalsContact CD2-NH2 3.31Å; D720-R743 IonicContact OD2-CZ 3.54Å; D720-R743 VanDerWaalsContact OD2-CZ 3.27Å; D720-R743 IonicContact OD2-NH1 3.69Å; D720-R743 PolarHBondContact OD2-NH1 3.11Å; D720-R743 IonicContact OD2-NH2 2.72Å; D720-R743 PolarHBondContact OD2-NH2 2.98Å; E739-R743 VanDerWaalsContact O-CG 3.3Å; E739-R743 WeakPolarHBondContact O-CG 3.33Å; E739-R743 PolarHBondContact O-N 3.43Å; L740-R743 VanDerWaalsContact CD2-NH1 3.27Å; L740-R743 PolarHBondContact O-N 3.07Å; L740-R743 VanDerWaalsContact O-N 3.15Å; V741-R743 PolarHBondContact O-N 2.74Å
744	M	94.1	Very high	95.5	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.059	23%	0.234	C	C	.	.	S	Bend	trans	-79.1	139.4	178.7	-67.1	-178.1	60.5	0	0	111.6	L717 F721 V741 H748 H749 L752	L717-M744 HydrophobicContact CD1-CG 3.67Å; F721-M744 HydrophobicContact CE2-SD 4.47Å; F721-M744 HydrophobicContact CZ-SD 4.13Å; V741-M744 WeakPolarHBondContact O-CB 3.45Å; V741-M744 PolarHBondContact O-N 3.5Å; V741-M744 VanDerWaalsContact O-N 3.13Å; M744-H748 HydrophobicContact CE-CB 3.76Å; M744-H749 HydrophobicContact CB-CB 4.2Å; M744-L752 HydrophobicContact CE-CB 4.41Å; M744-L752 HydrophobicContact CE-CD2 3.73Å; M744-L752 HydrophobicContact SD-CD2 3.9Å
745	P	94.6	Very high	95.6	Very high	42 Å²	42	43 Å²	43	27%	0.273	23%	0.227	S	C	.	.			trans	-58.9	143.4	172.5	-21.7	32.6	0	0	0	111.5	P714 P747 H748 H749	P714-P745 HydrophobicContact CG-CG 4.45Å; P745-P747 VanDerWaalsContact C-CD 3.49Å; P745-P747 VanDerWaalsContact C-N 3.34Å; P745-P747 VanDerWaalsContact O-N 3.13Å; P745-H748 WeakPolarHBondContact O-CA 3.5Å; P745-H748 WeakPolarHBondContact O-CB 3.39Å; P745-H748 PolarHBondContact O-N 3.34Å; P745-H749 PolarHBondContact O-N 2.81Å
746	V	94.9	Very high	95.7	Very high	86 Å²	86	37.3 Å²	37.3	52%	0.521	20%	0.202	S	C	.	.	H	α-helix	trans	-49.3	-43.1	-173	-177.9	0	0	0	0	114.1	T659 H748 H749 N750	T659-V746 HydrophobicContact CG2-CG1 4.02Å; V746-H748 VanDerWaalsContact C-N 3.33Å; V746-H748 PolarHBondContact O-N 3.03Å; V746-H749 PolarHBondContact O-N 2.86Å; V746-N750 WeakPolarHBondContact O-CB 3.41Å; V746-N750 PolarHBondContact O-N 2.92Å
747	P	95.4	Very high	95.6	Very high	23 Å²	23	39 Å²	39	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-37.6	176.2	-25.5	37	0	0	0	113.9	L649 I650 C653 T659 P745 T751	L649-P747 HydrophobicContact CG-CB 4.32Å; I650-P747 HydrophobicContact CG1-CG 4.33Å; C653-P747 HydrophobicContact CB-CB 4.19Å; C653-P747 HydrophobicContact CB-CG 4.39Å; T659-P747 WeakPolarHBondContact O-CA 3.42Å; P745-P747 VanDerWaalsContact C-CD 3.49Å; P745-P747 VanDerWaalsContact C-N 3.34Å; P745-P747 VanDerWaalsContact O-N 3.13Å; P747-T751 WeakPolarHBondContact O-CB 3.35Å; P747-T751 PolarHBondContact O-N 3.45Å; P747-T751 VanDerWaalsContact O-N 3.14Å; P747-T751 PolarHBondContact O-OG1 3.48Å
748	H	96.2	Very high	95.6	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-72.8	-44.9	177.4	-67.7	-110	0	0	0	110.9	L649 L712 P714 M744 P745 V746 L752	L649-H748 HydrophobicContact CD2-CB 4.37Å; L712-H748 PolarHBondContact O-ND1 2.62Å; P714-H748 HydrophobicContact CG-CB 4.44Å; M744-H748 HydrophobicContact CE-CB 3.76Å; P745-H748 WeakPolarHBondContact O-CA 3.5Å; P745-H748 WeakPolarHBondContact O-CB 3.39Å; P745-H748 PolarHBondContact O-N 3.34Å; V746-H748 VanDerWaalsContact C-N 3.33Å; V746-H748 PolarHBondContact O-N 3.03Å; H748-L752 WeakPolarHBondContact O-CB 3.43Å; H748-L752 PolarHBondContact O-N 3.16Å
749	H	95.7	Very high	95.7	Very high	42 Å²	42	33.9 Å²	33.9	19%	0.194	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-53.2	177.4	175.9	-89	0	0	0	111.6	M744 P745 V746 L752 N753 F856	M744-H749 HydrophobicContact CB-CB 4.2Å; P745-H749 PolarHBondContact O-N 2.81Å; V746-H749 PolarHBondContact O-N 2.86Å; H749-L752 PolarHBondContact O-N 2.8Å; H749-N753 WeakPolarHBondContact O-CB 3.43Å; H749-N753 PolarHBondContact O-N 2.93Å; H749-F856 AromaticContact CD2-CE1 3.96Å; H749-F856 AromaticContact NE2-CD1 3.65Å; H749-F856 AromaticContact NE2-CE1 3.75Å
750	N	95.7	Very high	95.7	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-71.2	-39.2	-175	-69	8.2	0	0	0	111.8	T659 V660 V746 N753 V754	T659-N750 WeakPolarHBondContact CB-ND2 3.14Å; T659-N750 PolarHBondContact OG1-ND2 2.92Å; V660-N750 HydrophobicContact CG2-CB 3.74Å; V746-N750 WeakPolarHBondContact O-CB 3.41Å; V746-N750 PolarHBondContact O-N 2.92Å; N750-N753 PolarHBondContact O-N 3.01Å; N750-V754 WeakPolarHBondContact O-CG2 3.41Å; N750-V754 PolarHBondContact O-N 3.29Å
751	T	96.9	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.2	-55.8	0	0	0	0	111.6	L649 V660 P661 V664 F705 L712 P747 L755	L649-T751 HydrophobicContact CD1-CG2 4.39Å; V660-T751 HydrophobicContact CG1-CG2 4.36Å; P661-T751 VanDerWaalsContact CD-OG1 3.31Å; P661-T751 WeakPolarHBondContact CD-OG1 3.4Å; V664-T751 HydrophobicContact CG1-CG2 4.41Å; V664-T751 HydrophobicContact CG2-CG2 4.41Å; F705-T751 HydrophobicContact CE1-CG2 3.75Å; F705-T751 HydrophobicContact CZ-CG2 4.09Å; L712-T751 HydrophobicContact CD1-CG2 4.05Å; P747-T751 WeakPolarHBondContact O-CB 3.35Å; P747-T751 PolarHBondContact O-N 3.45Å; P747-T751 VanDerWaalsContact O-N 3.14Å; P747-T751 PolarHBondContact O-OG1 3.48Å; T751-L755 WeakPolarHBondContact O-CB 3.43Å; T751-L755 PolarHBondContact O-N 2.89Å
752	L	96.5	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-41.1	173.5	-179.6	62	0	0	0	111.7	L712 F713 M744 H748 H749 L755 L756 L784 M848 F856	L712-L752 HydrophobicContact CD2-CB 4.08Å; L712-L752 HydrophobicContact CD2-CD1 3.85Å; L712-L752 HydrophobicContact CG-CB 4.34Å; F713-L752 HydrophobicContact CE1-CD2 3.77Å; F713-L752 HydrophobicContact CE2-CD1 4.1Å; F713-L752 HydrophobicContact CE2-CD2 4.34Å; F713-L752 HydrophobicContact CZ-CD1 3.99Å; F713-L752 HydrophobicContact CZ-CD2 3.63Å; M744-L752 HydrophobicContact CE-CB 4.41Å; M744-L752 HydrophobicContact CE-CD2 3.73Å; M744-L752 HydrophobicContact SD-CD2 3.9Å; H748-L752 WeakPolarHBondContact O-CB 3.43Å; H748-L752 PolarHBondContact O-N 3.16Å; H749-L752 PolarHBondContact O-N 2.8Å; L752-L755 PolarHBondContact O-N 2.78Å; L752-L756 HydrophobicContact CD1-CD1 3.91Å; L752-L756 HydrophobicContact CD1-CD2 4.36Å; L752-L756 HydrophobicContact CD1-CG 3.9Å; L752-L756 HydrophobicContact CD2-CD1 4.45Å; L752-L756 HydrophobicContact CG-CD1 3.82Å; L752-L756 HydrophobicContact CG-CG 4.23Å; L752-L756 WeakPolarHBondContact O-CB 3.36Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.32Å; L752-L756 PolarHBondContact O-N 2.86Å; L752-L784 HydrophobicContact CD1-CD1 4.29Å; L752-M848 HydrophobicContact CD2-CE 3.76Å; L752-F856 HydrophobicContact CD2-CZ 4.19Å; L752-F856 HydrophobicContact CG-CZ 4.25Å
753	N	95.9	Very high	95.7	Very high	37 Å²	37	32.7 Å²	32.7	20%	0.198	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-50.1	177	-171.3	21.2	0	0	0	111.7	H749 N750 L755 L756 I757 H852 F856	H749-N753 WeakPolarHBondContact O-CB 3.43Å; H749-N753 PolarHBondContact O-N 2.93Å; N750-N753 PolarHBondContact O-N 3.01Å; N753-L755 VanDerWaalsContact C-N 3.34Å; N753-L755 PolarHBondContact O-N 2.86Å; N753-L756 PolarHBondContact O-N 3.09Å; N753-I757 VanDerWaalsContact O-CG1 3.31Å; N753-I757 WeakPolarHBondContact O-CG1 3.26Å; N753-I757 PolarHBondContact O-N 3.01Å; N753-H852 PolarHBondContact OD1-NE2 2.99Å; N753-F856 HydrophobicContact CB-CD1 3.68Å; N753-F856 HydrophobicContact CB-CE1 3.9Å; N753-F856 HydrophobicContact CB-CG 4.35Å; N753-F856 WeakPolarHBondContact OD1-CB 3.43Å
754	V	95.9	Very high	95.6	Very high	47 Å²	47	34.1 Å²	34.1	29%	0.285	18%	0.176	S	C	.	.	H	α-helix	trans	-59.1	-44.3	176.8	170.8	0	0	0	0	111.5	V660 N750 I757 H758	V660-V754 HydrophobicContact CG1-CG2 4.45Å; V660-V754 HydrophobicContact CG2-CG2 4.1Å; N750-V754 WeakPolarHBondContact O-CG2 3.41Å; N750-V754 PolarHBondContact O-N 3.29Å; V754-I757 PolarHBondContact O-N 3.07Å; V754-H758 WeakPolarHBondContact O-CB 3.42Å; V754-H758 PolarHBondContact O-N 3.46Å
755	L	96.9	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-42.5	177.5	-179.4	63.6	0	0	0	112.4	F705 L712 T751 L752 N753 H758 L759 F780 L784	F705-L755 HydrophobicContact CD2-CD2 4.23Å; F705-L755 HydrophobicContact CE1-CD2 4.43Å; F705-L755 HydrophobicContact CE2-CD1 3.92Å; F705-L755 HydrophobicContact CE2-CD2 3.77Å; F705-L755 HydrophobicContact CE2-CG 4.37Å; F705-L755 HydrophobicContact CZ-CB 4.48Å; F705-L755 HydrophobicContact CZ-CD1 4.37Å; F705-L755 HydrophobicContact CZ-CD2 3.89Å; F705-L755 HydrophobicContact CZ-CG 4.48Å; L712-L755 HydrophobicContact CD2-CD2 4.08Å; T751-L755 WeakPolarHBondContact O-CB 3.43Å; T751-L755 PolarHBondContact O-N 2.89Å; L752-L755 PolarHBondContact O-N 2.78Å; N753-L755 VanDerWaalsContact C-N 3.34Å; N753-L755 PolarHBondContact O-N 2.86Å; L755-H758 PolarHBondContact O-N 3.26Å; L755-L759 HydrophobicContact CD1-CD1 4.1Å; L755-L759 HydrophobicContact CD1-CG 4.16Å; L755-L759 HydrophobicContact CG-CD1 3.94Å; L755-L759 HydrophobicContact CG-CG 4.39Å; L755-L759 WeakPolarHBondContact O-CB 3.48Å; L755-L759 VanDerWaalsContact O-CG 3.26Å; L755-L759 WeakPolarHBondContact O-CG 3.3Å; L755-L759 PolarHBondContact O-N 2.98Å; L755-F780 HydrophobicContact CD1-CE1 4.02Å; L755-F780 HydrophobicContact CD1-CZ 4.42Å; L755-F780 HydrophobicContact CD2-CD1 4.16Å; L755-F780 HydrophobicContact CD2-CE1 4.2Å; L755-L784 HydrophobicContact CD2-CD1 3.75Å; L755-L784 HydrophobicContact CD2-CD2 3.66Å; L755-L784 HydrophobicContact CD2-CG 4.32Å
756	L	96.8	Very high	95.4	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-68.2	-37.6	179.6	-68.7	173.3	0	0	0	111.9	L752 N753 L759 L760 M848 L849 F856	L752-L756 HydrophobicContact CD1-CD1 3.91Å; L752-L756 HydrophobicContact CD1-CD2 4.36Å; L752-L756 HydrophobicContact CD1-CG 3.9Å; L752-L756 HydrophobicContact CD2-CD1 4.45Å; L752-L756 HydrophobicContact CG-CD1 3.82Å; L752-L756 HydrophobicContact CG-CG 4.23Å; L752-L756 WeakPolarHBondContact O-CB 3.36Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.32Å; L752-L756 PolarHBondContact O-N 2.86Å; N753-L756 PolarHBondContact O-N 3.09Å; L756-L759 PolarHBondContact O-N 3.01Å; L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.17Å; L756-M848 HydrophobicContact CD1-CB 4.27Å; L756-M848 HydrophobicContact CD1-CE 4.27Å; L756-L849 HydrophobicContact CB-CD2 4.28Å; L756-L849 HydrophobicContact CD2-CD2 3.51Å; L756-L849 HydrophobicContact CD2-CG 3.8Å; L756-L849 HydrophobicContact CG-CD2 4.49Å; L756-F856 HydrophobicContact CD1-CD2 4.41Å; L756-F856 HydrophobicContact CD1-CE2 3.51Å; L756-F856 HydrophobicContact CD1-CZ 3.88Å
757	I	95.9	Very high	95.2	Very high	56 Å²	56	35.6 Å²	35.6	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-48.1	171.9	-68.7	165.7	0	0	0	110.4	N753 V754 L759 L760 R761 H852	N753-I757 VanDerWaalsContact O-CG1 3.31Å; N753-I757 WeakPolarHBondContact O-CG1 3.26Å; N753-I757 PolarHBondContact O-N 3.01Å; V754-I757 PolarHBondContact O-N 3.07Å; I757-L759 PolarHBondContact O-N 3.17Å; I757-L760 PolarHBondContact O-N 3.4Å; I757-R761 PolarHBondContact O-N 3.31Å; I757-H852 VanDerWaalsContact CG1-CE1 3.43Å; I757-H852 WeakPolarHBondContact CG1-CE1 3.28Å
758	H	96	Very high	95	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-48.1	177.8	176.7	69	0	0	0	112.3	T668 I671 E672 Y682 V754 L755 L760 R761 V762	T668-H758 HydrophobicContact CG2-CB 3.73Å; T668-H758 PolarHBondContact O-ND1 2.87Å; I671-H758 VanDerWaalsContact CG2-CE1 3.44Å; I671-H758 WeakPolarHBondContact CG2-CE1 3.17Å; E672-H758 IonicContact OE1-CE1 2.65Å; E672-H758 IonicContact OE1-CG 2.64Å; E672-H758 IonicContact OE1-ND1 3.66Å; E672-H758 PolarHBondContact OE1-ND1 2.67Å; Y682-H758 AromaticContact CE2-NE2 3.61Å; Y682-H758 AromaticContact CZ-NE2 3.61Å; Y682-H758 PolarHBondContact OH-CD2 2.7Å; Y682-H758 PolarHBondContact OH-NE2 2.88Å; V754-H758 WeakPolarHBondContact O-CB 3.42Å; V754-H758 PolarHBondContact O-N 3.46Å; L755-H758 PolarHBondContact O-N 3.26Å; H758-L760 VanDerWaalsContact C-N 3.26Å; H758-L760 PolarHBondContact O-N 2.96Å; H758-R761 WeakPolarHBondContact O-CB 3.31Å; H758-R761 PolarHBondContact O-N 2.93Å; H758-R761 VanDerWaalsContact O-N 3.13Å; H758-V762 WeakPolarHBondContact O-CG2 3.44Å; H758-V762 PolarHBondContact O-N 3.34Å
759	L	96.5	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-28	178.7	-66.5	173.8	0	0	0	112.6	Y682 L755 L756 I757 A763 L776 F780 L849	Y682-L759 HydrophobicContact CD2-CD2 4.49Å; Y682-L759 HydrophobicContact CE2-CD2 4.14Å; L755-L759 HydrophobicContact CD1-CD1 4.1Å; L755-L759 HydrophobicContact CD1-CG 4.16Å; L755-L759 HydrophobicContact CG-CD1 3.94Å; L755-L759 HydrophobicContact CG-CG 4.39Å; L755-L759 WeakPolarHBondContact O-CB 3.48Å; L755-L759 VanDerWaalsContact O-CG 3.26Å; L755-L759 WeakPolarHBondContact O-CG 3.3Å; L755-L759 PolarHBondContact O-N 2.98Å; L756-L759 PolarHBondContact O-N 3.01Å; I757-L759 PolarHBondContact O-N 3.17Å; L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 2.99Å; L759-L776 HydrophobicContact CB-CD1 4.4Å; L759-L776 HydrophobicContact CD2-CD2 4.03Å; L759-L776 VanDerWaalsContact O-CD1 3.25Å; L759-L776 WeakPolarHBondContact O-CD1 3.42Å; L759-F780 HydrophobicContact CD1-CD1 4.28Å; L759-F780 HydrophobicContact CD1-CD2 3.89Å; L759-F780 HydrophobicContact CD1-CE2 4.16Å; L759-F780 HydrophobicContact CD1-CG 3.95Å; L759-F780 HydrophobicContact CD1-CZ 4.44Å; L759-F780 HydrophobicContact CD2-CD2 3.85Å; L759-F780 HydrophobicContact CD2-CE2 3.4Å; L759-F780 VanDerWaalsContact CD2-CE2 3.4Å; L759-F780 HydrophobicContact CD2-CZ 3.86Å; L759-F780 HydrophobicContact CG-CE2 4.42Å; L759-L849 HydrophobicContact CB-CD2 3.82Å
760	L	95.8	Very high	94.4	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.188	23%	0.229	C	C	.	.	H	α-helix	trans	-71.4	-37.8	171.1	-74.2	166.8	0	0	0	112.6	L756 I757 H758 V762 A763 Q764 L849 H852	L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.17Å; I757-L760 PolarHBondContact O-N 3.4Å; H758-L760 VanDerWaalsContact C-N 3.26Å; H758-L760 PolarHBondContact O-N 2.96Å; L760-V762 VanDerWaalsContact C-N 3.34Å; L760-A763 PolarHBondContact O-N 2.85Å; L760-Q764 VanDerWaalsContact O-CG 3.27Å; L760-Q764 WeakPolarHBondContact O-CG 3.43Å; L760-Q764 PolarHBondContact O-N 2.85Å; L760-L849 HydrophobicContact CD2-CB 4.32Å; L760-L849 HydrophobicContact CD2-CD2 4.28Å; L760-L849 HydrophobicContact CG-CD2 3.95Å; L760-H852 HydrophobicContact CD1-CB 3.64Å
761	R	94.8	Very high	94.2	Very high	119 Å²	119	43.1 Å²	43.1	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-41.3	172	-70.6	173.3	172.7	166.6	-1.7	111.8	E672 I757 H758 Q764 N765	E672-R761 WeakPolarHBondContact OE1-CD 3.41Å; E672-R761 IonicContact OE1-NH1 3.73Å; E672-R761 VanDerWaalsContact OE2-CD 3.22Å; E672-R761 WeakPolarHBondContact OE2-CD 3.33Å; E672-R761 IonicContact OE2-CZ 3.78Å; E672-R761 IonicContact OE2-NE 2.68Å; E672-R761 IonicContact OE2-NH1 2.67Å; E672-R761 PolarHBondContact OE2-NH1 2.96Å; I757-R761 PolarHBondContact O-N 3.31Å; H758-R761 WeakPolarHBondContact O-CB 3.31Å; H758-R761 PolarHBondContact O-N 2.93Å; H758-R761 VanDerWaalsContact O-N 3.13Å; R761-Q764 PolarHBondContact O-N 3.5Å; R761-N765 PolarHBondContact O-N 3.44Å
762	V	95.3	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-45.5	171.9	175.1	0	0	0	0	111.3	L676 L681 Y682 H758 L760 Q764 N765 N769 M771 L776	L676-V762 HydrophobicContact CD2-CG2 3.86Å; L681-V762 HydrophobicContact CD2-CB 4.48Å; L681-V762 HydrophobicContact CD2-CG1 3.84Å; L681-V762 HydrophobicContact CD2-CG2 3.79Å; Y682-V762 HydrophobicContact CE2-CG2 4.2Å; H758-V762 WeakPolarHBondContact O-CG2 3.44Å; H758-V762 PolarHBondContact O-N 3.34Å; L760-V762 VanDerWaalsContact C-N 3.34Å; V762-Q764 VanDerWaalsContact C-N 3.33Å; V762-Q764 PolarHBondContact O-N 3.3Å; V762-N765 PolarHBondContact O-N 2.92Å; V762-N769 PolarHBondContact O-ND2 2.9Å; V762-M771 HydrophobicContact CG1-CB 4.02Å; V762-L776 HydrophobicContact CB-CD1 4.24Å; V762-L776 HydrophobicContact CG1-CD1 4.02Å; V762-L776 HydrophobicContact CG1-CD2 3.99Å
763	A	94.4	Very high	94	Very high	12 Å²	12	50.5 Å²	50.5	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-30	178.9	0	0	0	0	0	113.8	L759 L760 N765 S766 M771 V773 L776	L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 2.99Å; L760-A763 PolarHBondContact O-N 2.85Å; A763-N765 VanDerWaalsContact C-N 3.33Å; A763-S766 WeakPolarHBondContact O-CB 3.5Å; A763-S766 PolarHBondContact O-N 2.9Å; A763-S766 PolarHBondContact O-OG 3.38Å; A763-M771 WeakPolarHBondContact CA-O 3.44Å; A763-V773 HydrophobicContact CB-CG2 3.69Å; A763-L776 HydrophobicContact CB-CD1 3.94Å
764	Q	94	Very high	94	Very high	156 Å²	156	52.8 Å²	52.8	73%	0.729	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-38.9	173.6	-77.7	166.3	-25.5	0	0	111.3	L760 R761 V762 S766	L760-Q764 VanDerWaalsContact O-CG 3.27Å; L760-Q764 WeakPolarHBondContact O-CG 3.43Å; L760-Q764 PolarHBondContact O-N 2.85Å; R761-Q764 PolarHBondContact O-N 3.5Å; V762-Q764 VanDerWaalsContact C-N 3.33Å; V762-Q764 PolarHBondContact O-N 3.3Å; Q764-S766 PolarHBondContact O-N 2.84Å
765	N	92.2	Very high	94	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.193	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	22.4	175	-151.8	26.5	0	0	0	114.1	L676 R761 V762 A763 A767 K768 N769	L676-N765 VanDerWaalsContact C-ND2 3.31Å; L676-N765 HydrophobicContact CB-CB 4.48Å; L676-N765 PolarHBondContact O-ND2 3.36Å; R761-N765 PolarHBondContact O-N 3.44Å; V762-N765 PolarHBondContact O-N 2.92Å; A763-N765 VanDerWaalsContact C-N 3.33Å; N765-A767 PolarHBondContact O-N 3.02Å; N765-A767 VanDerWaalsContact O-N 3.1Å; N765-K768 PolarHBondContact O-N 3.2Å; N765-N769 PolarHBondContact O-N 3.09Å; N765-N769 VanDerWaalsContact O-N 3.09Å; N765-N769 PolarHBondContact O-ND2 3.17Å
766	S	91.8	Very high	93.9	Very high	38 Å²	38	52.5 Å²	52.5	27%	0.266	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-14.8	-177.1	57.1	0	0	0	0	115	A763 Q764 K768 N769 R770	A763-S766 WeakPolarHBondContact O-CB 3.5Å; A763-S766 PolarHBondContact O-N 2.9Å; A763-S766 PolarHBondContact O-OG 3.38Å; Q764-S766 PolarHBondContact O-N 2.84Å; S766-K768 VanDerWaalsContact C-N 3.33Å; S766-N769 WeakPolarHBondContact CA-OD1 3.46Å; S766-R770 WeakPolarHBondContact O-CA 3.42Å; S766-R770 PolarHBondContact O-N 3.02Å
767	A	91.2	Very high	93.9	Very high	98 Å²	98	52.4 Å²	52.4	81%	0.81	26%	0.261	S	S	*	.	H	α-helix	trans	-64.1	-35.2	168.7	0	0	0	0	0	112.9	N765	N765-A767 PolarHBondContact O-N 3.02Å; N765-A767 VanDerWaalsContact O-N 3.1Å
768	K	89.7	Confident	93.7	Very high	107 Å²	107	54.5 Å²	54.5	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-93.2	-51.9	178.1	-66.1	-173.6	176.6	-176.8	0	112.1	E677 N765 S766	E677-K768 HydrophobicContact CB-CD 4.2Å; E677-K768 HydrophobicContact CG-CD 4.21Å; E677-K768 VanDerWaalsContact OE1-CD 3.23Å; E677-K768 WeakPolarHBondContact OE1-CD 3.21Å; E677-K768 WeakPolarHBondContact OE1-CE 3.16Å; E677-K768 IonicContact OE1-NZ 2.67Å; E677-K768 PolarHBondContact OE1-NZ 3.21Å; E677-K768 VanDerWaalsContact OE2-CD 3.31Å; E677-K768 WeakPolarHBondContact OE2-CD 3.49Å; E677-K768 IonicContact OE2-NZ 2.68Å; E677-K768 PolarHBondContact OE2-NZ 2.79Å; N765-K768 PolarHBondContact O-N 3.2Å; S766-K768 VanDerWaalsContact C-N 3.33Å
769	N	90.7	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-86	-5.2	-173	68.2	38.1	0	0	0	115.1	L676 T678 G680 L681 V762 N765 S766 M771	L676-N769 WeakPolarHBondContact O-CB 3.35Å; L676-N769 PolarHBondContact O-ND2 3.27Å; T678-N769 VanDerWaalsContact O-CB 3.24Å; T678-N769 WeakPolarHBondContact O-CB 3.15Å; G680-N769 PolarHBondContact N-O 2.81Å; L681-N769 HydrophobicContact CB-CB 4.43Å; V762-N769 PolarHBondContact O-ND2 2.9Å; N765-N769 PolarHBondContact O-N 3.09Å; N765-N769 VanDerWaalsContact O-N 3.09Å; N765-N769 PolarHBondContact O-ND2 3.17Å; S766-N769 WeakPolarHBondContact CA-OD1 3.46Å; N769-M771 PolarHBondContact O-N 2.66Å; N769-M771 VanDerWaalsContact O-N 3.16Å; N769-M771 WeakPolarHBondContact OD1-CA 3.27Å; N769-M771 VanDerWaalsContact OD1-CB 3.27Å; N769-M771 WeakPolarHBondContact OD1-CB 3.44Å; N769-M771 PolarHBondContact OD1-N 3.47Å
770	R	90	Very high	93.6	Very high	160 Å²	160	56 Å²	56	60%	0.604	28%	0.281	S	S	*	.			trans	61.6	11.6	-178.4	-54	-171.7	179	130.3	-6.3	116.1	D679 S766 Q772 N775	D679-R770 WeakPolarHBondContact OD1-CD 3.32Å; D679-R770 WeakPolarHBondContact OD1-CG 3.35Å; D679-R770 IonicContact OD1-CZ 3.74Å; D679-R770 IonicContact OD1-NE 3.72Å; D679-R770 IonicContact OD1-NH1 3.15Å; D679-R770 PolarHBondContact OD1-NH1 2.91Å; D679-R770 VanDerWaalsContact OD1-NH1 3.15Å; D679-R770 IonicContact OD2-CZ 3.85Å; D679-R770 IonicContact OD2-NH1 2.72Å; D679-R770 PolarHBondContact OD2-NH1 2.81Å; S766-R770 WeakPolarHBondContact O-CA 3.42Å; S766-R770 PolarHBondContact O-N 3.02Å; R770-Q772 PolarHBondContact O-N 2.94Å; R770-N775 PolarHBondContact O-ND2 3Å; R770-N775 VanDerWaalsContact O-ND2 3.14Å
771	M	91	Very high	93.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.			trans	-97.3	78.3	-176.1	-67.4	-60.6	-63.1	0	0	113.5	L681 Q683 V762 A763 N769 N775 L776	L681-M771 HydrophobicContact CB-CG 4.38Å; L681-M771 WeakPolarHBondContact O-CE 3.43Å; L681-M771 WeakPolarHBondContact O-CG 3.47Å; Q683-M771 HydrophobicContact CB-SD 4.12Å; Q683-M771 HydrophobicContact CG-CE 3.81Å; Q683-M771 HydrophobicContact CG-SD 3.56Å; Q683-M771 VanDerWaalsContact CG-SD 3.56Å; V762-M771 HydrophobicContact CG1-CB 4.02Å; A763-M771 WeakPolarHBondContact CA-O 3.44Å; N769-M771 PolarHBondContact O-N 2.66Å; N769-M771 VanDerWaalsContact O-N 3.16Å; N769-M771 WeakPolarHBondContact OD1-CA 3.27Å; N769-M771 VanDerWaalsContact OD1-CB 3.27Å; N769-M771 WeakPolarHBondContact OD1-CB 3.44Å; N769-M771 PolarHBondContact OD1-N 3.47Å; M771-N775 HydrophobicContact CE-CB 3.74Å; M771-N775 HydrophobicContact SD-CB 4.07Å; M771-L776 HydrophobicContact CB-CD2 4.07Å; M771-L776 HydrophobicContact CB-CG 4.17Å; M771-L776 HydrophobicContact CE-CD2 3.43Å; M771-L776 VanDerWaalsContact CE-CD2 3.43Å; M771-L776 HydrophobicContact CE-CG 3.88Å
772	Q	93.9	Very high	93.4	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	26%	0.261	S	S	*	.			trans	-60.2	159.1	169.1	-61.3	-176.5	4.4	0	0	112.3	R770 H774 N775 L776	R770-Q772 PolarHBondContact O-N 2.94Å; Q772-H774 PolarHBondContact O-N 2.95Å; Q772-H774 VanDerWaalsContact O-N 3.11Å; Q772-N775 WeakPolarHBondContact O-CB 3.21Å; Q772-N775 PolarHBondContact O-N 2.86Å; Q772-L776 PolarHBondContact O-N 3.21Å; Q772-L776 VanDerWaalsContact O-N 3.12Å
773	V	96.1	Very high	93.3	Very high	34 Å²	34	51 Å²	51	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-49.2	-40	177	178.2	0	0	0	0	112.7	A763 L776 A777 E846 L849 K850	A763-V773 HydrophobicContact CB-CG2 3.69Å; V773-L776 PolarHBondContact O-N 2.79Å; V773-A777 WeakPolarHBondContact O-CB 3.26Å; V773-A777 PolarHBondContact O-N 2.97Å; V773-E846 HydrophobicContact CG1-CG 4.11Å; V773-L849 HydrophobicContact CG1-CB 3.66Å; V773-L849 HydrophobicContact CG1-CD1 3.85Å; V773-L849 HydrophobicContact CG1-CG 4.38Å; V773-K850 HydrophobicContact CG1-CG 4.35Å
774	H	95.2	Very high	93.4	Very high	84 Å²	84	50.5 Å²	50.5	39%	0.389	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-44.8	177.1	-174.7	67.9	0	0	0	112.6	Q772 L776 A777 I778 E846	Q772-H774 PolarHBondContact O-N 2.95Å; Q772-H774 VanDerWaalsContact O-N 3.11Å; H774-L776 VanDerWaalsContact C-N 3.35Å; H774-L776 PolarHBondContact O-N 2.83Å; H774-A777 PolarHBondContact O-N 2.85Å; H774-I778 WeakPolarHBondContact O-CG1 3.49Å; H774-I778 PolarHBondContact O-N 3.32Å; H774-E846 IonicContact CE1-OE2 3.11Å; H774-E846 IonicContact CG-OE2 2.64Å; H774-E846 IonicContact ND1-OE2 3.57Å; H774-E846 PolarHBondContact ND1-OE2 2.91Å
775	N	95	Very high	93.2	Very high	41 Å²	41	43.2 Å²	43.2	22%	0.219	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-42.5	177.9	-69.2	-5.3	0	0	0	111.3	R770 M771 Q772 V779	R770-N775 PolarHBondContact O-ND2 3Å; R770-N775 VanDerWaalsContact O-ND2 3.14Å; M771-N775 HydrophobicContact CE-CB 3.74Å; M771-N775 HydrophobicContact SD-CB 4.07Å; Q772-N775 WeakPolarHBondContact O-CB 3.21Å; Q772-N775 PolarHBondContact O-N 2.86Å; N775-V779 WeakPolarHBondContact O-CG2 3.41Å; N775-V779 PolarHBondContact O-N 2.9Å
776	L	95.8	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-40.9	176.3	-64.6	167	0	0	0	111.5	Y682 L759 V762 A763 M771 Q772 V773 H774 I778 V779 F780	Y682-L776 HydrophobicContact CD2-CD2 4.19Å; L759-L776 HydrophobicContact CB-CD1 4.4Å; L759-L776 HydrophobicContact CD2-CD2 4.03Å; L759-L776 VanDerWaalsContact O-CD1 3.25Å; L759-L776 WeakPolarHBondContact O-CD1 3.42Å; V762-L776 HydrophobicContact CB-CD1 4.24Å; V762-L776 HydrophobicContact CG1-CD1 4.02Å; V762-L776 HydrophobicContact CG1-CD2 3.99Å; A763-L776 HydrophobicContact CB-CD1 3.94Å; M771-L776 HydrophobicContact CB-CD2 4.07Å; M771-L776 HydrophobicContact CB-CG 4.17Å; M771-L776 HydrophobicContact CE-CD2 3.43Å; M771-L776 VanDerWaalsContact CE-CD2 3.43Å; M771-L776 HydrophobicContact CE-CG 3.88Å; Q772-L776 PolarHBondContact O-N 3.21Å; Q772-L776 VanDerWaalsContact O-N 3.12Å; V773-L776 PolarHBondContact O-N 2.79Å; H774-L776 VanDerWaalsContact C-N 3.35Å; H774-L776 PolarHBondContact O-N 2.83Å; L776-I778 PolarHBondContact O-N 3.26Å; L776-V779 PolarHBondContact O-N 3.13Å; L776-F780 WeakPolarHBondContact O-CD2 3.17Å; L776-F780 PolarHBondContact O-N 3.07Å
777	A	96	Very high	90.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-37.9	178.2	0	0	0	0	0	113.1	V773 H774 G781 V845 E846	V773-A777 WeakPolarHBondContact O-CB 3.26Å; V773-A777 PolarHBondContact O-N 2.97Å; H774-A777 PolarHBondContact O-N 2.85Å; A777-G781 WeakPolarHBondContact O-CA 3.35Å; A777-G781 PolarHBondContact O-N 2.81Å; A777-V845 HydrophobicContact CB-CB 4.31Å; A777-V845 HydrophobicContact CB-CG1 4.17Å; A777-E846 HydrophobicContact CB-CB 3.61Å; A777-E846 HydrophobicContact CB-CG 4.1Å
778	I	93.5	Very high	88.1	Confident	99 Å²	99	41.3 Å²	41.3	51%	0.508	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-43.4	172.4	-69.7	166.6	0	0	0	111.3	H774 L776 P782	H774-I778 WeakPolarHBondContact O-CG1 3.49Å; H774-I778 PolarHBondContact O-N 3.32Å; L776-I778 PolarHBondContact O-N 3.26Å; I778-P782 VanDerWaalsContact O-CD 3.26Å; I778-P782 WeakPolarHBondContact O-CD 3.42Å
779	V	93.1	Very high	86.1	Confident	32 Å²	32	40.6 Å²	40.6	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-39.6	-179.4	172.5	0	0	0	0	112.2	Q683 K702 N775 L776 T783	Q683-V779 HydrophobicContact CG-CG2 4.28Å; K702-V779 HydrophobicContact CD-CG1 3.66Å; N775-V779 WeakPolarHBondContact O-CG2 3.41Å; N775-V779 PolarHBondContact O-N 2.9Å; L776-V779 PolarHBondContact O-N 3.13Å; V779-T783 PolarHBondContact O-OG1 2.67Å
780	F	95.7	Very high	84.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-91.8	-27.9	-174.3	-82.7	-88.7	0	0	0	114.6	Y682 K702 L755 L759 L776 T783 L784 V845	Y682-F780 AromaticContact CD1-CE2 3.78Å; Y682-F780 HydrophobicContact CD1-CE2 3.78Å; Y682-F780 AromaticContact CD1-CZ 3.73Å; Y682-F780 HydrophobicContact CD1-CZ 3.73Å; Y682-F780 HydrophobicContact CD2-CE2 4.44Å; Y682-F780 HydrophobicContact CE1-CE2 4.03Å; Y682-F780 AromaticContact CE1-CZ 3.58Å; Y682-F780 HydrophobicContact CE1-CZ 3.58Å; Y682-F780 AromaticContact CG-CE2 3.98Å; Y682-F780 HydrophobicContact CG-CE2 3.98Å; Y682-F780 HydrophobicContact CG-CZ 4.37Å; K702-F780 HydrophobicContact CG-CE1 4.23Å; K702-F780 HydrophobicContact CG-CE2 4.42Å; K702-F780 HydrophobicContact CG-CZ 3.88Å; L755-F780 HydrophobicContact CD1-CE1 4.02Å; L755-F780 HydrophobicContact CD1-CZ 4.42Å; L755-F780 HydrophobicContact CD2-CD1 4.16Å; L755-F780 HydrophobicContact CD2-CE1 4.2Å; L759-F780 HydrophobicContact CD1-CD1 4.28Å; L759-F780 HydrophobicContact CD1-CD2 3.89Å; L759-F780 HydrophobicContact CD1-CE2 4.16Å; L759-F780 HydrophobicContact CD1-CG 3.95Å; L759-F780 HydrophobicContact CD1-CZ 4.44Å; L759-F780 HydrophobicContact CD2-CD2 3.85Å; L759-F780 HydrophobicContact CD2-CE2 3.4Å; L759-F780 VanDerWaalsContact CD2-CE2 3.4Å; L759-F780 HydrophobicContact CD2-CZ 3.86Å; L759-F780 HydrophobicContact CG-CE2 4.42Å; L776-F780 WeakPolarHBondContact O-CD2 3.17Å; L776-F780 PolarHBondContact O-N 3.07Å; F780-T783 WeakPolarHBondContact O-CB 3.44Å; F780-T783 PolarHBondContact O-N 3.37Å; F780-L784 HydrophobicContact CB-CD1 4.21Å; F780-L784 HydrophobicContact CB-CG 4.27Å; F780-L784 HydrophobicContact CD1-CD1 4.32Å; F780-L784 HydrophobicContact CD1-CD2 4.08Å; F780-L784 HydrophobicContact CD1-CG 4.14Å; F780-L784 WeakPolarHBondContact O-CG 3.33Å; F780-L784 PolarHBondContact O-N 2.73Å; F780-V845 HydrophobicContact CB-CG1 4.4Å
781	G	95.1	Very high	81.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-49.1	-60.3	-179.5	0	0	0	0	0	113.7	A777 T783 F785 H841	A777-G781 WeakPolarHBondContact O-CA 3.35Å; A777-G781 PolarHBondContact O-N 2.81Å; G781-T783 VanDerWaalsContact C-N 3.26Å; G781-T783 PolarHBondContact O-N 3.21Å; G781-F785 WeakPolarHBondContact O-CD2 3.43Å; G781-F785 PolarHBondContact O-N 2.92Å; G781-H841 WeakPolarHBondContact O-CB 3.37Å
782	P	91.9	Very high	79.2	Confident	33 Å²	33	50 Å²	50	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-30.5	177.5	-23.3	34.9	0	0	0	114	I778 C786 M838	I778-P782 VanDerWaalsContact O-CD 3.26Å; I778-P782 WeakPolarHBondContact O-CD 3.42Å; P782-C786 PolarHBondContact O-N 2.92Å; P782-M838 HydrophobicContact CB-CE 4.17Å; P782-M838 HydrophobicContact CB-CG 4.29Å; P782-M838 HydrophobicContact CG-CB 4.2Å; P782-M838 HydrophobicContact CG-CE 3.81Å; P782-M838 HydrophobicContact CG-CG 4.12Å
783	T	93.3	Very high	76.6	Confident	19 Å²	19	51 Å²	51	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-74.9	-39.3	-177.9	-67	0	0	0	0	112.7	K702 F705 R706 V779 F780 G781 C786	K702-T783 WeakPolarHBondContact O-CG2 3.38Å; F705-T783 HydrophobicContact CB-CG2 3.8Å; R706-T783 HydrophobicContact CB-CG2 4.28Å; V779-T783 PolarHBondContact O-OG1 2.67Å; F780-T783 WeakPolarHBondContact O-CB 3.44Å; F780-T783 PolarHBondContact O-N 3.37Å; G781-T783 VanDerWaalsContact C-N 3.26Å; G781-T783 PolarHBondContact O-N 3.21Å; T783-C786 PolarHBondContact O-SG 3.21Å; T783-C786 VanDerWaalsContact O-SG 3.37Å
784	L	95.3	Very high	73.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-83.8	-21.2	-176.8	-59.5	-174.6	0	0	0	113.6	F705 P711 L712 F713 L752 L755 F780 V845	F705-L784 HydrophobicContact CB-CD2 3.86Å; F705-L784 HydrophobicContact CD1-CD2 4.12Å; F705-L784 HydrophobicContact CD2-CD2 4.22Å; F705-L784 HydrophobicContact CG-CD2 3.8Å; P711-L784 WeakPolarHBondContact CB-O 3.35Å; L712-L784 HydrophobicContact CB-CD2 4.28Å; L712-L784 HydrophobicContact CD2-CD1 4.35Å; L712-L784 HydrophobicContact CD2-CD2 3.8Å; L712-L784 PolarHBondContact N-O 3.14Å; F713-L784 HydrophobicContact CD2-CB 3.78Å; F713-L784 HydrophobicContact CE2-CB 3.84Å; F713-L784 HydrophobicContact CE2-CD1 4.13Å; F713-L784 PolarHBondContact N-O 3.27Å; L752-L784 HydrophobicContact CD1-CD1 4.29Å; L755-L784 HydrophobicContact CD2-CD1 3.75Å; L755-L784 HydrophobicContact CD2-CD2 3.66Å; L755-L784 HydrophobicContact CD2-CG 4.32Å; F780-L784 HydrophobicContact CB-CD1 4.21Å; F780-L784 HydrophobicContact CB-CG 4.27Å; F780-L784 HydrophobicContact CD1-CD1 4.32Å; F780-L784 HydrophobicContact CD1-CD2 4.08Å; F780-L784 HydrophobicContact CD1-CG 4.14Å; F780-L784 WeakPolarHBondContact O-CG 3.33Å; F780-L784 PolarHBondContact O-N 2.73Å; L784-V845 HydrophobicContact CD1-CG2 4.32Å
785	F	91	Very high	70.5	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-101.3	-9.7	179	-78.4	-92.3	0	0	0	114.3	F713 V718 F721 G781 H841 I844 V845	F713-F785 HydrophobicContact CB-CD1 3.92Å; F713-F785 HydrophobicContact CB-CE1 3.72Å; F713-F785 HydrophobicContact CB-CE2 4.49Å; F713-F785 HydrophobicContact CB-CG 4.37Å; F713-F785 HydrophobicContact CB-CZ 4.01Å; F713-F785 HydrophobicContact CD1-CE1 4.04Å; F713-F785 HydrophobicContact CD1-CE2 4.23Å; F713-F785 AromaticContact CD1-CZ 3.61Å; F713-F785 HydrophobicContact CD1-CZ 3.61Å; F713-F785 HydrophobicContact CD2-CD1 4.4Å; F713-F785 AromaticContact CD2-CD2 3.68Å; F713-F785 HydrophobicContact CD2-CD2 3.68Å; F713-F785 HydrophobicContact CD2-CE1 4.1Å; F713-F785 AromaticContact CD2-CE2 3.32Å; F713-F785 HydrophobicContact CD2-CE2 3.32Å; F713-F785 HydrophobicContact CD2-CG 4.2Å; F713-F785 AromaticContact CD2-CZ 3.53Å; F713-F785 HydrophobicContact CD2-CZ 3.53Å; F713-F785 HydrophobicContact CE1-CE2 4.31Å; F713-F785 AromaticContact CE1-CZ 3.89Å; F713-F785 HydrophobicContact CE1-CZ 3.89Å; F713-F785 HydrophobicContact CE2-CD2 4.08Å; F713-F785 AromaticContact CE2-CE2 3.43Å; F713-F785 HydrophobicContact CE2-CE2 3.43Å; F713-F785 VanDerWaalsContact CE2-CE2 3.43Å; F713-F785 AromaticContact CE2-CZ 3.83Å; F713-F785 HydrophobicContact CE2-CZ 3.83Å; F713-F785 HydrophobicContact CG-CD1 4.2Å; F713-F785 HydrophobicContact CG-CD2 4.26Å; F713-F785 AromaticContact CG-CE1 3.68Å; F713-F785 HydrophobicContact CG-CE1 3.68Å; F713-F785 AromaticContact CG-CE2 3.76Å; F713-F785 HydrophobicContact CG-CE2 3.76Å; F713-F785 HydrophobicContact CG-CG 4.45Å; F713-F785 AromaticContact CG-CZ 3.41Å; F713-F785 HydrophobicContact CG-CZ 3.41Å; F713-F785 VanDerWaalsContact CG-CZ 3.41Å; F713-F785 AromaticContact CZ-CE2 3.93Å; F713-F785 HydrophobicContact CZ-CE2 3.93Å; F713-F785 AromaticContact CZ-CZ 4Å; F713-F785 HydrophobicContact CZ-CZ 4Å; V718-F785 HydrophobicContact CB-CD1 4.38Å; V718-F785 HydrophobicContact CG1-CD1 3.84Å; V718-F785 HydrophobicContact CG1-CE1 4.23Å; V718-F785 HydrophobicContact CG2-CD1 3.87Å; V718-F785 HydrophobicContact CG2-CE1 4.18Å; F721-F785 HydrophobicContact CB-CE1 4.49Å; G781-F785 WeakPolarHBondContact O-CD2 3.43Å; G781-F785 PolarHBondContact O-N 2.92Å; F785-H841 HydrophobicContact CB-CB 4.18Å; F785-H841 WeakPolarHBondContact CB-ND1 3.45Å; F785-H841 AromaticContact CD1-CD2 3.48Å; F785-H841 VanDerWaalsContact CD1-CD2 3.48Å; F785-H841 WeakPolarHBondContact CD1-CD2 3.42Å; F785-H841 AromaticContact CD1-NE2 3.76Å; F785-H841 HydrophobicContact CD2-CB 3.71Å; F785-H841 AromaticContact CD2-CD2 3.95Å; F785-H841 AromaticContact CD2-CG 3.84Å; F785-H841 HydrophobicContact CE2-CB 4.32Å; F785-H841 HydrophobicContact CG-CB 3.98Å; F785-H841 AromaticContact CG-CD2 3.43Å; F785-H841 VanDerWaalsContact CG-CD2 3.43Å; F785-H841 WeakPolarHBondContact CG-CD2 3.35Å; F785-H841 AromaticContact CG-CG 3.56Å; F785-H841 AromaticContact CG-NE2 3.89Å; F785-I844 HydrophobicContact CE1-CD1 4.35Å; F785-I844 HydrophobicContact CE2-CB 4.33Å; F785-I844 HydrophobicContact CE2-CG2 4.01Å; F785-I844 HydrophobicContact CZ-CB 4.21Å; F785-I844 HydrophobicContact CZ-CD1 4.04Å; F785-I844 HydrophobicContact CZ-CG2 3.65Å; F785-V845 HydrophobicContact CE2-CG2 4.24Å
786	C	69.9	Low	67.6	Low	20 Å²	20	62 Å²	62	14%	0.135	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	35.4	81.9	-177.6	-71.1	0	0	0	0	114.7	P711 P782 T783 S788	P711-C786 HydrophobicContact CB-CB 3.97Å; P711-C786 HydrophobicContact CG-CB 4.33Å; P782-C786 PolarHBondContact O-N 2.92Å; T783-C786 PolarHBondContact O-SG 3.21Å; T783-C786 VanDerWaalsContact O-SG 3.37Å; C786-S788 PolarHBondContact O-N 3.22Å
787	S	54.5	Low	64.5	Low	33 Å²	33	67.6 Å²	67.6	23%	0.231	39%	0.388	C	S	.	.	S	Bend	trans	-69.5	20.5	-173.6	-49.9	0	0	0	0	116.3	H841	S787-H841 PolarHBondContact OG-CE1 3.05Å; S787-H841 VanDerWaalsContact OG-CE1 3.3Å; S787-H841 PolarHBondContact OG-ND1 2.9Å
788	S	44	Very low	61.3	Low	78 Å²	78	70.8 Å²	70.8	55%	0.545	42%	0.421	S	S	.	.	S	Bend	trans	-115.9	112.9	170	59	0	0	0	0	109.8	C786 K790	C786-S788 PolarHBondContact O-N 3.22Å; S788-K790 PolarHBondContact O-N 2.87Å
789	P	47.2	Very low	58.4	Low	92 Å²	92	74.1 Å²	74.1	60%	0.597	43%	0.434	S	S	*	.			trans	-66.3	102.8	169.3	27.8	-32.2	0	0	0	108.9
790	K	48.4	Very low	55.3	Low	99 Å²	99	77.5 Å²	77.5	43%	0.43	47%	0.465	S	S	.	.			trans	-57	125.8	158.4	-67.1	173.1	-177	173.6	0	105.6	E707 L708 S788 D792	E707-K790 PolarHBondContact O-NZ 3.07Å; L708-K790 PolarHBondContact O-NZ 3.18Å; S788-K790 PolarHBondContact O-N 2.87Å; K790-D792 PolarHBondContact O-N 3.05Å
791	P	39.6	Very low	52.4	Low	122 Å²	122	88.7 Å²	88.7	79%	0.792	51%	0.508	S	S	*	.			trans	-73.5	91.4	-172.5	27.3	-34.1	0	0	0	110.3	K793	P791-K793 PolarHBondContact O-N 3.34Å
792	D	39.8	Very low	49.4	Very low	136 Å²	136	98.4 Å²	98.4	73%	0.727	55%	0.55	S	S	*	.			trans	-59.7	101.9	169.5	-75	-38.3	0	0	0	109	K790 P794	K790-D792 PolarHBondContact O-N 3.05Å; D792-P794 VanDerWaalsContact O-CD 3.28Å; D792-P794 WeakPolarHBondContact O-CD 3.42Å; D792-P794 VanDerWaalsContact O-N 3.14Å
793	K	37.9	Very low	46.9	Very low	144 Å²	144	106.7 Å²	106.7	63%	0.626	58%	0.582	S	S	*	*			trans	-60.1	115.8	170.7	-61.4	176.6	-174.1	174.7	0	106.9	E631 P791 N795	E631-K793 IonicContact OE1-NZ 3.67Å; E631-K793 PolarHBondContact OE1-NZ 3.03Å; E631-K793 IonicContact OE2-NZ 2.73Å; P791-K793 PolarHBondContact O-N 3.34Å; K793-N795 PolarHBondContact O-N 3.48Å
794	P	33.7	Very low	44.2	Very low	107 Å²	107	114 Å²	114	70%	0.695	62%	0.62	S	S	*	*			trans	-62.4	129.1	176	27.3	-34	0	0	0	107.9	D792 V796	D792-P794 VanDerWaalsContact O-CD 3.28Å; D792-P794 WeakPolarHBondContact O-CD 3.42Å; D792-P794 VanDerWaalsContact O-N 3.14Å; P794-V796 HydrophobicContact CB-CG2 4.12Å; P794-V796 HydrophobicContact CG-CG2 4.33Å; P794-V796 PolarHBondContact O-N 3.47Å
795	N	30	Very low	41.2	Very low	165 Å²	165	117.1 Å²	117.1	88%	0.882	65%	0.652	S	S	*	*			trans	-78.2	59	-172.8	-136	-2.1	0	0	0	110.7	K793 V797	K793-N795 PolarHBondContact O-N 3.48Å; N795-V797 PolarHBondContact O-N 2.85Å
796	V	34.8	Very low	38.4	Very low	117 Å²	117	126.4 Å²	126.4	71%	0.709	69%	0.692	S	S	*	*			trans	-76.1	106.4	179.5	-177.2	0	0	0	0	108	P794 G798	P794-V796 HydrophobicContact CB-CG2 4.12Å; P794-V796 HydrophobicContact CG-CG2 4.33Å; P794-V796 PolarHBondContact O-N 3.47Å; V796-G798 VanDerWaalsContact C-N 3.27Å; V796-G798 PolarHBondContact O-N 3.02Å
797	V	29.7	Very low	36.6	Very low	119 Å²	119	134.2 Å²	134.2	72%	0.721	72%	0.724	S	S	*	*			trans	-65	89.3	172.4	-179.9	0	0	0	0	108.7	N795 H799	N795-V797 PolarHBondContact O-N 2.85Å; V797-H799 VanDerWaalsContact C-N 3.29Å; V797-H799 PolarHBondContact O-N 3.11Å
798	G	28.1	Very low	35.5	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	75%	0.753	S	S	*	*			trans	-73.5	72.9	-172.8	0	0	0	0	0	113.2	V796 A800	V796-G798 VanDerWaalsContact C-N 3.27Å; V796-G798 PolarHBondContact O-N 3.02Å; G798-A800 PolarHBondContact O-N 3.37Å
799	H	33.7	Very low	34.9	Very low	169 Å²	169	138.7 Å²	138.7	78%	0.782	76%	0.76	S	S	*	*			trans	-55.5	111.7	170.3	-86.1	-72.8	0	0	0	110.4	V797 R801	V797-H799 VanDerWaalsContact C-N 3.29Å; V797-H799 PolarHBondContact O-N 3.11Å; H799-R801 PolarHBondContact O-N 3.4Å
800	A	28.5	Very low	34.1	Very low	104 Å²	104	143 Å²	143	86%	0.86	78%	0.776	S	S	*	*			trans	-68.9	90.5	-173.1	0	0	0	0	0	112.2	G798	G798-A800 PolarHBondContact O-N 3.37Å
801	R	33.4	Very low	33.4	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	79%	0.793	S	S	*	*			trans	-100.2	85.7	176.8	-155.7	169.7	-163.5	171.4	4.9	112.1	H799 K803	H799-R801 PolarHBondContact O-N 3.4Å; R801-K803 PolarHBondContact O-N 3.43Å
802	K	33.4	Very low	32.9	Very low	203 Å²	203	142 Å²	142	88%	0.883	80%	0.796	S	S	*	*			trans	-49.7	125.4	157.5	-77.7	176.9	173.9	175	0	109
803	K	38.5	Very low	32.5	Very low	207 Å²	207	141.6 Å²	141.6	90%	0.9	81%	0.805	S	S	*	*			trans	-150.8	139.4	141.4	-119.2	179.8	-175.8	-169.6	0	113.2	R801	R801-K803 PolarHBondContact O-N 3.43Å
804	L	35.8	Very low	32.1	Very low	174 Å²	174	145 Å²	145	91%	0.911	82%	0.819	S	S	*	*			trans	-92.2	143.8	-165.1	180	70.5	0	0	0	111.7
805	G	33.5	Very low	32	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	82%	0.823	S	S	*	*			trans	42	99.1	140.2	0	0	0	0	0	121.9
806	K	32	Very low	32	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.865	83%	0.825	S	S	*	*				51.9	104.7	110.7	-171.5	-175.7	-174.1	177.2	0	119.1
807	K	32.5	Very low	31.9	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	83%	0.827	S	S	*	*				179.6	138.7	123.8	-103.7	179.5	-179.3	-175.6	0	115.2
808	T	31.3	Very low	31.9	Very low	137 Å²	137	143.7 Å²	143.7	84%	0.84	83%	0.825	S	S	*	*			trans	58.5	145.6	146.2	52.8	0	0	0	0	123.4
809	G	31.9	Very low	32.1	Very low	68 Å²	68	148.9 Å²	148.9	70%	0.701	83%	0.831	S	S	*	*			trans	94.8	105.1	-179.9	0	0	0	0	0	111.3
810	I	30.4	Very low	32	Very low	182 Å²	182	145.5 Å²	145.5	93%	0.933	83%	0.832	S	S	*	*				56.8	101	52.8	-50.6	-179.4	0	0	0	111.4
811	G	32.5	Very low	32.2	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	83%	0.827	S	S	*	*			trans	163.2	101	179	0	0	0	0	0	111.6
812	S	28.8	Very low	32.2	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	81%	0.814	S	S	*	*			trans	-83.8	128.9	-175.7	-57.6	0	0	0	0	112.5
813	S	32.2	Very low	32.2	Very low	129 Å²	129	135 Å²	135	90%	0.902	81%	0.81	S	S	*	*			trans	-163.8	156.6	154.9	-90.7	0	0	0	0	113
814	K	29.4	Very low	31.9	Very low	214 Å²	214	134.2 Å²	134.2	93%	0.93	80%	0.803	S	S	*	*			trans	-77.2	140.7	-172.6	-61.2	169.8	-179.9	173.2	0	112.1
815	A	31.6	Very low	31.9	Very low	95 Å²	95	130.8 Å²	130.8	79%	0.785	79%	0.791	S	S	*	*			trans	-148.1	150.3	162.3	0	0	0	0	0	110.7
816	H	29.5	Very low	32	Very low	197 Å²	197	135.3 Å²	135.3	91%	0.912	80%	0.8	S	S	*	*			trans	-63	132.8	-177.6	-105.4	-106.4	0	0	0	112.7	G818	H816-G818 PolarHBondContact O-N 3.43Å
817	V	33.5	Very low	32.7	Very low	123 Å²	123	130.9 Å²	130.9	75%	0.745	79%	0.789	S	S	*	*			trans	-87.6	95.6	171.5	-178.8	0	0	0	0	109.8	H819	V817-H819 PolarHBondContact O-N 3.25Å
818	G	30.2	Very low	33.6	Very low	66 Å²	66	128.1 Å²	128.1	68%	0.68	79%	0.788	S	S	*	*			trans	-66.2	127.8	161.7	0	0	0	0	0	110.1	H816 A820	H816-G818 PolarHBondContact O-N 3.43Å; G818-A820 PolarHBondContact O-N 3.48Å
819	H	32.2	Very low	35	Very low	176 Å²	176	125.3 Å²	125.3	82%	0.815	77%	0.765	S	S	*	*			trans	-70.4	95.6	176.6	-89.2	24.2	0	0	0	111.1	V817 V821	V817-H819 PolarHBondContact O-N 3.25Å; H819-V821 PolarHBondContact O-N 3Å; H819-V821 VanDerWaalsContact O-N 3.14Å
820	A	30.3	Very low	37.1	Very low	99 Å²	99	126 Å²	126	82%	0.818	76%	0.755	S	S	*	*			trans	-66.8	107	165.2	0	0	0	0	0	109	G818 A822	G818-A820 PolarHBondContact O-N 3.48Å; A820-A822 PolarHBondContact O-N 3.43Å; A820-A822 VanDerWaalsContact O-N 3.11Å
821	V	33.7	Very low	39.4	Very low	123 Å²	123	123.7 Å²	123.7	75%	0.745	75%	0.745	S	S	*	*			trans	-63.3	113.1	178.2	178.7	0	0	0	0	109	H819	H819-V821 PolarHBondContact O-N 3Å; H819-V821 VanDerWaalsContact O-N 3.14Å
822	A	32.8	Very low	41.8	Very low	75 Å²	75	124.1 Å²	124.1	62%	0.62	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-62.1	144.3	172.8	0	0	0	0	0	110	A820 Y824	A820-A822 PolarHBondContact O-N 3.43Å; A820-A822 VanDerWaalsContact O-N 3.11Å; A822-Y824 PolarHBondContact O-N 2.75Å
823	P	33.9	Very low	44.3	Very low	123 Å²	123	122.4 Å²	122.4	80%	0.799	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-59.3	130.2	174.5	26.2	-33.8	0	0	0	109.1
824	Y	32.1	Very low	46.8	Very low	191 Å²	191	119.2 Å²	119.2	75%	0.749	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-55.7	131	178.6	-84.7	-104.9	0	0	0	109.4	A822	A822-Y824 PolarHBondContact O-N 2.75Å
825	P	35.9	Very low	49.6	Very low	102 Å²	102	110.6 Å²	110.6	66%	0.662	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62.5	153.8	168.1	28.4	-33.1	0	0	0	109.3	V827	P825-V827 HydrophobicContact CG-CG2 4.13Å; P825-V827 PolarHBondContact O-N 2.62Å
826	D	36.4	Very low	52.4	Low	159 Å²	159	110.9 Å²	110.9	85%	0.85	64%	0.639	S	S	*	*			trans	-73.4	77.2	-178.6	-159.5	1.1	0	0	0	110.3	V828	D826-V828 VanDerWaalsContact C-N 3.35Å; D826-V828 PolarHBondContact O-N 2.66Å
827	V	45.5	Very low	55.3	Low	106 Å²	106	102 Å²	102	64%	0.642	60%	0.599	S	S	*	*			trans	-74.2	91.1	-179.6	-177.6	0	0	0	0	108.4	P825 Q829	P825-V827 HydrophobicContact CG-CG2 4.13Å; P825-V827 PolarHBondContact O-N 2.62Å; V827-Q829 PolarHBondContact O-N 3.31Å
828	V	51.2	Low	58	Low	126 Å²	126	100 Å²	100	76%	0.764	58%	0.583	S	S	*	*			trans	-49.4	106.3	164.9	179.6	0	0	0	0	108.1	D826 T830	D826-V828 VanDerWaalsContact C-N 3.35Å; D826-V828 PolarHBondContact O-N 2.66Å; V828-T830 PolarHBondContact O-N 2.92Å
829	Q	60.8	Low	60.9	Low	78 Å²	78	100.1 Å²	100.1	36%	0.364	57%	0.567	S	S	.	*			trans	-61.4	132.1	-179.5	-66.9	-172.1	6.9	0	0	109.2	V827 H833	V827-Q829 PolarHBondContact O-N 3.31Å; Q829-H833 PolarHBondContact OE1-ND1 3.38Å; Q829-H833 VanDerWaalsContact OE1-ND1 3.17Å
830	T	76.1	Confident	63.9	Low	82 Å²	82	92.2 Å²	92.2	50%	0.503	53%	0.531	S	S	.	.			trans	-65	150.3	174.4	60	0	0	0	0	109.8	V828 S832 H833 L834	V828-T830 PolarHBondContact O-N 2.92Å; T830-S832 PolarHBondContact O-N 3.43Å; T830-S832 VanDerWaalsContact O-N 3.08Å; T830-S832 PolarHBondContact OG1-OG 3.25Å; T830-H833 WeakPolarHBondContact O-CA 3.29Å; T830-H833 WeakPolarHBondContact O-CB 3.42Å; T830-H833 PolarHBondContact O-N 2.81Å; T830-H833 WeakPolarHBondContact OG1-CB 3.32Å; T830-H833 PolarHBondContact OG1-N 2.94Å; T830-L834 PolarHBondContact O-N 3.36Å
831	N	79.4	Confident	67	Low	134 Å²	134	87.9 Å²	87.9	72%	0.717	49%	0.493	S	S	*	.	H	α-helix	trans	-54.8	-31.1	175.1	-65.2	-3	0	0	0	112	A835	N831-A835 VanDerWaalsContact O-CB 3.25Å; N831-A835 WeakPolarHBondContact O-CB 3.35Å; N831-A835 PolarHBondContact O-N 2.93Å
832	S	82.2	Confident	69.9	Low	86 Å²	86	82.4 Å²	82.4	60%	0.601	46%	0.462	S	S	*	.	H	α-helix	trans	-67.2	-40.3	173	50.9	0	0	0	0	113.6	T830 F836	T830-S832 PolarHBondContact O-N 3.43Å; T830-S832 VanDerWaalsContact O-N 3.08Å; T830-S832 PolarHBondContact OG1-OG 3.25Å; S832-F836 WeakPolarHBondContact O-CB 3.33Å; S832-F836 PolarHBondContact O-N 2.98Å
833	H	82.2	Confident	72.9	Confident	87 Å²	87	82.5 Å²	82.5	40%	0.403	45%	0.45	S	S	.	.	H	α-helix	trans	-67.2	-44.6	174.5	-176.7	-77.1	0	0	0	111.1	Q829 T830 F836 S837	Q829-H833 PolarHBondContact OE1-ND1 3.38Å; Q829-H833 VanDerWaalsContact OE1-ND1 3.17Å; T830-H833 WeakPolarHBondContact O-CA 3.29Å; T830-H833 WeakPolarHBondContact O-CB 3.42Å; T830-H833 PolarHBondContact O-N 2.81Å; T830-H833 WeakPolarHBondContact OG1-CB 3.32Å; T830-H833 PolarHBondContact OG1-N 2.94Å; H833-F836 PolarHBondContact O-N 2.89Å; H833-S837 PolarHBondContact O-N 2.73Å; H833-S837 PolarHBondContact O-OG 2.81Å
834	L	84.7	Confident	75.9	Confident	62 Å²	62	76.7 Å²	76.7	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-46.5	176.9	179.3	60.1	0	0	0	111.5	T830 F836 S837 M838	T830-L834 PolarHBondContact O-N 3.36Å; L834-F836 PolarHBondContact O-N 3.3Å; L834-S837 PolarHBondContact O-N 2.97Å; L834-M838 HydrophobicContact CD1-CG 4.4Å; L834-M838 HydrophobicContact CD1-SD 4.3Å; L834-M838 HydrophobicContact CG-SD 4.12Å; L834-M838 WeakPolarHBondContact O-CG 3.49Å; L834-M838 PolarHBondContact O-N 3.28Å
835	A	86.9	Confident	79	Confident	32 Å²	32	67.6 Å²	67.6	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-43	176	0	0	0	0	0	112.2	N831 M838 I839	N831-A835 VanDerWaalsContact O-CB 3.25Å; N831-A835 WeakPolarHBondContact O-CB 3.35Å; N831-A835 PolarHBondContact O-N 2.93Å; A835-M838 PolarHBondContact O-N 3.34Å; A835-I839 VanDerWaalsContact O-CG1 3.32Å; A835-I839 WeakPolarHBondContact O-CG1 3.19Å; A835-I839 PolarHBondContact O-N 3.14Å
836	F	90.1	Very high	81.9	Confident	101 Å²	101	64.6 Å²	64.6	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-49.1	174	174.8	-99.7	0	0	0	111.7	S832 H833 L834 M838 I839 M840	S832-F836 WeakPolarHBondContact O-CB 3.33Å; S832-F836 PolarHBondContact O-N 2.98Å; H833-F836 PolarHBondContact O-N 2.89Å; L834-F836 PolarHBondContact O-N 3.3Å; F836-M838 PolarHBondContact O-N 2.87Å; F836-I839 PolarHBondContact O-N 3.16Å; F836-M840 HydrophobicContact CD1-CG 4.16Å; F836-M840 HydrophobicContact CD2-CG 4.26Å; F836-M840 HydrophobicContact CE1-CG 3.77Å; F836-M840 HydrophobicContact CE1-SD 4.43Å; F836-M840 HydrophobicContact CE2-CG 3.88Å; F836-M840 HydrophobicContact CE2-SD 3.95Å; F836-M840 HydrophobicContact CG-CG 4.39Å; F836-M840 HydrophobicContact CZ-CE 4.4Å; F836-M840 HydrophobicContact CZ-CG 3.62Å; F836-M840 HydrophobicContact CZ-SD 3.74Å; F836-M840 WeakPolarHBondContact O-CB 3.41Å; F836-M840 WeakPolarHBondContact O-CG 3.41Å; F836-M840 PolarHBondContact O-N 3.48Å
837	S	90.3	Very high	84.8	Confident	10 Å²	10	58 Å²	58	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-44.8	175.2	-72.9	0	0	0	0	112.2	H833 L834 I839 M840 H841	H833-S837 PolarHBondContact O-N 2.73Å; H833-S837 PolarHBondContact O-OG 2.81Å; L834-S837 PolarHBondContact O-N 2.97Å; S837-I839 PolarHBondContact O-N 2.95Å; S837-M840 PolarHBondContact O-N 3.29Å; S837-H841 WeakPolarHBondContact O-CB 3.39Å; S837-H841 PolarHBondContact O-CD2 2.87Å; S837-H841 PolarHBondContact O-N 3.19Å; S837-H841 PolarHBondContact O-ND1 2.97Å; S837-H841 VanDerWaalsContact O-ND1 3.1Å
838	M	91.3	Very high	87.2	Confident	82 Å²	82	53 Å²	53	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-42.5	178	-71.9	173.7	66.8	0	0	112.9	P782 L834 A835 F836 H841 G842	P782-M838 HydrophobicContact CB-CE 4.17Å; P782-M838 HydrophobicContact CB-CG 4.29Å; P782-M838 HydrophobicContact CG-CB 4.2Å; P782-M838 HydrophobicContact CG-CE 3.81Å; P782-M838 HydrophobicContact CG-CG 4.12Å; L834-M838 HydrophobicContact CD1-CG 4.4Å; L834-M838 HydrophobicContact CD1-SD 4.3Å; L834-M838 HydrophobicContact CG-SD 4.12Å; L834-M838 WeakPolarHBondContact O-CG 3.49Å; L834-M838 PolarHBondContact O-N 3.28Å; A835-M838 PolarHBondContact O-N 3.34Å; F836-M838 PolarHBondContact O-N 2.87Å; M838-H841 PolarHBondContact O-N 2.9Å; M838-G842 PolarHBondContact O-N 3.44Å
839	I	92	Very high	89.4	Confident	68 Å²	68	47.1 Å²	47.1	35%	0.349	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.3	-67.9	163.9	0	0	0	110.4	L222 A835 F836 S837 H841 G842 Q843	L222-I839 HydrophobicContact CD1-CD1 4.02Å; L222-I839 HydrophobicContact CD1-CG1 3.99Å; A835-I839 VanDerWaalsContact O-CG1 3.32Å; A835-I839 WeakPolarHBondContact O-CG1 3.19Å; A835-I839 PolarHBondContact O-N 3.14Å; F836-I839 PolarHBondContact O-N 3.16Å; S837-I839 PolarHBondContact O-N 2.95Å; I839-H841 PolarHBondContact O-N 2.89Å; I839-G842 PolarHBondContact O-N 2.93Å; I839-Q843 PolarHBondContact O-N 2.88Å
840	M	93.7	Very high	91	Very high	11 Å²	11	49.7 Å²	49.7	5%	0.054	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-42.4	178.3	-69.7	-71.4	-62	0	0	112	M722 I725 K726 F836 S837 G842 Q843 I844	M722-M840 HydrophobicContact CB-CE 4.41Å; M722-M840 WeakPolarHBondContact O-CE 3.29Å; I725-M840 HydrophobicContact CG2-CE 3.37Å; K726-M840 HydrophobicContact CD-CE 4.41Å; K726-M840 HydrophobicContact CG-CE 3.9Å; F836-M840 HydrophobicContact CD1-CG 4.16Å; F836-M840 HydrophobicContact CD2-CG 4.26Å; F836-M840 HydrophobicContact CE1-CG 3.77Å; F836-M840 HydrophobicContact CE1-SD 4.43Å; F836-M840 HydrophobicContact CE2-CG 3.88Å; F836-M840 HydrophobicContact CE2-SD 3.95Å; F836-M840 HydrophobicContact CG-CG 4.39Å; F836-M840 HydrophobicContact CZ-CE 4.4Å; F836-M840 HydrophobicContact CZ-CG 3.62Å; F836-M840 HydrophobicContact CZ-SD 3.74Å; F836-M840 WeakPolarHBondContact O-CB 3.41Å; F836-M840 WeakPolarHBondContact O-CG 3.41Å; F836-M840 PolarHBondContact O-N 3.48Å; S837-M840 PolarHBondContact O-N 3.29Å; M840-G842 VanDerWaalsContact C-N 3.34Å; M840-G842 PolarHBondContact O-N 2.86Å; M840-Q843 PolarHBondContact O-N 3.13Å; M840-I844 WeakPolarHBondContact O-CD1 3.3Å; M840-I844 VanDerWaalsContact O-CG1 3.24Å; M840-I844 WeakPolarHBondContact O-CG1 3.27Å; M840-I844 PolarHBondContact O-N 3.24Å
841	H	95	Very high	91.9	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.032	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-39.3	175.7	-60.2	152.4	0	0	0	111.9	G781 F785 S787 S837 M838 I839 I844 V845	G781-H841 WeakPolarHBondContact O-CB 3.37Å; F785-H841 HydrophobicContact CB-CB 4.18Å; F785-H841 WeakPolarHBondContact CB-ND1 3.45Å; F785-H841 AromaticContact CD1-CD2 3.48Å; F785-H841 VanDerWaalsContact CD1-CD2 3.48Å; F785-H841 WeakPolarHBondContact CD1-CD2 3.42Å; F785-H841 AromaticContact CD1-NE2 3.76Å; F785-H841 HydrophobicContact CD2-CB 3.71Å; F785-H841 AromaticContact CD2-CD2 3.95Å; F785-H841 AromaticContact CD2-CG 3.84Å; F785-H841 HydrophobicContact CE2-CB 4.32Å; F785-H841 HydrophobicContact CG-CB 3.98Å; F785-H841 AromaticContact CG-CD2 3.43Å; F785-H841 VanDerWaalsContact CG-CD2 3.43Å; F785-H841 WeakPolarHBondContact CG-CD2 3.35Å; F785-H841 AromaticContact CG-CG 3.56Å; F785-H841 AromaticContact CG-NE2 3.89Å; S787-H841 PolarHBondContact OG-CE1 3.05Å; S787-H841 VanDerWaalsContact OG-CE1 3.3Å; S787-H841 PolarHBondContact OG-ND1 2.9Å; S837-H841 WeakPolarHBondContact O-CB 3.39Å; S837-H841 PolarHBondContact O-CD2 2.87Å; S837-H841 PolarHBondContact O-N 3.19Å; S837-H841 PolarHBondContact O-ND1 2.97Å; S837-H841 VanDerWaalsContact O-ND1 3.1Å; M838-H841 PolarHBondContact O-N 2.9Å; I839-H841 PolarHBondContact O-N 2.89Å; H841-I844 PolarHBondContact O-N 2.65Å; H841-V845 WeakPolarHBondContact O-CG2 3.3Å; H841-V845 PolarHBondContact O-N 2.71Å; H841-V845 VanDerWaalsContact O-N 3.1Å
842	G	95.9	Very high	92.6	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-50.2	171.9	0	0	0	0	0	112.1	M838 I839 M840 I844 V845 E846	M838-G842 PolarHBondContact O-N 3.44Å; I839-G842 PolarHBondContact O-N 2.93Å; M840-G842 VanDerWaalsContact C-N 3.34Å; M840-G842 PolarHBondContact O-N 2.86Å; G842-I844 VanDerWaalsContact C-N 3.29Å; G842-I844 PolarHBondContact O-N 2.87Å; G842-V845 PolarHBondContact O-N 3.5Å; G842-E846 WeakPolarHBondContact O-CB 3.22Å; G842-E846 PolarHBondContact O-N 2.8Å
843	Q	96	Very high	93	Very high	78 Å²	78	41 Å²	41	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-59.8	-36.5	177.5	-70.6	-179.8	-36.6	0	0	113.1	I725 I839 M840 Y847	I725-Q843 HydrophobicContact CG1-CB 4.1Å; I839-Q843 PolarHBondContact O-N 2.88Å; M840-Q843 PolarHBondContact O-N 3.13Å; Q843-Y847 WeakPolarHBondContact O-CB 3.37Å; Q843-Y847 PolarHBondContact O-N 3Å
844	I	96.9	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-48.7	175.1	-68.8	158.1	0	0	0	110.9	F721 M722 I725 F737 F785 M840 H841 G842 E846 Y847 M848	F721-I844 HydrophobicContact CB-CD1 4.09Å; F721-I844 HydrophobicContact CB-CG2 4.45Å; F721-I844 HydrophobicContact CD1-CG2 4.28Å; M722-I844 HydrophobicContact CG-CD1 4.13Å; I725-I844 HydrophobicContact CB-CG1 3.85Å; I725-I844 HydrophobicContact CG1-CG1 4.13Å; I725-I844 HydrophobicContact CG2-CD1 4.26Å; I725-I844 HydrophobicContact CG2-CG1 3.83Å; F737-I844 HydrophobicContact CE1-CG2 3.96Å; F737-I844 HydrophobicContact CZ-CG1 4.45Å; F737-I844 HydrophobicContact CZ-CG2 4.14Å; F785-I844 HydrophobicContact CE1-CD1 4.35Å; F785-I844 HydrophobicContact CE2-CB 4.33Å; F785-I844 HydrophobicContact CE2-CG2 4.01Å; F785-I844 HydrophobicContact CZ-CB 4.21Å; F785-I844 HydrophobicContact CZ-CD1 4.04Å; F785-I844 HydrophobicContact CZ-CG2 3.65Å; M840-I844 WeakPolarHBondContact O-CD1 3.3Å; M840-I844 VanDerWaalsContact O-CG1 3.24Å; M840-I844 WeakPolarHBondContact O-CG1 3.27Å; M840-I844 PolarHBondContact O-N 3.24Å; H841-I844 PolarHBondContact O-N 2.65Å; G842-I844 VanDerWaalsContact C-N 3.29Å; G842-I844 PolarHBondContact O-N 2.87Å; I844-E846 PolarHBondContact O-N 3.1Å; I844-Y847 PolarHBondContact O-N 3.01Å; I844-M848 HydrophobicContact CG2-SD 4.17Å; I844-M848 WeakPolarHBondContact O-CG 3.5Å; I844-M848 PolarHBondContact O-N 3.21Å
845	V	96.9	Very high	93.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-40.6	178.1	174.6	0	0	0	0	111.2	F713 A777 F780 L784 F785 H841 G842 Y847 M848 L849	F713-V845 HydrophobicContact CE2-CG2 4.48Å; A777-V845 HydrophobicContact CB-CB 4.31Å; A777-V845 HydrophobicContact CB-CG1 4.17Å; F780-V845 HydrophobicContact CB-CG1 4.4Å; L784-V845 HydrophobicContact CD1-CG2 4.32Å; F785-V845 HydrophobicContact CE2-CG2 4.24Å; H841-V845 WeakPolarHBondContact O-CG2 3.3Å; H841-V845 PolarHBondContact O-N 2.71Å; H841-V845 VanDerWaalsContact O-N 3.1Å; G842-V845 PolarHBondContact O-N 3.5Å; V845-Y847 PolarHBondContact O-N 2.88Å; V845-M848 PolarHBondContact O-N 3.29Å; V845-L849 HydrophobicContact CG1-CD1 3.93Å; V845-L849 HydrophobicContact CG1-CG 4.38Å; V845-L849 WeakPolarHBondContact O-CG 3.5Å; V845-L849 PolarHBondContact O-N 2.92Å
846	E	97	Very high	93.8	Very high	39 Å²	39	40 Å²	40	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-42.9	177.3	-159.6	-166.5	119	0	0	112.1	V773 H774 A777 G842 I844 K850	V773-E846 HydrophobicContact CG1-CG 4.11Å; H774-E846 IonicContact CE1-OE2 3.11Å; H774-E846 IonicContact CG-OE2 2.64Å; H774-E846 IonicContact ND1-OE2 3.57Å; H774-E846 PolarHBondContact ND1-OE2 2.91Å; A777-E846 HydrophobicContact CB-CB 3.61Å; A777-E846 HydrophobicContact CB-CG 4.1Å; G842-E846 WeakPolarHBondContact O-CB 3.22Å; G842-E846 PolarHBondContact O-N 2.8Å; I844-E846 PolarHBondContact O-N 3.1Å; E846-K850 HydrophobicContact CG-CD 4.42Å; E846-K850 WeakPolarHBondContact O-CB 3.42Å; E846-K850 WeakPolarHBondContact O-CG 3.45Å; E846-K850 PolarHBondContact O-N 3.35Å; E846-K850 WeakPolarHBondContact OE1-CE 3.37Å; E846-K850 IonicContact OE1-NZ 3.72Å; E846-K850 PolarHBondContact OE1-NZ 2.87Å
847	Y	96.8	Very high	93	Very high	20 Å²	20	45 Å²	45	8%	0.078	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-41.6	175.9	-175.7	-109.2	0	0	0	111.8	I725 R733 F734 F737 Q843 I844 V845 K850 E851	I725-Y847 HydrophobicContact CD1-CD1 4.41Å; I725-Y847 HydrophobicContact CD1-CG 4.06Å; R733-Y847 HydrophobicContact CG-CD1 4.49Å; R733-Y847 HydrophobicContact CG-CE1 3.84Å; F734-Y847 WeakPolarHBondContact CA-OH 3.48Å; F737-Y847 HydrophobicContact CB-CE1 4.12Å; F737-Y847 AromaticContact CD1-CD1 3.9Å; F737-Y847 HydrophobicContact CD1-CD1 3.9Å; F737-Y847 HydrophobicContact CD1-CE1 4.14Å; F737-Y847 AromaticContact CD2-CD1 3.71Å; F737-Y847 HydrophobicContact CD2-CD1 3.71Å; F737-Y847 AromaticContact CD2-CE1 3.5Å; F737-Y847 HydrophobicContact CD2-CE1 3.5Å; F737-Y847 VanDerWaalsContact CD2-CE1 3.5Å; F737-Y847 AromaticContact CE1-CD1 3.81Å; F737-Y847 HydrophobicContact CE1-CD1 3.81Å; F737-Y847 HydrophobicContact CE1-CE1 4.46Å; F737-Y847 AromaticContact CE2-CD1 3.6Å; F737-Y847 HydrophobicContact CE2-CD1 3.6Å; F737-Y847 AromaticContact CE2-CE1 3.86Å; F737-Y847 HydrophobicContact CE2-CE1 3.86Å; F737-Y847 AromaticContact CG-CD1 3.85Å; F737-Y847 HydrophobicContact CG-CD1 3.85Å; F737-Y847 AromaticContact CG-CE1 3.64Å; F737-Y847 HydrophobicContact CG-CE1 3.64Å; F737-Y847 AromaticContact CZ-CD1 3.66Å; F737-Y847 HydrophobicContact CZ-CD1 3.66Å; F737-Y847 HydrophobicContact CZ-CE1 4.33Å; Q843-Y847 WeakPolarHBondContact O-CB 3.37Å; Q843-Y847 PolarHBondContact O-N 3Å; I844-Y847 PolarHBondContact O-N 3.01Å; V845-Y847 PolarHBondContact O-N 2.88Å; Y847-K850 PolarHBondContact O-N 2.81Å; Y847-E851 HydrophobicContact CD2-CG 4.09Å; Y847-E851 HydrophobicContact CE1-CG 4.2Å; Y847-E851 HydrophobicContact CE2-CG 3.53Å; Y847-E851 WeakPolarHBondContact O-CB 3.27Å; Y847-E851 PolarHBondContact O-N 3.38Å; Y847-E851 PolarHBondContact OH-OE1 2.99Å; Y847-E851 VanDerWaalsContact OH-OE1 3.05Å
848	M	96.9	Very high	91.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-32.4	178.3	-70.7	-173.3	71.2	0	0	113.5	F713 F721 F737 V741 L752 L756 I844 V845 H852 L855 F856	F713-M848 HydrophobicContact CE1-CE 4.25Å; F713-M848 HydrophobicContact CE1-SD 3.67Å; F713-M848 HydrophobicContact CZ-CE 4.36Å; F713-M848 HydrophobicContact CZ-SD 3.7Å; F721-M848 HydrophobicContact CE1-SD 4.04Å; F737-M848 HydrophobicContact CD1-CG 3.72Å; F737-M848 HydrophobicContact CD1-SD 4.12Å; F737-M848 HydrophobicContact CE1-CG 3.54Å; F737-M848 HydrophobicContact CE1-SD 3.9Å; V741-M848 HydrophobicContact CG2-CE 3.56Å; L752-M848 HydrophobicContact CD2-CE 3.76Å; L756-M848 HydrophobicContact CD1-CB 4.27Å; L756-M848 HydrophobicContact CD1-CE 4.27Å; I844-M848 HydrophobicContact CG2-SD 4.17Å; I844-M848 WeakPolarHBondContact O-CG 3.5Å; I844-M848 PolarHBondContact O-N 3.21Å; V845-M848 PolarHBondContact O-N 3.29Å; M848-H852 WeakPolarHBondContact O-CA 3.46Å; M848-H852 VanDerWaalsContact O-CB 3.31Å; M848-H852 WeakPolarHBondContact O-CB 3.23Å; M848-H852 PolarHBondContact O-N 2.8Å; M848-L855 HydrophobicContact CB-CD1 4.49Å; M848-L855 HydrophobicContact CG-CD1 4.24Å; M848-F856 HydrophobicContact CE-CE2 4Å; M848-F856 HydrophobicContact CE-CZ 3.97Å
849	L	96.3	Very high	88.7	Confident	3 Å²	3	51 Å²	51	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-49.3	170.2	-73	165.8	0	0	0	110.7	L756 L759 L760 V773 V845 E851 H852	L756-L849 HydrophobicContact CB-CD2 4.28Å; L756-L849 HydrophobicContact CD2-CD2 3.51Å; L756-L849 HydrophobicContact CD2-CG 3.8Å; L756-L849 HydrophobicContact CG-CD2 4.49Å; L759-L849 HydrophobicContact CB-CD2 3.82Å; L760-L849 HydrophobicContact CD2-CB 4.32Å; L760-L849 HydrophobicContact CD2-CD2 4.28Å; L760-L849 HydrophobicContact CG-CD2 3.95Å; V773-L849 HydrophobicContact CG1-CB 3.66Å; V773-L849 HydrophobicContact CG1-CD1 3.85Å; V773-L849 HydrophobicContact CG1-CG 4.38Å; V845-L849 HydrophobicContact CG1-CD1 3.93Å; V845-L849 HydrophobicContact CG1-CG 4.38Å; V845-L849 WeakPolarHBondContact O-CG 3.5Å; V845-L849 PolarHBondContact O-N 2.92Å; L849-E851 VanDerWaalsContact C-N 3.3Å; L849-E851 PolarHBondContact O-N 3.31Å; L849-H852 WeakPolarHBondContact O-CB 3.17Å; L849-H852 PolarHBondContact O-N 3.07Å
850	K	94.9	Very high	85.9	Confident	131 Å²	131	52.9 Å²	52.9	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-61.7	-33.6	-179.5	-75.3	173.3	172.4	176.3	0	113.8	V773 E846 Y847	V773-K850 HydrophobicContact CG1-CG 4.35Å; E846-K850 HydrophobicContact CG-CD 4.42Å; E846-K850 WeakPolarHBondContact O-CB 3.42Å; E846-K850 WeakPolarHBondContact O-CG 3.45Å; E846-K850 PolarHBondContact O-N 3.35Å; E846-K850 WeakPolarHBondContact OE1-CE 3.37Å; E846-K850 IonicContact OE1-NZ 3.72Å; E846-K850 PolarHBondContact OE1-NZ 2.87Å; Y847-K850 PolarHBondContact O-N 2.81Å
851	E	94.5	Very high	82.9	Confident	33 Å²	33	58.9 Å²	58.9	15%	0.154	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	4.5	-177.5	-65.2	-85.4	-143.3	0	0	113.7	Y847 L849 P853 R854 L855	Y847-E851 HydrophobicContact CD2-CG 4.09Å; Y847-E851 HydrophobicContact CE1-CG 4.2Å; Y847-E851 HydrophobicContact CE2-CG 3.53Å; Y847-E851 WeakPolarHBondContact O-CB 3.27Å; Y847-E851 PolarHBondContact O-N 3.38Å; Y847-E851 PolarHBondContact OH-OE1 2.99Å; Y847-E851 VanDerWaalsContact OH-OE1 3.05Å; L849-E851 VanDerWaalsContact C-N 3.3Å; L849-E851 PolarHBondContact O-N 3.31Å; E851-P853 VanDerWaalsContact C-CD 3.49Å; E851-R854 PolarHBondContact O-N 3.17Å; E851-R854 IonicContact OE1-NH1 2.74Å; E851-R854 PolarHBondContact OE1-NH1 3.09Å; E851-R854 VanDerWaalsContact OE1-NH1 3.11Å; E851-R854 WeakPolarHBondContact OE2-CD 3.32Å; E851-R854 IonicContact OE2-CZ 3.93Å; E851-R854 IonicContact OE2-NE 3.86Å; E851-R854 IonicContact OE2-NH1 3.26Å; E851-R854 PolarHBondContact OE2-NH1 3.49Å; E851-L855 HydrophobicContact CB-CD1 3.85Å; E851-L855 HydrophobicContact CB-CG 4.05Å; E851-L855 PolarHBondContact O-N 3.34Å
852	H	94.6	Very high	79.9	Confident	20 Å²	20	69.1 Å²	69.1	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-48.2	-48.3	-173.7	171.2	-82.8	0	0	0	114.1	N753 I757 L760 M848 L849 R854 L855 F856	N753-H852 PolarHBondContact OD1-NE2 2.99Å; I757-H852 VanDerWaalsContact CG1-CE1 3.43Å; I757-H852 WeakPolarHBondContact CG1-CE1 3.28Å; L760-H852 HydrophobicContact CD1-CB 3.64Å; M848-H852 WeakPolarHBondContact O-CA 3.46Å; M848-H852 VanDerWaalsContact O-CB 3.31Å; M848-H852 WeakPolarHBondContact O-CB 3.23Å; M848-H852 PolarHBondContact O-N 2.8Å; L849-H852 WeakPolarHBondContact O-CB 3.17Å; L849-H852 PolarHBondContact O-N 3.07Å; H852-R854 PolarHBondContact O-N 2.72Å; H852-L855 PolarHBondContact O-N 2.96Å; H852-L855 VanDerWaalsContact O-N 3.11Å; H852-F856 AromaticContact CD2-CD2 3.35Å; H852-F856 WeakPolarHBondContact CD2-CD2 3.39Å; H852-F856 AromaticContact CD2-CE2 3.98Å; H852-F856 AromaticContact CD2-CG 3.98Å; H852-F856 AromaticContact NE2-CD2 3.79Å; H852-F856 AromaticContact NE2-CG 3.94Å; H852-F856 PolarHBondContact O-N 2.78Å
853	P	89.9	Confident	76.5	Confident	66 Å²	66	74.3 Å²	74.3	43%	0.429	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-14.5	-178.6	-21.2	34.6	0	0	0	114.1	E851 R857	E851-P853 VanDerWaalsContact C-CD 3.49Å; P853-R857 WeakPolarHBondContact O-CD 3.32Å; P853-R857 WeakPolarHBondContact O-CG 3.29Å; P853-R857 PolarHBondContact O-NE 2.79Å
854	R	91.2	Very high	73.4	Confident	135 Å²	135	79.7 Å²	79.7	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-103	-22.7	178	-63.4	173.3	62.4	-144	1.3	112.5	F734 E851 H852	F734-R854 HydrophobicContact CE2-CB 3.51Å; F734-R854 HydrophobicContact CZ-CB 3.75Å; F734-R854 WeakPolarHBondContact CZ-O 3.14Å; E851-R854 PolarHBondContact O-N 3.17Å; E851-R854 IonicContact OE1-NH1 2.74Å; E851-R854 PolarHBondContact OE1-NH1 3.09Å; E851-R854 VanDerWaalsContact OE1-NH1 3.11Å; E851-R854 WeakPolarHBondContact OE2-CD 3.32Å; E851-R854 IonicContact OE2-CZ 3.93Å; E851-R854 IonicContact OE2-NE 3.86Å; E851-R854 IonicContact OE2-NH1 3.26Å; E851-R854 PolarHBondContact OE2-NH1 3.49Å; H852-R854 PolarHBondContact O-N 2.72Å
855	L	91.1	Very high	72.2	Confident	10 Å²	10	83.7 Å²	83.7	5%	0.052	43%	0.433	C	S	.	.	H	α-helix	trans	-85.4	-40.8	177.4	-68.2	173.9	0	0	0	112.8	F734 F737 K738 M848 E851 H852	F734-L855 HydrophobicContact CD2-CD2 4.13Å; F734-L855 HydrophobicContact CE2-CD2 3.79Å; F734-L855 HydrophobicContact CE2-CG 4.21Å; F737-L855 HydrophobicContact CB-CD2 3.88Å; K738-L855 HydrophobicContact CB-CD2 4.24Å; M848-L855 HydrophobicContact CB-CD1 4.49Å; M848-L855 HydrophobicContact CG-CD1 4.24Å; E851-L855 HydrophobicContact CB-CD1 3.85Å; E851-L855 HydrophobicContact CB-CG 4.05Å; E851-L855 PolarHBondContact O-N 3.34Å; H852-L855 PolarHBondContact O-N 2.96Å; H852-L855 VanDerWaalsContact O-N 3.11Å
856	F	89.2	Confident	70.9	Confident	16 Å²	16	88.1 Å²	88.1	7%	0.07	46%	0.456	C	S	.	.	S	Bend	trans	-106.2	1.4	-171.1	-70.6	-86.3	0	0	0	115.3	V741 H749 L752 N753 L756 M848 H852 V858	V741-F856 HydrophobicContact CG1-CD1 4.11Å; V741-F856 HydrophobicContact CG1-CE1 3.58Å; V741-F856 HydrophobicContact CG1-CE2 4.46Å; V741-F856 HydrophobicContact CG1-CZ 3.78Å; V741-F856 HydrophobicContact CG2-CZ 4.21Å; H749-F856 AromaticContact CD2-CE1 3.96Å; H749-F856 AromaticContact NE2-CD1 3.65Å; H749-F856 AromaticContact NE2-CE1 3.75Å; L752-F856 HydrophobicContact CD2-CZ 4.19Å; L752-F856 HydrophobicContact CG-CZ 4.25Å; N753-F856 HydrophobicContact CB-CD1 3.68Å; N753-F856 HydrophobicContact CB-CE1 3.9Å; N753-F856 HydrophobicContact CB-CG 4.35Å; N753-F856 WeakPolarHBondContact OD1-CB 3.43Å; L756-F856 HydrophobicContact CD1-CD2 4.41Å; L756-F856 HydrophobicContact CD1-CE2 3.51Å; L756-F856 HydrophobicContact CD1-CZ 3.88Å; M848-F856 HydrophobicContact CE-CE2 4Å; M848-F856 HydrophobicContact CE-CZ 3.97Å; H852-F856 AromaticContact CD2-CD2 3.35Å; H852-F856 WeakPolarHBondContact CD2-CD2 3.39Å; H852-F856 AromaticContact CD2-CE2 3.98Å; H852-F856 AromaticContact CD2-CG 3.98Å; H852-F856 AromaticContact NE2-CD2 3.79Å; H852-F856 AromaticContact NE2-CG 3.94Å; H852-F856 PolarHBondContact O-N 2.78Å; F856-V858 PolarHBondContact O-N 2.92Å; F856-V858 VanDerWaalsContact O-N 3.1Å
857	R	73.9	Confident	69.5	Low	206 Å²	206	90.8 Å²	90.8	78%	0.777	47%	0.471	S	S	*	.			trans	-68.5	107.3	169.4	-88.9	-176.8	-171.9	-164.5	1.4	110.3	P853	P853-R857 WeakPolarHBondContact O-CD 3.32Å; P853-R857 WeakPolarHBondContact O-CG 3.29Å; P853-R857 PolarHBondContact O-NE 2.79Å
858	V	55.1	Low	67.9	Low	125 Å²	125	94.9 Å²	94.9	76%	0.758	49%	0.494	S	S	*	.			trans	-63.4	146.6	158.6	-172.8	0	0	0	0	108.2	F856 S860	F856-V858 PolarHBondContact O-N 2.92Å; F856-V858 VanDerWaalsContact O-N 3.1Å; V858-S860 PolarHBondContact O-N 2.83Å
859	S	35.2	Very low	66.1	Low	92 Å²	92	100.8 Å²	100.8	64%	0.643	53%	0.525	S	S	*	.			trans	-59.8	130.3	170.4	-50.5	0	0	0	0	109.4	D861	S859-D861 WeakPolarHBondContact CB-OD2 3.4Å; S859-D861 PolarHBondContact O-N 3.45Å
860	S	32.5	Very low	64.1	Low	109 Å²	109	107.3 Å²	107.3	76%	0.762	56%	0.559	S	S	*	*	S	Bend	trans	-82.2	40.2	-168.4	-167.9	0	0	0	0	113.3	V858 Y862	V858-S860 PolarHBondContact O-N 2.83Å; S860-Y862 VanDerWaalsContact C-N 3.3Å; S860-Y862 PolarHBondContact O-N 2.82Å
861	D	32.2	Very low	61.9	Low	136 Å²	136	105.6 Å²	105.6	73%	0.727	56%	0.558	S	S	*	*			trans	-92.8	18.2	-171.8	-52.8	-50.3	0	0	0	112.8	S859	S859-D861 WeakPolarHBondContact CB-OD2 3.4Å; S859-D861 PolarHBondContact O-N 3.45Å
862	Y	30.7	Very low	59.4	Low	222 Å²	222	111.2 Å²	111.2	87%	0.871	59%	0.589	S	S	*	*			trans	-145.1	94.2	176.7	-111.4	-87.6	0	0	0	111.7	S860	S860-Y862 VanDerWaalsContact C-N 3.3Å; S860-Y862 PolarHBondContact O-N 2.82Å
863	T	25.1	Very low	56.4	Low	118 Å²	118	118.8 Å²	118.8	72%	0.724	63%	0.63	S	S	*	*			trans	-88.4	145	153	47.1	0	0	0	0	108.8
864	P	31	Very low	53.4	Low	191 Å²	191	123.6 Å²	123.6	100%	1.24	65%	0.649	S	S	*	*				-103.6	0	97.1	29.7	-35.9	0	0	0	112.8

Retrieved 864 of 864 residues in 740 ms (Link to these results)

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