A0A077Z0S9_TRITR Loading...

PAZ and Piwi domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 880 aa.

						>A0A077Z0S9_TRITR|A0A077Z0S9
MDAKSYDESPRHDECEAAEIATHAEYGNVGDVIALVTNFVELKKIVTSEIVIRQYDVKITGKETKLTKEDKQNAFWTFVQQYPKTFTDPFSLAYDGQSILLVNDSSENKEFEILKGEVCVHMLHTHYPVGLTVEARKVGLTKLKFKNELHQSLPAEAAQRSIQMLNTILSQGRLCPLTAKPESFCVIDGTIFEVASKIDLKGGAEIRRGLFTEAKITDGCLPLVNVDLTYETFYRRQALLQYICDVLNSRQQKQRYAVKQIQSDTALSNSEWKIIKAALIGLHVNTICRDTTLQYPIIDAVPQAAKHELFMHDGQKINVADYFRKKYGALQYPCMPAVGIGSKSQCVYLPVEMCLIPEKLRYDGAKLLHVQKMLLNQGRQIDTATRLQHCLDMMQKFEYQNDKFLKSFGIALSSHFVQTRGRVLQAPALEYRCKRLPVVVHPVNGIWQMDEKCLFKPANCSNYSAISFLHRNRLHNVVQFCKNVANACNEMGMRMSTNADMVIPVANTKDLEWAIDLVLDVYKQRGMTCELIFVAVNCVHHYAAAKYIADVKYGITTCCVKADIFRNALGNKCTGAVKRLPLKLNLVLGGVNSHIADDFVTKTHLIGKCSLVLAADTVHVGSTNNESPLIRVLVGNTDDDCARYEASVDAELCSEEELTTLKQQFRERILSYRSGTGRNPQQVILFVVNVPEKIFKEELHCKLKAFRLACHSLGTDYRPNLTIVVVTTEHHTYFTVNDKTMTEKVLVTTRLLPIGTVVDRRIISAGGCNYYLSSNAEMQESNKPTKYYVIYDENKLDADVIQAISYYLCYLNGCVTYSISVPAPVHFAQLACQRAQQHLQHALENEDLADSQGKNGSRISEILTNAISVHEKIRNTMYFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	41.7	Very low	241 Å²	241	139.5 Å²	139.5	100%	1.187	73%	0.731	S	S	*	*				0	101.1	0	-76.2	-177.5	-177.2	0	0	105.7	A3	M1-A3 PolarHBondContact O-N 2.91Å
2	D	39.1	Very low	42.6	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	70%	0.698	S	S	*	*			trans	-63.6	116.5	-178.5	-66	-40	0	0	0	109.2	K4	D2-K4 PolarHBondContact O-N 3.41Å
3	A	40.2	Very low	43.9	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	69%	0.691	S	S	*	*			trans	-67.5	85.5	169.4	0	0	0	0	0	107.4	M1 S5	M1-A3 PolarHBondContact O-N 2.91Å; A3-S5 PolarHBondContact O-N 3.46Å
4	K	38.5	Very low	45.8	Very low	177 Å²	177	129.1 Å²	129.1	77%	0.77	67%	0.671	S	S	*	*			trans	-53.9	113	163.8	-77.5	-177.2	174.6	-178.5	0	106.6	D2 Y6	D2-K4 PolarHBondContact O-N 3.41Å; K4-Y6 VanDerWaalsContact C-N 3.33Å; K4-Y6 PolarHBondContact O-N 3.35Å
5	S	38.5	Very low	47.8	Very low	112 Å²	112	121.4 Å²	121.4	78%	0.783	63%	0.632	S	S	*	*			trans	-53.4	101.6	163.9	53.7	0	0	0	0	106.9	A3 D7	A3-S5 PolarHBondContact O-N 3.46Å; S5-D7 VanDerWaalsContact C-N 3.32Å; S5-D7 PolarHBondContact O-N 3.04Å
6	Y	37.9	Very low	49.3	Very low	216 Å²	216	121.8 Å²	121.8	85%	0.847	63%	0.63	S	S	*	*			trans	-64.7	103.6	167.7	-90.9	-90.9	0	0	0	106.1	K4 E8	K4-Y6 VanDerWaalsContact C-N 3.33Å; K4-Y6 PolarHBondContact O-N 3.35Å; Y6-E8 PolarHBondContact O-N 3.31Å
7	D	39.2	Very low	51.1	Low	124 Å²	124	119 Å²	119	66%	0.663	63%	0.629	S	S	*	*			trans	-58.3	120.7	175.1	-164.1	17.3	0	0	0	108.3	S5 S9	S5-D7 VanDerWaalsContact C-N 3.32Å; S5-D7 PolarHBondContact O-N 3.04Å; D7-S9 PolarHBondContact O-N 3.36Å; D7-S9 PolarHBondContact OD2-OG 3.11Å
8	E	46.5	Very low	53	Low	153 Å²	153	112.8 Å²	112.8	72%	0.715	60%	0.597	S	S	*	*	S	Bend	trans	-69	6.1	-178.1	-70.1	-173.5	151.5	0	0	113	Y6	Y6-E8 PolarHBondContact O-N 3.31Å
9	S	47.5	Very low	54.8	Low	55 Å²	55	115.1 Å²	115.1	39%	0.385	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-70.4	-40.1	-162.8	49.6	0	0	0	0	116.8	D7 R11 H12	D7-S9 PolarHBondContact O-N 3.36Å; D7-S9 PolarHBondContact OD2-OG 3.11Å; S9-R11 VanDerWaalsContact C-N 3.27Å; S9-R11 PolarHBondContact O-N 3.11Å; S9-R11 VanDerWaalsContact O-N 3.13Å; S9-H12 PolarHBondContact O-N 3.46Å
10	P	41.4	Very low	56.3	Low	94 Å²	94	112 Å²	112	61%	0.61	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-75.5	-9.4	-168.9	27.6	-32.9	0	0	0	114.9
11	R	51.2	Low	57.7	Low	101 Å²	101	107.8 Å²	107.8	38%	0.381	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-97.5	-11	177.3	-69.1	-173.3	-177	-176	3.7	113.7	S9 D13 H711 T715	S9-R11 VanDerWaalsContact C-N 3.27Å; S9-R11 PolarHBondContact O-N 3.11Å; S9-R11 VanDerWaalsContact O-N 3.13Å; R11-D13 VanDerWaalsContact C-N 3.34Å; R11-H711 PolarHBondContact NH1-ND1 2.96Å; R11-T715 PolarHBondContact NH1-O 3.27Å; R11-T715 VanDerWaalsContact NH1-O 3.15Å; R11-T715 PolarHBondContact NH2-O 3.45Å
12	H	52.8	Low	59.6	Low	72 Å²	72	101.4 Å²	101.4	33%	0.333	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-40.1	176.1	-115.8	-86.5	0	0	0	111	S9 E14 C15 E16 K704	S9-H12 PolarHBondContact O-N 3.46Å; H12-E14 VanDerWaalsContact C-N 3.33Å; H12-E14 PolarHBondContact O-N 3.16Å; H12-C15 PolarHBondContact O-N 3.14Å; H12-E16 IonicContact ND1-OE1 3.19Å; H12-E16 PolarHBondContact O-N 3.27Å; H12-K704 VanDerWaalsContact CE1-CE 3.43Å; H12-K704 WeakPolarHBondContact CE1-CE 3.5Å; H12-K704 PolarHBondContact CE1-NZ 3.11Å; H12-K704 WeakPolarHBondContact NE2-CE 3.37Å; H12-K704 PolarHBondContact NE2-NZ 2.95Å
13	D	59	Low	60.9	Low	113 Å²	113	96 Å²	96	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-38.1	-179.4	-66.5	-11.3	0	0	0	113.1	R11 C15 E16 A17	R11-D13 VanDerWaalsContact C-N 3.34Å; D13-C15 VanDerWaalsContact C-N 3.35Å; D13-C15 PolarHBondContact O-N 2.71Å; D13-E16 PolarHBondContact O-N 3.5Å; D13-A17 VanDerWaalsContact O-CB 3.24Å; D13-A17 WeakPolarHBondContact O-CB 3.43Å; D13-A17 PolarHBondContact O-N 3.39Å
14	E	70.2	Confident	62	Low	88 Å²	88	95.7 Å²	95.7	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-38	-179.3	-69.4	-173.6	-174.3	0	0	112.9	H12 A18 R718	H12-E14 VanDerWaalsContact C-N 3.33Å; H12-E14 PolarHBondContact O-N 3.16Å; E14-A18 PolarHBondContact O-N 2.55Å; E14-R718 IonicContact OE1-NH1 3.36Å; E14-R718 PolarHBondContact OE1-NH1 3.47Å; E14-R718 IonicContact OE2-CZ 3.57Å; E14-R718 IonicContact OE2-NH1 2.58Å; E14-R718 PolarHBondContact OE2-NH1 2.95Å; E14-R718 IonicContact OE2-NH2 3.83Å; E14-R718 PolarHBondContact OE2-NH2 3.43Å
15	C	76.2	Confident	64	Low	13 Å²	13	93.8 Å²	93.8	9%	0.088	51%	0.505	C	S	.	.	H	α-helix	trans	-73.5	-38.4	-177.7	-63.9	0	0	0	0	110.9	H12 D13 A17 A18 H700 L703	H12-C15 PolarHBondContact O-N 3.14Å; D13-C15 VanDerWaalsContact C-N 3.35Å; D13-C15 PolarHBondContact O-N 2.71Å; C15-A17 VanDerWaalsContact C-N 3.33Å; C15-A18 WeakPolarHBondContact O-CB 3.06Å; C15-A18 PolarHBondContact O-N 3.36Å; C15-H700 PolarHBondContact O-CD2 2.9Å; C15-H700 PolarHBondContact O-NE2 3Å; C15-L703 HydrophobicContact CB-CD2 4.46Å
16	E	72	Confident	66.4	Low	128 Å²	128	91.3 Å²	91.3	60%	0.598	48%	0.479	S	S	*	.	H	α-helix	trans	-72	-29.9	178.4	-67.4	-178.5	-166.2	0	0	112.1	H12 D13 A18	H12-E16 IonicContact ND1-OE1 3.19Å; H12-E16 PolarHBondContact O-N 3.27Å; D13-E16 PolarHBondContact O-N 3.5Å; E16-A18 VanDerWaalsContact C-N 3.3Å
17	A	80.4	Confident	69	Low	74 Å²	74	81 Å²	81	61%	0.612	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.6	174.3	0	0	0	0	0	114.1	D13 C15 E19	D13-A17 VanDerWaalsContact O-CB 3.24Å; D13-A17 WeakPolarHBondContact O-CB 3.43Å; D13-A17 PolarHBondContact O-N 3.39Å; C15-A17 VanDerWaalsContact C-N 3.33Å; A17-E19 PolarHBondContact O-N 2.86Å
18	A	84.8	Confident	71.7	Confident	8 Å²	8	80.7 Å²	80.7	7%	0.066	44%	0.437	C	S	.	.			trans	-66.2	122.7	179.1	0	0	0	0	0	110.7	E14 C15 E16 L699 H700 L703 Y791	E14-A18 PolarHBondContact O-N 2.55Å; C15-A18 WeakPolarHBondContact O-CB 3.06Å; C15-A18 PolarHBondContact O-N 3.36Å; E16-A18 VanDerWaalsContact C-N 3.3Å; A18-L699 HydrophobicContact CB-CD2 4.28Å; A18-H700 PolarHBondContact O-NE2 3Å; A18-L703 HydrophobicContact CB-CD2 3.57Å; A18-Y791 HydrophobicContact CB-CE2 4.04Å
19	E	86.5	Confident	74.1	Confident	155 Å²	155	77.5 Å²	77.5	72%	0.724	43%	0.427	S	S	*	.			trans	-104.6	156.6	177.7	-63.2	-167.8	162.5	0	0	111.5	A17 A21	A17-E19 PolarHBondContact O-N 2.86Å; E19-A21 PolarHBondContact O-N 3.01Å
20	I	86.1	Confident	76.4	Confident	54 Å²	54	76.4 Å²	76.4	28%	0.277	43%	0.425	S	S	.	.			trans	-63.9	129.6	174	-62.2	-65.7	0	0	0	109.1	T22 F695 L699 I790	I20-T22 PolarHBondContact O-N 3.16Å; I20-F695 HydrophobicContact CD1-CB 3.82Å; I20-L699 HydrophobicContact CD1-CB 4.36Å; I20-L699 HydrophobicContact CD1-CD2 3.96Å; I20-I790 CarbonylContact C-O 3.49Å; I20-I790 WeakPolarHBondContact CA-O 3.45Å; I20-I790 HydrophobicContact CD1-CB 4.05Å
21	A	85.1	Confident	79	Confident	24 Å²	24	78 Å²	78	20%	0.198	43%	0.428	C	S	.	.			trans	-57.2	132.9	178.2	0	0	0	0	0	111.5	E19 I790	E19-A21 PolarHBondContact O-N 3.01Å; A21-I790 PolarHBondContact N-O 3.14Å
22	T	77.7	Confident	81	Confident	106 Å²	106	78.1 Å²	78.1	65%	0.65	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-106.5	155.7	176.8	55.4	0	0	0	0	110.4	I20 A24 G766	I20-T22 PolarHBondContact O-N 3.16Å; T22-A24 PolarHBondContact O-N 2.93Å; T22-G766 WeakPolarHBondContact CA-O 3.17Å; T22-G766 WeakPolarHBondContact CB-O 3.49Å
23	H	68.1	Low	82.9	Confident	46 Å²	46	76 Å²	76	21%	0.213	43%	0.431	C	S	.	.			trans	-63.1	119.9	179.1	-96.8	-61	0	0	0	111.5	I763 G766 G767 C768 N769	H23-I763 VanDerWaalsContact NE2-CD1 3.31Å; H23-I763 WeakPolarHBondContact NE2-CD1 3.22Å; H23-G766 PolarHBondContact N-O 3.47Å; H23-G767 PolarHBondContact CD2-O 2.91Å; H23-G767 PolarHBondContact NE2-O 2.99Å; H23-C768 WeakPolarHBondContact NE2-CA 3.44Å; H23-N769 PolarHBondContact NE2-N 2.97Å
24	A	62.4	Low	84.5	Confident	97 Å²	97	72.8 Å²	72.8	80%	0.802	42%	0.42	S	S	*	.			trans	-95.8	-47.3	166.6	0	0	0	0	0	111.3	T22	T22-A24 PolarHBondContact O-N 2.93Å
25	E	80.8	Confident	85.5	Confident	137 Å²	137	68.6 Å²	68.6	64%	0.64	40%	0.4	S	S	*	.			trans	-145.3	160.3	-173.3	-63.3	-174.7	172.1	0	0	111.9
26	Y	89.2	Confident	86.3	Confident	60 Å²	60	69 Å²	69	24%	0.235	40%	0.402	C	S	.	.			trans	-107.3	151.1	175.4	-63.7	-66.3	0	0	0	110	N28 D218 D759 R760 I763	Y26-N28 PolarHBondContact O-ND2 3.23Å; Y26-N28 VanDerWaalsContact O-ND2 3.16Å; Y26-D218 PolarHBondContact OH-OD1 3.49Å; Y26-D218 PolarHBondContact OH-OD2 3.33Å; Y26-D759 WeakPolarHBondContact CD1-O 3.27Å; Y26-D759 WeakPolarHBondContact CE1-O 3.3Å; Y26-R760 HydrophobicContact CD1-CG 3.74Å; Y26-R760 VanDerWaalsContact CD2-NH1 3.26Å; Y26-R760 HydrophobicContact CE1-CG 4.14Å; Y26-R760 HydrophobicContact CG-CG 3.98Å; Y26-I763 HydrophobicContact CE1-CD1 3.64Å
27	G	93	Very high	87.2	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.			trans	-70.6	153.1	175.7	0	0	0	0	0	112.2	R422 D759 R760 D799	G27-R422 VanDerWaalsContact CA-NH2 3.28Å; G27-R422 PolarHBondContact O-NE 2.8Å; G27-D759 WeakPolarHBondContact CA-OD2 3.4Å; G27-D759 PolarHBondContact N-OD2 3.2Å; G27-R760 PolarHBondContact O-NH2 2.85Å; G27-D799 VanDerWaalsContact CA-CG 3.48Å; G27-D799 WeakPolarHBondContact CA-OD1 3.41Å; G27-D799 WeakPolarHBondContact CA-OD2 3.23Å
28	N	95.7	Very high	87.9	Confident	117 Å²	117	59.5 Å²	59.5	63%	0.626	35%	0.345	S	S	*	.			trans	-130.3	-7.1	-174.4	-56.6	-61.2	0	0	0	113.2	Y26 R760 D799	Y26-N28 PolarHBondContact O-ND2 3.23Å; Y26-N28 VanDerWaalsContact O-ND2 3.16Å; N28-R760 PolarHBondContact OD1-NH2 2.56Å; N28-R760 VanDerWaalsContact OD1-NH2 3.13Å; N28-D799 PolarHBondContact N-OD1 3.13Å; N28-D799 PolarHBondContact N-OD2 3.44Å
29	V	96.1	Very high	88.4	Confident	85 Å²	85	59.2 Å²	59.2	52%	0.515	34%	0.342	S	S	.	.			trans	-84.5	143	-177	173.2	0	0	0	0	112.7	R422 L424 D799	V29-R422 WeakPolarHBondContact O-CD 3.43Å; V29-R422 PolarHBondContact O-NH1 3.46Å; V29-L424 HydrophobicContact CG1-CD2 4.41Å; V29-L424 WeakPolarHBondContact O-CD2 3.39Å; V29-D799 HydrophobicContact CB-CB 4.29Å; V29-D799 HydrophobicContact CG2-CB 3.96Å; V29-D799 PolarHBondContact N-OD1 3.19Å; V29-D799 PolarHBondContact N-OD2 2.89Å
30	G	95.9	Very high	88.7	Confident	32 Å²	32	51.8 Å²	51.8	33%	0.33	31%	0.308	S	S	.	.	S	Bend	trans	96.1	169	174.7	0	0	0	0	0	114.6	V423	G30-V423 CarbonylContact C-O 3.57Å; G30-V423 VanDerWaalsContact CA-O 3.3Å; G30-V423 WeakPolarHBondContact CA-O 3.24Å
31	D	95.6	Very high	89.1	Confident	128 Å²	128	53.3 Å²	53.3	68%	0.684	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	123.5	-167.9	-66.9	-41.2	0	0	0	111.7	I33 R422 V423	D31-I33 PolarHBondContact O-N 3.27Å; D31-R422 CarbonylContact O-C 3.58Å; D31-R422 VanDerWaalsContact O-CA 3.29Å; D31-R422 WeakPolarHBondContact O-CA 3.48Å; D31-V423 PolarHBondContact N-O 2.77Å; D31-V423 PolarHBondContact O-N 2.65Å
32	V	94.5	Very high	89.4	Confident	104 Å²	104	52.3 Å²	52.3	63%	0.63	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.7	-178.4	180	0	0	0	0	110.7	R420 G421 R422	V32-R420 HydrophobicContact CG1-CB 4.34Å; V32-R420 HydrophobicContact CG1-CG 4.45Å; V32-G421 WeakPolarHBondContact CA-O 3.26Å; V32-R422 HydrophobicContact CG2-CG 4.44Å
33	I	92	Very high	90.1	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.138	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.3	177.5	-170.6	167	0	0	0	111.2	D31 L35 R420 G421 V423 V736 P753 T756	D31-I33 PolarHBondContact O-N 3.27Å; I33-L35 HydrophobicContact CD1-CD2 4.46Å; I33-L35 HydrophobicContact CG1-CD2 4.24Å; I33-L35 HydrophobicContact CG2-CD1 4.49Å; I33-L35 HydrophobicContact CG2-CD2 4.04Å; I33-L35 HydrophobicContact CG2-CG 4.22Å; I33-R420 CarbonylContact O-C 3.6Å; I33-R420 WeakPolarHBondContact O-CA 3.19Å; I33-G421 PolarHBondContact N-O 3.04Å; I33-G421 PolarHBondContact O-N 3.42Å; I33-V423 HydrophobicContact CB-CG2 4.32Å; I33-V423 HydrophobicContact CD1-CG2 4.45Å; I33-V423 HydrophobicContact CG2-CG2 3.99Å; I33-V736 HydrophobicContact CD1-CB 4.49Å; I33-V736 HydrophobicContact CD1-CG1 3.96Å; I33-V736 HydrophobicContact CD1-CG2 3.75Å; I33-V736 HydrophobicContact CG1-CG1 4.23Å; I33-P753 HydrophobicContact CD1-CG 3.8Å; I33-T756 HydrophobicContact CG2-CG2 4.13Å
34	A	92.5	Very high	91.2	Very high	45 Å²	45	52.8 Å²	52.8	37%	0.372	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.4	174.7	0	0	0	0	0	110.5	N737	A34-N737 HydrophobicContact CB-CB 4.16Å; A34-N737 PolarHBondContact O-N 3.18Å
35	L	91.9	Very high	92.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.8	-175	-57.3	176.3	0	0	0	111.3	I33 Q418 T419 F734 T735 V736 L752 T756 V758	I33-L35 HydrophobicContact CD1-CD2 4.46Å; I33-L35 HydrophobicContact CG1-CD2 4.24Å; I33-L35 HydrophobicContact CG2-CD1 4.49Å; I33-L35 HydrophobicContact CG2-CD2 4.04Å; I33-L35 HydrophobicContact CG2-CG 4.22Å; L35-Q418 CarbonylContact O-C 3.54Å; L35-Q418 VanDerWaalsContact O-CA 3.29Å; L35-Q418 WeakPolarHBondContact O-CA 3.45Å; L35-T419 HydrophobicContact CB-CG2 4.01Å; L35-T419 PolarHBondContact N-O 3.48Å; L35-T419 PolarHBondContact O-N 2.7Å; L35-F734 HydrophobicContact CD1-CB 4.47Å; L35-F734 HydrophobicContact CD1-CD1 4.16Å; L35-T735 CarbonylContact C-O 3.51Å; L35-T735 VanDerWaalsContact CA-O 3.28Å; L35-T735 WeakPolarHBondContact CA-O 3.28Å; L35-V736 HydrophobicContact CD2-CG2 4.31Å; L35-L752 HydrophobicContact CD1-CD1 4.29Å; L35-L752 HydrophobicContact CD2-CD1 3.54Å; L35-T756 HydrophobicContact CD1-CG2 4.02Å; L35-V758 HydrophobicContact CD1-CG2 3.45Å; L35-V758 VanDerWaalsContact CD1-CG2 3.45Å
36	V	91.2	Very high	93.1	Very high	23 Å²	23	48.4 Å²	48.4	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.3	163.5	-172.8	0	0	0	0	108	F416 Q418 F734 T735 N737	V36-F416 HydrophobicContact CG1-CB 3.46Å; V36-F416 VanDerWaalsContact CG1-CB 3.46Å; V36-F416 HydrophobicContact CG1-CG 4.31Å; V36-Q418 HydrophobicContact CG2-CG 4.43Å; V36-F734 CarbonylContact O-C 3.59Å; V36-F734 WeakPolarHBondContact O-CA 3.26Å; V36-T735 HydrophobicContact CB-CG2 3.94Å; V36-T735 PolarHBondContact N-O 2.94Å; V36-T735 PolarHBondContact O-N 2.89Å; V36-N737 HydrophobicContact CG2-CB 3.58Å
37	T	92.7	Very high	92.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	175.5	177.1	74.7	0	0	0	0	111.5	F39 F416 V417 T419 Y733 F734 I762	T37-F39 VanDerWaalsContact C-N 3.26Å; T37-F39 WeakPolarHBondContact OG1-CB 3.34Å; T37-F39 PolarHBondContact OG1-N 3.47Å; T37-F39 VanDerWaalsContact OG1-N 3.09Å; T37-F416 WeakPolarHBondContact O-CB 3.18Å; T37-F416 WeakPolarHBondContact O-CD1 3.45Å; T37-F416 VanDerWaalsContact O-CG 3.29Å; T37-F416 WeakPolarHBondContact O-CG 3.4Å; T37-V417 PolarHBondContact N-O 3.05Å; T37-V417 PolarHBondContact OG1-O 3.4Å; T37-T419 HydrophobicContact CG2-CG2 3.68Å; T37-Y733 WeakPolarHBondContact CA-O 3.29Å; T37-F734 HydrophobicContact CG2-CD1 3.47Å; T37-F734 VanDerWaalsContact CG2-CD1 3.47Å; T37-F734 HydrophobicContact CG2-CE1 3.42Å; T37-F734 VanDerWaalsContact CG2-CE1 3.42Å; T37-I762 HydrophobicContact CG2-CD1 4.22Å; T37-I762 HydrophobicContact CG2-CG1 3.81Å
38	N	93.7	Very high	92.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	21.2	168.2	71.9	-44.3	0	0	0	113.5	N225 V226 L387 H731 Y733	N38-N225 VanDerWaalsContact CG-OD1 3.28Å; N38-N225 PolarHBondContact ND2-OD1 2.62Å; N38-N225 PolarHBondContact OD1-OD1 2.85Å; N38-V226 WeakPolarHBondContact CB-O 3.38Å; N38-V226 PolarHBondContact ND2-O 2.73Å; N38-V226 VanDerWaalsContact O-CG2 3.26Å; N38-V226 WeakPolarHBondContact O-CG2 3.47Å; N38-V226 PolarHBondContact O-N 3.34Å; N38-L387 HydrophobicContact CB-CD2 3.43Å; N38-L387 VanDerWaalsContact CB-CD2 3.43Å; N38-H731 PolarHBondContact ND2-O 2.59Å; N38-Y733 PolarHBondContact N-O 2.94Å; N38-Y733 PolarHBondContact OD1-N 2.64Å; N38-Y733 PolarHBondContact OD1-O 3.34Å
39	F	95.2	Very high	92.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.3	173.7	-73.4	-109.1	0	0	0	110.5	T37 K215 L223 V224 N225 F416 V417 T732 I762	T37-F39 VanDerWaalsContact C-N 3.26Å; T37-F39 WeakPolarHBondContact OG1-CB 3.34Å; T37-F39 PolarHBondContact OG1-N 3.47Å; T37-F39 VanDerWaalsContact OG1-N 3.09Å; F39-K215 HydrophobicContact CE1-CB 4.24Å; F39-K215 HydrophobicContact CE1-CD 3.92Å; F39-K215 HydrophobicContact CE1-CG 4.18Å; F39-K215 HydrophobicContact CZ-CD 4.18Å; F39-L223 HydrophobicContact CB-CB 4.45Å; F39-L223 HydrophobicContact CB-CD1 4.18Å; F39-L223 HydrophobicContact CD1-CB 3.79Å; F39-L223 HydrophobicContact CD1-CD1 4.01Å; F39-L223 HydrophobicContact CG-CD1 4.38Å; F39-V224 CarbonylContact C-O 3.54Å; F39-V224 WeakPolarHBondContact CA-O 3.49Å; F39-N225 HydrophobicContact CD1-CB 4.07Å; F39-N225 HydrophobicContact CE1-CB 3.69Å; F39-N225 HydrophobicContact CE2-CB 4.25Å; F39-N225 HydrophobicContact CZ-CB 3.79Å; F39-F416 CarbonylContact O-C 3.52Å; F39-F416 WeakPolarHBondContact O-CA 3.39Å; F39-V417 HydrophobicContact CB-CB 4.33Å; F39-V417 HydrophobicContact CB-CG2 4.21Å; F39-V417 WeakPolarHBondContact O-CG2 3.19Å; F39-V417 PolarHBondContact O-N 3.17Å; F39-T732 HydrophobicContact CE2-CG2 3.87Å; F39-I762 HydrophobicContact CB-CD1 4.39Å; F39-I762 HydrophobicContact CD1-CG2 4.47Å; F39-I762 HydrophobicContact CD2-CG2 3.57Å; F39-I762 HydrophobicContact CE1-CG2 4.29Å; F39-I762 HydrophobicContact CE2-CG2 3.38Å; F39-I762 HydrophobicContact CG-CD1 4.38Å; F39-I762 HydrophobicContact CG-CG2 4.13Å; F39-I762 HydrophobicContact CZ-CG2 3.76Å
40	V	94.3	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.8	169.2	-63.1	0	0	0	0	109.9	L223 V224 V226 M394 L412 F416	V40-L223 CarbonylContact O-C 3.58Å; V40-L223 WeakPolarHBondContact O-CA 3.25Å; V40-V224 HydrophobicContact CG2-CB 3.98Å; V40-V224 PolarHBondContact N-O 3.47Å; V40-V224 PolarHBondContact O-N 2.71Å; V40-V226 HydrophobicContact CG1-CG2 4.17Å; V40-V226 HydrophobicContact CG2-CG1 4.14Å; V40-M394 HydrophobicContact CG1-CE 4.36Å; V40-M394 HydrophobicContact CG1-SD 4.35Å; V40-M394 HydrophobicContact CG2-CE 4.15Å; V40-L412 HydrophobicContact CG2-CD2 4.21Å; V40-F416 HydrophobicContact CG1-CD1 3.84Å; V40-F416 HydrophobicContact CG1-CE1 4.04Å
41	E	92.6	Very high	92	Very high	85 Å²	85	51 Å²	51	40%	0.397	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.3	177.9	-175	-177.1	-158.1	0	0	111.2	K43 L223 S413	E41-K43 HydrophobicContact CG-CG 4.11Å; E41-K43 WeakPolarHBondContact OE2-CE 3.39Å; E41-L223 HydrophobicContact CB-CD2 4.23Å; E41-L223 HydrophobicContact CG-CD2 4.46Å; E41-S413 PolarHBondContact O-N 3.27Å
42	L	92.5	Very high	92	Very high	3 Å²	3	45 Å²	45	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.6	167	-170.6	74.8	0	0	0	108.7	F145 L165 P222 V224 I410 L412	L42-F145 HydrophobicContact CB-CE1 4.32Å; L42-F145 HydrophobicContact CD2-CE1 3.69Å; L42-F145 HydrophobicContact CD2-CZ 3.64Å; L42-F145 HydrophobicContact CG-CE1 3.78Å; L42-F145 HydrophobicContact CG-CZ 4.12Å; L42-L165 HydrophobicContact CD2-CD1 3.79Å; L42-L165 HydrophobicContact CD2-CD2 3.67Å; L42-L165 HydrophobicContact CD2-CG 4.32Å; L42-P222 HydrophobicContact CB-CB 4.19Å; L42-P222 WeakPolarHBondContact CB-O 3.17Å; L42-P222 HydrophobicContact CD2-CB 4.31Å; L42-P222 PolarHBondContact N-O 2.74Å; L42-V224 HydrophobicContact CB-CG2 4.43Å; L42-V224 HydrophobicContact CD1-CG2 4.28Å; L42-I410 HydrophobicContact CD1-CB 4.41Å; L42-I410 HydrophobicContact CD1-CD1 4.34Å; L42-L412 HydrophobicContact CD1-CD2 3.55Å
43	K	91.9	Very high	92	Very high	83 Å²	83	40.4 Å²	40.4	36%	0.361	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.2	-174.5	-64.4	-179.3	178.4	178.6	0	110.9	E41 I410 A411	E41-K43 HydrophobicContact CG-CG 4.11Å; E41-K43 WeakPolarHBondContact OE2-CE 3.39Å; K43-I410 CarbonylContact O-C 3.4Å; K43-I410 VanDerWaalsContact O-CA 3.3Å; K43-I410 WeakPolarHBondContact O-CA 3.15Å; K43-A411 PolarHBondContact N-O 2.86Å; K43-A411 PolarHBondContact O-N 3.34Å
44	K	92	Very high	92.1	Very high	80 Å²	80	40.5 Å²	40.5	35%	0.348	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.4	164	-170.8	-170.9	-176.1	-153.2	0	108.5	V46 T47 S48 I50 F145	K44-V46 WeakPolarHBondContact CD-O 3.27Å; K44-V46 WeakPolarHBondContact CE-O 2.92Å; K44-V46 HydrophobicContact CG-CG2 4.22Å; K44-V46 WeakPolarHBondContact CG-O 3.36Å; K44-V46 PolarHBondContact NZ-O 2.98Å; K44-T47 PolarHBondContact NZ-O 3.19Å; K44-S48 WeakPolarHBondContact CE-O 3.08Å; K44-S48 PolarHBondContact NZ-O 2.84Å; K44-I50 HydrophobicContact CG-CD1 3.86Å; K44-F145 HydrophobicContact CB-CB 4.14Å; K44-F145 HydrophobicContact CB-CD1 3.85Å; K44-F145 HydrophobicContact CB-CD2 4.36Å; K44-F145 HydrophobicContact CB-CE1 4.36Å; K44-F145 HydrophobicContact CB-CG 3.85Å; K44-F145 HydrophobicContact CD-CB 4.47Å
45	I	92.4	Very high	92.4	Very high	93 Å²	93	38.5 Å²	38.5	48%	0.477	20%	0.203	S	C	.	.			trans	-106.7	-1.5	-179.6	58.5	165.1	0	0	0	113.3	K406 G409 A411	I45-K406 HydrophobicContact CD1-CG 4.3Å; I45-G409 VanDerWaalsContact CG1-O 3.26Å; I45-G409 WeakPolarHBondContact CG1-O 3.19Å; I45-G409 PolarHBondContact N-O 3.06Å; I45-A411 HydrophobicContact CD1-CB 4.43Å; I45-A411 HydrophobicContact CG2-CB 3.62Å
46	V	90.8	Very high	92.6	Very high	49 Å²	49	42 Å²	42	30%	0.297	22%	0.221	S	C	.	.			trans	-107.1	147.2	174.5	-65.2	0	0	0	0	111.2	K44 I50	K44-V46 WeakPolarHBondContact CD-O 3.27Å; K44-V46 WeakPolarHBondContact CE-O 2.92Å; K44-V46 HydrophobicContact CG-CG2 4.22Å; K44-V46 WeakPolarHBondContact CG-O 3.36Å; K44-V46 PolarHBondContact NZ-O 2.98Å; V46-I50 HydrophobicContact CG2-CD1 4.16Å; V46-I50 HydrophobicContact CG2-CG1 3.74Å
47	T	85.5	Confident	92.9	Very high	147 Å²	147	41 Å²	41	90%	0.902	22%	0.215	S	C	*	.	S	Bend	trans	-77.4	-39.1	174.4	50.2	0	0	0	0	111.3	K44	K44-T47 PolarHBondContact NZ-O 3.19Å
48	S	87.1	Confident	93.1	Very high	63 Å²	63	47.1 Å²	47.1	44%	0.441	24%	0.242	S	C	.	.	S	Bend	trans	-61.3	161.7	175.8	58.1	0	0	0	0	112.8	K44	K44-S48 WeakPolarHBondContact CE-O 3.08Å; K44-S48 PolarHBondContact NZ-O 2.84Å
49	E	88.4	Confident	93.1	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	25%	0.246	S	C	.	.			trans	-69	142.6	175	-54.5	-169.5	142	0	0	110.8	V51 K142	E49-V51 HydrophobicContact CB-CG2 4.33Å; E49-V51 PolarHBondContact O-N 3.43Å; E49-K142 WeakPolarHBondContact OE1-CE 3.47Å; E49-K142 IonicContact OE1-NZ 3.34Å; E49-K142 PolarHBondContact OE1-NZ 3.31Å; E49-K142 WeakPolarHBondContact OE2-CE 3.37Å; E49-K142 IonicContact OE2-NZ 2.62Å; E49-K142 PolarHBondContact OE2-NZ 2.94Å
50	I	91.6	Very high	93	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.5	173.9	-61.5	170.2	0	0	0	107.2	K44 V46 I52 L143 F145 I410	K44-I50 HydrophobicContact CG-CD1 3.86Å; V46-I50 HydrophobicContact CG2-CD1 4.16Å; V46-I50 HydrophobicContact CG2-CG1 3.74Å; I50-I52 HydrophobicContact CG2-CG1 4.28Å; I50-L143 HydrophobicContact CB-CB 4.24Å; I50-L143 HydrophobicContact CG2-CB 4.23Å; I50-L143 HydrophobicContact CG2-CD1 4.12Å; I50-L143 HydrophobicContact CG2-CG 4.38Å; I50-L143 PolarHBondContact O-N 3.05Å; I50-F145 HydrophobicContact CD1-CD2 4.32Å; I50-F145 HydrophobicContact CD1-CE2 3.83Å; I50-F145 HydrophobicContact CD1-CZ 4.41Å; I50-I410 HydrophobicContact CD1-CG2 3.66Å
51	V	93.5	Very high	92.5	Very high	27 Å²	27	52.1 Å²	52.1	16%	0.164	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.4	176.8	-177.2	0	0	0	0	108.1	E49 N103 D104 L140 K142	E49-V51 HydrophobicContact CB-CG2 4.33Å; E49-V51 PolarHBondContact O-N 3.43Å; V51-N103 PolarHBondContact O-OD1 3.15Å; V51-D104 HydrophobicContact CB-CB 3.73Å; V51-D104 HydrophobicContact CG1-CB 3.73Å; V51-D104 WeakPolarHBondContact O-CB 3.48Å; V51-D104 PolarHBondContact O-N 2.93Å; V51-L140 HydrophobicContact CG1-CB 4.48Å; V51-L140 HydrophobicContact CG1-CD2 3.52Å; V51-K142 HydrophobicContact CG2-CG 4.43Å
52	I	94.9	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.5	-177.3	-61	177.8	0	0	0	108.3	I50 L101 V102 L140 T141 L143 M164 I168 F408	I50-I52 HydrophobicContact CG2-CG1 4.28Å; I52-L101 HydrophobicContact CG2-CB 3.81Å; I52-L101 HydrophobicContact CG2-CD2 4.02Å; I52-L101 HydrophobicContact CG2-CG 4.42Å; I52-V102 WeakPolarHBondContact CA-O 3.5Å; I52-L140 CarbonylContact O-C 3.57Å; I52-L140 WeakPolarHBondContact O-CA 3.2Å; I52-T141 PolarHBondContact N-O 2.97Å; I52-T141 PolarHBondContact O-N 3.01Å; I52-L143 HydrophobicContact CD1-CD1 3.45Å; I52-L143 VanDerWaalsContact CD1-CD1 3.45Å; I52-L143 HydrophobicContact CD1-CG 3.85Å; I52-L143 HydrophobicContact CG1-CD1 4.45Å; I52-M164 HydrophobicContact CD1-SD 4.45Å; I52-M164 HydrophobicContact CG2-SD 4.43Å; I52-I168 HydrophobicContact CD1-CD1 3.86Å; I52-F408 HydrophobicContact CD1-CD1 4.22Å; I52-F408 HydrophobicContact CD1-CE1 4.32Å; I52-F408 HydrophobicContact CG1-CD1 4.26Å; I52-F408 HydrophobicContact CG1-CE1 4.23Å; I52-F408 HydrophobicContact CG2-CE1 4.45Å
53	R	95	Very high	90	Very high	8 Å²	8	66.2 Å²	66.2	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.5	166.4	-70.2	175.8	-69	-176.8	-3.4	108.8	Y55 V102 N103 D104 N108 E110 L140	R53-Y55 HydrophobicContact CB-CE2 3.91Å; R53-V102 HydrophobicContact CB-CB 4.29Å; R53-V102 PolarHBondContact N-O 3.48Å; R53-V102 PolarHBondContact O-N 2.91Å; R53-N103 PolarHBondContact NH2-O 3.43Å; R53-D104 WeakPolarHBondContact CD-OD1 3.45Å; R53-D104 HydrophobicContact CG-CB 4.16Å; R53-D104 WeakPolarHBondContact CG-OD1 3.32Å; R53-D104 IonicContact CZ-OD1 3.99Å; R53-D104 IonicContact NE-OD1 3.59Å; R53-D104 PolarHBondContact NE-OD1 3.4Å; R53-N108 PolarHBondContact NH1-O 3.26Å; R53-N108 PolarHBondContact NH2-O 2.78Å; R53-E110 VanDerWaalsContact NH1-CB 3.26Å; R53-L140 HydrophobicContact CB-CD2 4.48Å; R53-L140 HydrophobicContact CG-CD2 3.44Å; R53-L140 VanDerWaalsContact CG-CD2 3.44Å; R53-L140 HydrophobicContact CG-CG 4.21Å
54	Q	95.5	Very high	88.7	Confident	30 Å²	30	64.7 Å²	64.7	14%	0.14	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.2	176.6	-176.5	178.2	-20.7	0	0	110.5	I99 L100 L101 V138 G139 M164	Q54-I99 HydrophobicContact CG-CG2 4.13Å; Q54-L100 WeakPolarHBondContact CA-O 3.34Å; Q54-L101 HydrophobicContact CB-CD2 4.37Å; Q54-L101 HydrophobicContact CG-CD2 4.16Å; Q54-V138 HydrophobicContact CG-CB 4.4Å; Q54-V138 PolarHBondContact O-N 3.42Å; Q54-G139 PolarHBondContact N-O 2.92Å; Q54-G139 PolarHBondContact O-N 3.1Å; Q54-M164 HydrophobicContact CB-CE 4.35Å
55	Y	97.2	Very high	88	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.6	174.1	-69.1	-95.6	0	0	0	110	R53 L100 V102 F111 A135 R136 K137	R53-Y55 HydrophobicContact CB-CE2 3.91Å; Y55-L100 HydrophobicContact CD2-CD2 4.41Å; Y55-L100 HydrophobicContact CG-CD2 4.4Å; Y55-L100 PolarHBondContact N-O 3.36Å; Y55-L100 PolarHBondContact O-N 3.16Å; Y55-V102 HydrophobicContact CD2-CG2 3.9Å; Y55-V102 HydrophobicContact CE2-CB 4.45Å; Y55-V102 HydrophobicContact CE2-CG2 3.95Å; Y55-F111 HydrophobicContact CD1-CD2 4.21Å; Y55-F111 AromaticContact CD1-CE2 3.56Å; Y55-F111 HydrophobicContact CD1-CE2 3.56Å; Y55-F111 HydrophobicContact CD1-CZ 4.18Å; Y55-F111 AromaticContact CE1-CD2 3.49Å; Y55-F111 HydrophobicContact CE1-CD2 3.49Å; Y55-F111 VanDerWaalsContact CE1-CD2 3.49Å; Y55-F111 AromaticContact CE1-CE2 3.19Å; Y55-F111 HydrophobicContact CE1-CE2 3.19Å; Y55-F111 HydrophobicContact CE1-CG 4.3Å; Y55-F111 AromaticContact CE1-CZ 3.78Å; Y55-F111 HydrophobicContact CE1-CZ 3.78Å; Y55-F111 VanDerWaalsContact CE1-O 3.24Å; Y55-F111 WeakPolarHBondContact CE1-O 3.34Å; Y55-F111 AromaticContact CZ-CE2 3.89Å; Y55-F111 PolarHBondContact OH-N 3.38Å; Y55-F111 PolarHBondContact OH-O 3.48Å; Y55-A135 HydrophobicContact CD1-CB 4.42Å; Y55-R136 CarbonylContact C-O 3.18Å; Y55-R136 WeakPolarHBondContact CA-O 3.16Å; Y55-K137 VanDerWaalsContact CD1-CA 3.5Å; Y55-K137 HydrophobicContact CD1-CB 4Å; Y55-K137 HydrophobicContact CE1-CB 3.59Å; Y55-K137 HydrophobicContact CE1-CG 4.15Å
56	D	97.5	Very high	87.5	Confident	73 Å²	73	68 Å²	68	39%	0.39	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.9	164.1	-175.4	50.1	0	0	0	108.4	S98 A135 R136 V138	D56-S98 CarbonylContact C-O 3.57Å; D56-S98 WeakPolarHBondContact CA-O 3.45Å; D56-A135 CarbonylContact O-C 3.5Å; D56-A135 WeakPolarHBondContact O-CA 3.45Å; D56-R136 PolarHBondContact N-O 2.98Å; D56-R136 PolarHBondContact O-N 2.89Å; D56-V138 HydrophobicContact CB-CG2 3.7Å
57	V	97.2	Very high	87	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.2	-176	-179.2	0	0	0	0	108.7	I59 F75 Y94 S98 L100 V133 E134 A135	V57-I59 HydrophobicContact CG1-CD1 4.29Å; V57-I59 HydrophobicContact CG1-CG1 3.95Å; V57-F75 HydrophobicContact CG1-CD2 4.21Å; V57-F75 HydrophobicContact CG2-CE2 4.49Å; V57-Y94 HydrophobicContact CB-CE2 3.86Å; V57-Y94 HydrophobicContact CG1-CE2 4.05Å; V57-Y94 HydrophobicContact CG2-CD2 4.36Å; V57-Y94 HydrophobicContact CG2-CE2 4.18Å; V57-S98 PolarHBondContact N-O 3.27Å; V57-S98 WeakPolarHBondContact O-CA 3.18Å; V57-L100 HydrophobicContact CG2-CB 3.44Å; V57-L100 VanDerWaalsContact CG2-CB 3.44Å; V57-L100 HydrophobicContact CG2-CD2 4.33Å; V57-V133 HydrophobicContact CG1-CG1 4.07Å; V57-E134 CarbonylContact C-O 3.46Å; V57-E134 WeakPolarHBondContact CA-O 3.22Å; V57-A135 HydrophobicContact CG2-CB 4.25Å
58	K	96.3	Very high	86.9	Confident	129 Å²	129	65.7 Å²	65.7	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.4	174.6	-166.4	-179.9	-180	178.1	0	109.3	T60 E134	K58-T60 HydrophobicContact CD-CG2 4.3Å; K58-T60 HydrophobicContact CG-CG2 4.04Å; K58-E134 PolarHBondContact N-O 2.88Å; K58-E134 PolarHBondContact O-N 2.55Å
59	I	94.5	Very high	86.6	Confident	16 Å²	16	67.7 Å²	67.7	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.7	175.6	-51	-176.3	0	0	0	108.2	V57 L66 K71 A74 F75 L131 T132 V133	V57-I59 HydrophobicContact CG1-CD1 4.29Å; V57-I59 HydrophobicContact CG1-CG1 3.95Å; I59-L66 HydrophobicContact CB-CD1 4.14Å; I59-L66 HydrophobicContact CG2-CD1 3.67Å; I59-K71 HydrophobicContact CD1-CB 4.06Å; I59-K71 HydrophobicContact CD1-CG 4.33Å; I59-K71 WeakPolarHBondContact CD1-O 3.46Å; I59-A74 HydrophobicContact CD1-CB 4.14Å; I59-A74 HydrophobicContact CG2-CB 4.15Å; I59-F75 HydrophobicContact CD1-CB 4.25Å; I59-L131 HydrophobicContact CG2-CB 4.2Å; I59-L131 HydrophobicContact CG2-CD1 3.88Å; I59-L131 HydrophobicContact CG2-CG 4.47Å; I59-T132 WeakPolarHBondContact CA-O 3.31Å; I59-V133 HydrophobicContact CD1-CG2 4.38Å; I59-V133 HydrophobicContact CG1-CG1 4.33Å; I59-V133 HydrophobicContact CG1-CG2 4.19Å; I59-V133 HydrophobicContact CG2-CG2 4.28Å
60	T	91.6	Very high	86.4	Confident	64 Å²	64	62.7 Å²	62.7	39%	0.393	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.3	-176.9	52.3	0	0	0	0	111.7	K58 T132	K58-T60 HydrophobicContact CD-CG2 4.3Å; K58-T60 HydrophobicContact CG-CG2 4.04Å; T60-T132 PolarHBondContact N-O 3.38Å; T60-T132 PolarHBondContact O-N 3.06Å
61	G	84.5	Confident	86.3	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	31%	0.314	S	S	.	.			trans	-135.2	161.2	171.7	0	0	0	0	0	110.3	E63	G61-E63 VanDerWaalsContact C-N 3.32Å; G61-E63 PolarHBondContact O-N 3.1Å
62	K	71.7	Confident	86.1	Confident	208 Å²	208	63.8 Å²	63.8	90%	0.904	31%	0.31	S	S	*	.	S	Bend	trans	-61.4	-33.9	-171.3	-71.8	-176	177.1	178.8	0	113.8
63	E	61.4	Low	85.7	Confident	175 Å²	175	66.5 Å²	66.5	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-148.8	21.1	-166.2	-64.2	-173	168.7	0	0	116.8	G61	G61-E63 VanDerWaalsContact C-N 3.32Å; G61-E63 PolarHBondContact O-N 3.1Å
64	T	65.2	Low	85.5	Confident	52 Å²	52	66.1 Å²	66.1	32%	0.319	32%	0.322	S	S	.	.			trans	-135.4	134.5	-176.2	48.8	0	0	0	0	114.6	L66 T125	T64-L66 PolarHBondContact O-N 3.38Å; T64-T125 HydrophobicContact CG2-CG2 4.03Å
65	K	75.4	Confident	85.5	Confident	209 Å²	209	64.7 Å²	64.7	91%	0.909	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-69.5	117.9	162.9	-78.1	-173.2	178.6	-178.7	0	108.2
66	L	82.5	Confident	85.3	Confident	32 Å²	32	64.6 Å²	64.6	17%	0.168	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-84.5	130.3	-178.8	-56.6	-178.8	0	0	0	111	I59 T64 D70 K71 M122 L131	I59-L66 HydrophobicContact CB-CD1 4.14Å; I59-L66 HydrophobicContact CG2-CD1 3.67Å; T64-L66 PolarHBondContact O-N 3.38Å; L66-D70 HydrophobicContact CB-CB 4.35Å; L66-D70 HydrophobicContact CD2-CB 4.4Å; L66-K71 HydrophobicContact CB-CG 3.98Å; L66-K71 HydrophobicContact CD1-CG 4.35Å; L66-M122 HydrophobicContact CD2-CE 3.31Å; L66-M122 HydrophobicContact CD2-SD 3.74Å; L66-L131 HydrophobicContact CD1-CD1 4.25Å; L66-L131 HydrophobicContact CD1-CD2 4.14Å; L66-L131 HydrophobicContact CD2-CD1 4.39Å; L66-L131 HydrophobicContact CD2-CD2 4.18Å
67	T	80.7	Confident	85	Confident	42 Å²	42	62.9 Å²	62.9	26%	0.258	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-72.9	165.8	169	69.4	0	0	0	0	110.5	E69 D70 K71	T67-E69 PolarHBondContact O-N 3.5Å; T67-E69 PolarHBondContact OG1-N 3.45Å; T67-D70 WeakPolarHBondContact CB-OD2 3.41Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T67-D70 PolarHBondContact N-OD2 3.17Å; T67-D70 PolarHBondContact O-N 2.87Å; T67-D70 PolarHBondContact OG1-N 3.47Å; T67-D70 VanDerWaalsContact OG1-N 3.09Å; T67-D70 PolarHBondContact OG1-OD2 3.28Å; T67-K71 WeakPolarHBondContact O-CG 3.03Å; T67-K71 PolarHBondContact O-N 3.48Å; T67-K71 VanDerWaalsContact O-N 3.09Å
68	K	83.3	Confident	84.9	Confident	107 Å²	107	62.8 Å²	62.8	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-35.8	173.5	-167.9	179.7	-178.2	174.8	0	111.8	Q72 D95 G96	K68-Q72 WeakPolarHBondContact O-CG 3.28Å; K68-Q72 PolarHBondContact O-N 3.08Å; K68-D95 WeakPolarHBondContact CE-O 3.48Å; K68-D95 PolarHBondContact NZ-O 2.77Å; K68-G96 WeakPolarHBondContact CG-O 3.19Å
69	E	80.5	Confident	84.9	Confident	104 Å²	104	56.8 Å²	56.8	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-71.9	-41.7	179	-172.2	169.8	174.4	0	0	111.7	T67 K71 Q72 N73 L123	T67-E69 PolarHBondContact O-N 3.5Å; T67-E69 PolarHBondContact OG1-N 3.45Å; E69-K71 VanDerWaalsContact C-N 3.29Å; E69-K71 PolarHBondContact O-N 3.46Å; E69-Q72 PolarHBondContact O-N 3.31Å; E69-N73 PolarHBondContact O-N 2.84Å; E69-N73 PolarHBondContact O-ND2 3.39Å; E69-L123 HydrophobicContact CB-CD1 3.86Å; E69-L123 HydrophobicContact CG-CD1 4.13Å
70	D	84.7	Confident	84.8	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-43.8	174	-60.1	-46.9	0	0	0	111.1	L66 T67 N73 A74 M122 L123	L66-D70 HydrophobicContact CB-CB 4.35Å; L66-D70 HydrophobicContact CD2-CB 4.4Å; T67-D70 WeakPolarHBondContact CB-OD2 3.41Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T67-D70 PolarHBondContact N-OD2 3.17Å; T67-D70 PolarHBondContact O-N 2.87Å; T67-D70 PolarHBondContact OG1-N 3.47Å; T67-D70 VanDerWaalsContact OG1-N 3.09Å; T67-D70 PolarHBondContact OG1-OD2 3.28Å; D70-N73 PolarHBondContact O-N 3.32Å; D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.23Å; D70-A74 PolarHBondContact O-N 3.32Å; D70-M122 VanDerWaalsContact OD1-CA 3.28Å; D70-M122 WeakPolarHBondContact OD1-CA 3.48Å; D70-M122 WeakPolarHBondContact OD1-CB 3.4Å; D70-L123 PolarHBondContact OD1-N 3.28Å
71	K	89.9	Confident	85	Confident	41 Å²	41	63.3 Å²	63.3	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-43.6	176.9	-71.8	-178.1	178.2	-172.2	0	112.5	I59 L66 T67 E69 A74 F75 Y94 G96 Q97	I59-K71 HydrophobicContact CD1-CB 4.06Å; I59-K71 HydrophobicContact CD1-CG 4.33Å; I59-K71 WeakPolarHBondContact CD1-O 3.46Å; L66-K71 HydrophobicContact CB-CG 3.98Å; L66-K71 HydrophobicContact CD1-CG 4.35Å; T67-K71 WeakPolarHBondContact O-CG 3.03Å; T67-K71 PolarHBondContact O-N 3.48Å; T67-K71 VanDerWaalsContact O-N 3.09Å; E69-K71 VanDerWaalsContact C-N 3.29Å; E69-K71 PolarHBondContact O-N 3.46Å; K71-A74 PolarHBondContact O-N 3.11Å; K71-F75 VanDerWaalsContact O-CB 3.3Å; K71-F75 WeakPolarHBondContact O-CB 3.16Å; K71-F75 PolarHBondContact O-N 2.78Å; K71-Y94 HydrophobicContact CB-CE1 4.49Å; K71-G96 WeakPolarHBondContact CB-O 3.5Å; K71-G96 WeakPolarHBondContact CD-O 3.37Å; K71-Q97 PolarHBondContact NZ-O 3.3Å; K71-Q97 VanDerWaalsContact NZ-O 3.13Å
72	Q	88.1	Confident	85.4	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.065	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-49.8	175	-78.4	-74.3	-6.5	0	0	110.9	K68 E69 A74 F75 W76 Y94	K68-Q72 WeakPolarHBondContact O-CG 3.28Å; K68-Q72 PolarHBondContact O-N 3.08Å; E69-Q72 PolarHBondContact O-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.12Å; Q72-F75 PolarHBondContact O-N 2.87Å; Q72-W76 PolarHBondContact O-N 3.25Å; Q72-Y94 PolarHBondContact NE2-O 3.31Å
73	N	86.5	Confident	86.4	Confident	56 Å²	56	59.1 Å²	59.1	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-43.6	-179.8	-69.9	-19.1	0	0	0	112	E69 D70 T77	E69-N73 PolarHBondContact O-N 2.84Å; E69-N73 PolarHBondContact O-ND2 3.39Å; D70-N73 PolarHBondContact O-N 3.32Å; N73-T77 WeakPolarHBondContact O-CB 3.27Å; N73-T77 PolarHBondContact O-N 3.28Å; N73-T77 PolarHBondContact O-OG1 3.43Å
74	A	91.4	Very high	87.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-47.7	175.2	0	0	0	0	0	112.3	I59 D70 K71 Q72 T77 F78 V118 V120 L131	I59-A74 HydrophobicContact CD1-CB 4.14Å; I59-A74 HydrophobicContact CG2-CB 4.15Å; D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.23Å; D70-A74 PolarHBondContact O-N 3.32Å; K71-A74 PolarHBondContact O-N 3.11Å; Q72-A74 PolarHBondContact O-N 3.12Å; A74-T77 PolarHBondContact O-N 2.96Å; A74-F78 WeakPolarHBondContact O-CB 3.45Å; A74-F78 PolarHBondContact O-N 2.84Å; A74-V118 HydrophobicContact CB-CG2 4.18Å; A74-V120 HydrophobicContact CB-CG1 4.45Å; A74-V120 HydrophobicContact CB-CG2 4.16Å; A74-L131 HydrophobicContact CB-CD1 3.66Å
75	F	94.8	Very high	89.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-46.9	-180	176.9	-100.3	0	0	0	112.3	V57 I59 K71 Q72 T77 F78 V79 Y94 L100	V57-F75 HydrophobicContact CG1-CD2 4.21Å; V57-F75 HydrophobicContact CG2-CE2 4.49Å; I59-F75 HydrophobicContact CD1-CB 4.25Å; K71-F75 VanDerWaalsContact O-CB 3.3Å; K71-F75 WeakPolarHBondContact O-CB 3.16Å; K71-F75 PolarHBondContact O-N 2.78Å; Q72-F75 PolarHBondContact O-N 2.87Å; F75-T77 PolarHBondContact O-N 2.98Å; F75-F78 VanDerWaalsContact O-CB 3.3Å; F75-F78 WeakPolarHBondContact O-CB 3.21Å; F75-F78 PolarHBondContact O-N 2.93Å; F75-F78 VanDerWaalsContact O-N 3.15Å; F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CE1-CG2 3.62Å; F75-V79 HydrophobicContact CE2-CG2 4.09Å; F75-V79 HydrophobicContact CZ-CG2 3.52Å; F75-V79 WeakPolarHBondContact O-CG2 3.14Å; F75-V79 PolarHBondContact O-N 2.85Å; F75-Y94 HydrophobicContact CB-CD1 3.64Å; F75-Y94 HydrophobicContact CB-CE1 3.6Å; F75-Y94 HydrophobicContact CB-CG 4.39Å; F75-Y94 AromaticContact CD1-CD1 3.52Å; F75-Y94 HydrophobicContact CD1-CD1 3.52Å; F75-Y94 HydrophobicContact CD1-CE1 4.35Å; F75-Y94 AromaticContact CD1-CG 3.64Å; F75-Y94 HydrophobicContact CD1-CG 3.64Å; F75-Y94 HydrophobicContact CD2-CD1 4.36Å; F75-Y94 HydrophobicContact CD2-CG 4.31Å; F75-Y94 HydrophobicContact CE1-CD1 4.34Å; F75-Y94 HydrophobicContact CE1-CG 4.01Å; F75-Y94 AromaticContact CG-CD1 3.54Å; F75-Y94 HydrophobicContact CG-CD1 3.54Å; F75-Y94 HydrophobicContact CG-CD2 4.42Å; F75-Y94 AromaticContact CG-CE1 3.92Å; F75-Y94 HydrophobicContact CG-CE1 3.92Å; F75-Y94 AromaticContact CG-CG 3.82Å; F75-Y94 HydrophobicContact CG-CG 3.82Å; F75-L100 HydrophobicContact CE1-CD1 4.18Å; F75-L100 HydrophobicContact CE2-CD1 4.22Å; F75-L100 HydrophobicContact CE2-CD2 3.87Å; F75-L100 HydrophobicContact CE2-CG 4.46Å; F75-L100 HydrophobicContact CZ-CD1 3.49Å; F75-L100 VanDerWaalsContact CZ-CD1 3.49Å; F75-L100 HydrophobicContact CZ-CD2 3.86Å; F75-L100 HydrophobicContact CZ-CG 4.18Å
76	W	92.8	Very high	90	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-70.9	-32.1	-179.4	-71.9	107.3	0	0	0	113	Q72 F78 V79 Q80 P89 L92 Q171 C175 P176 L177 F404	Q72-W76 PolarHBondContact O-N 3.25Å; W76-F78 VanDerWaalsContact C-N 3.31Å; W76-V79 HydrophobicContact CE3-CB 4.25Å; W76-V79 HydrophobicContact CE3-CG1 4.29Å; W76-V79 HydrophobicContact CE3-CG2 4.33Å; W76-V79 HydrophobicContact CZ3-CG1 4.31Å; W76-V79 PolarHBondContact O-N 2.87Å; W76-Q80 WeakPolarHBondContact O-CG 3.3Å; W76-Q80 PolarHBondContact O-N 2.97Å; W76-Q80 VanDerWaalsContact O-N 3.08Å; W76-P89 HydrophobicContact CZ3-CB 4.48Å; W76-L92 HydrophobicContact CH2-CB 4.17Å; W76-Q171 HydrophobicContact CZ2-CG 4.29Å; W76-C175 VanDerWaalsContact CE3-SG 3.55Å; W76-C175 HydrophobicContact CH2-CB 4.41Å; W76-C175 HydrophobicContact CZ2-CB 4.11Å; W76-C175 VanDerWaalsContact CZ3-SG 3.53Å; W76-P176 HydrophobicContact CB-CG 3.55Å; W76-P176 VanDerWaalsContact CG-CD 3.46Å; W76-P176 HydrophobicContact CG-CG 3.71Å; W76-L177 HydrophobicContact CE3-CD1 3.8Å; W76-L177 HydrophobicContact CE3-CG 4.2Å; W76-L177 HydrophobicContact CZ3-CD1 3.9Å; W76-F404 AromaticContact CH2-CE1 3.99Å; W76-F404 HydrophobicContact CH2-CE1 3.99Å; W76-F404 HydrophobicContact CH2-CZ 4.29Å
77	T	92.7	Very high	90.4	Very high	37 Å²	37	49.5 Å²	49.5	23%	0.227	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-42	169.2	-56.4	0	0	0	0	110.6	N73 A74 F75 Q80 Q81 V118 V120	N73-T77 WeakPolarHBondContact O-CB 3.27Å; N73-T77 PolarHBondContact O-N 3.28Å; N73-T77 PolarHBondContact O-OG1 3.43Å; A74-T77 PolarHBondContact O-N 2.96Å; F75-T77 PolarHBondContact O-N 2.98Å; T77-Q80 PolarHBondContact O-N 3.48Å; T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 2.93Å; T77-Q81 VanDerWaalsContact O-N 3.12Å; T77-V118 HydrophobicContact CG2-CB 4.27Å; T77-V118 HydrophobicContact CG2-CG1 4.35Å; T77-V120 HydrophobicContact CG2-CG1 4.09Å; T77-V120 WeakPolarHBondContact OG1-CG1 3.39Å
78	F	95.4	Very high	91	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-45.8	175.6	173.6	-107.9	0	0	0	111.4	A74 F75 W76 Q80 Q81 Y82 F86 L114 V118 V133	A74-F78 WeakPolarHBondContact O-CB 3.45Å; A74-F78 PolarHBondContact O-N 2.84Å; F75-F78 VanDerWaalsContact O-CB 3.3Å; F75-F78 WeakPolarHBondContact O-CB 3.21Å; F75-F78 PolarHBondContact O-N 2.93Å; F75-F78 VanDerWaalsContact O-N 3.15Å; W76-F78 VanDerWaalsContact C-N 3.31Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 3.37Å; F78-Q81 PolarHBondContact O-N 2.7Å; F78-Q81 VanDerWaalsContact O-N 3.11Å; F78-Y82 AromaticContact CD2-CD2 3.71Å; F78-Y82 HydrophobicContact CD2-CD2 3.71Å; F78-Y82 AromaticContact CD2-CE2 3.51Å; F78-Y82 HydrophobicContact CD2-CE2 3.51Å; F78-Y82 AromaticContact CE2-CD2 3.6Å; F78-Y82 HydrophobicContact CE2-CD2 3.6Å; F78-Y82 AromaticContact CE2-CE2 3.29Å; F78-Y82 HydrophobicContact CE2-CE2 3.29Å; F78-Y82 HydrophobicContact CE2-CG 4.43Å; F78-Y82 AromaticContact CE2-CZ 3.88Å; F78-Y82 HydrophobicContact CG-CD2 4.44Å; F78-Y82 HydrophobicContact CZ-CD2 4.27Å; F78-Y82 HydrophobicContact CZ-CE2 4.28Å; F78-Y82 WeakPolarHBondContact O-CD2 3.34Å; F78-Y82 PolarHBondContact O-N 3.13Å; F78-F86 HydrophobicContact CD1-CE2 4.07Å; F78-F86 HydrophobicContact CD1-CZ 4.46Å; F78-F86 AromaticContact CE1-CE2 3.75Å; F78-F86 HydrophobicContact CE1-CE2 3.75Å; F78-F86 AromaticContact CE1-CZ 3.92Å; F78-F86 HydrophobicContact CE1-CZ 3.92Å; F78-F86 HydrophobicContact CZ-CE2 4.46Å; F78-L114 HydrophobicContact CE1-CD2 3.88Å; F78-L114 HydrophobicContact CZ-CD2 3.54Å; F78-L114 HydrophobicContact CZ-CG 3.78Å; F78-V118 VanDerWaalsContact CA-CG1 3.48Å; F78-V118 HydrophobicContact CB-CG1 3.57Å; F78-V118 HydrophobicContact CD2-CG1 4.11Å; F78-V118 HydrophobicContact CG-CG1 4.36Å; F78-V133 HydrophobicContact CB-CB 4.33Å; F78-V133 HydrophobicContact CB-CG1 4.38Å; F78-V133 HydrophobicContact CB-CG2 4.09Å; F78-V133 HydrophobicContact CD1-CB 4.3Å; F78-V133 HydrophobicContact CD1-CG1 3.76Å; F78-V133 HydrophobicContact CD2-CB 4.02Å; F78-V133 HydrophobicContact CD2-CG1 4.38Å; F78-V133 HydrophobicContact CE1-CG1 4Å; F78-V133 HydrophobicContact CE2-CB 4.35Å; F78-V133 HydrophobicContact CG-CB 3.97Å; F78-V133 HydrophobicContact CG-CG1 3.93Å; F78-V133 HydrophobicContact CG-CG2 4.29Å; F78-V133 HydrophobicContact CZ-CG1 4.39Å
79	V	94.8	Very high	91.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-44.8	175.8	169.6	0	0	0	0	111.5	F75 W76 Q81 Y82 F86 P89 L92	F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CE1-CG2 3.62Å; F75-V79 HydrophobicContact CE2-CG2 4.09Å; F75-V79 HydrophobicContact CZ-CG2 3.52Å; F75-V79 WeakPolarHBondContact O-CG2 3.14Å; F75-V79 PolarHBondContact O-N 2.85Å; W76-V79 HydrophobicContact CE3-CB 4.25Å; W76-V79 HydrophobicContact CE3-CG1 4.29Å; W76-V79 HydrophobicContact CE3-CG2 4.33Å; W76-V79 HydrophobicContact CZ3-CG1 4.31Å; W76-V79 PolarHBondContact O-N 2.87Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 2.81Å; V79-Y82 PolarHBondContact O-N 2.83Å; V79-F86 HydrophobicContact CB-CD2 4.23Å; V79-F86 HydrophobicContact CG1-CB 3.87Å; V79-F86 HydrophobicContact CG1-CD2 4.23Å; V79-F86 HydrophobicContact CG1-CG 4.11Å; V79-F86 HydrophobicContact CG2-CD2 4.2Å; V79-F86 HydrophobicContact CG2-CE2 4.32Å; V79-F86 HydrophobicContact CG2-CG 4.41Å; V79-P89 HydrophobicContact CG1-CB 4.15Å; V79-P89 HydrophobicContact CG1-CG 4.33Å; V79-L92 HydrophobicContact CB-CD1 4.49Å; V79-L92 HydrophobicContact CG1-CD1 3.76Å; V79-L92 HydrophobicContact CG2-CD1 3.82Å
80	Q	93	Very high	92.2	Very high	118 Å²	118	43.1 Å²	43.1	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-65.7	-29.4	178.8	-71.4	177.7	-46	0	0	113.8	W76 T77 F78 Y82 L177	W76-Q80 WeakPolarHBondContact O-CG 3.3Å; W76-Q80 PolarHBondContact O-N 2.97Å; W76-Q80 VanDerWaalsContact O-N 3.08Å; T77-Q80 PolarHBondContact O-N 3.48Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 3.37Å; Q80-Y82 VanDerWaalsContact C-N 3.34Å; Q80-L177 HydrophobicContact CG-CD2 3.88Å
81	Q	95	Very high	92.7	Very high	99 Å²	99	43.1 Å²	43.1	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-78	-17.2	178.1	-73	-176	3.2	0	0	113.8	T77 F78 V79 P83 E117	T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 2.93Å; T77-Q81 VanDerWaalsContact O-N 3.12Å; F78-Q81 PolarHBondContact O-N 2.7Å; F78-Q81 VanDerWaalsContact O-N 3.11Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 2.81Å; Q81-P83 VanDerWaalsContact O-CD 3.23Å; Q81-P83 WeakPolarHBondContact O-CD 3.43Å; Q81-E117 PolarHBondContact OE1-O 2.9Å
82	Y	93.6	Very high	93	Very high	67 Å²	67	41.1 Å²	41.1	26%	0.263	21%	0.209	S	C	.	.			trans	-117.9	55.7	-178.7	-69.5	-99.3	0	0	0	112.6	F78 V79 Q80 K84 T85 F86 L114 K115 G116	F78-Y82 AromaticContact CD2-CD2 3.71Å; F78-Y82 HydrophobicContact CD2-CD2 3.71Å; F78-Y82 AromaticContact CD2-CE2 3.51Å; F78-Y82 HydrophobicContact CD2-CE2 3.51Å; F78-Y82 AromaticContact CE2-CD2 3.6Å; F78-Y82 HydrophobicContact CE2-CD2 3.6Å; F78-Y82 AromaticContact CE2-CE2 3.29Å; F78-Y82 HydrophobicContact CE2-CE2 3.29Å; F78-Y82 HydrophobicContact CE2-CG 4.43Å; F78-Y82 AromaticContact CE2-CZ 3.88Å; F78-Y82 HydrophobicContact CG-CD2 4.44Å; F78-Y82 HydrophobicContact CZ-CD2 4.27Å; F78-Y82 HydrophobicContact CZ-CE2 4.28Å; F78-Y82 WeakPolarHBondContact O-CD2 3.34Å; F78-Y82 PolarHBondContact O-N 3.13Å; V79-Y82 PolarHBondContact O-N 2.83Å; Q80-Y82 VanDerWaalsContact C-N 3.34Å; Y82-K84 PolarHBondContact O-N 2.92Å; Y82-K84 VanDerWaalsContact O-N 3.16Å; Y82-T85 PolarHBondContact O-N 3.38Å; Y82-F86 PolarHBondContact O-N 3.43Å; Y82-L114 HydrophobicContact CD1-CD1 4.35Å; Y82-L114 HydrophobicContact CE1-CD1 4.38Å; Y82-K115 PolarHBondContact OH-O 3.27Å; Y82-G116 WeakPolarHBondContact OH-CA 3.34Å
83	P	92.5	Very high	93.4	Very high	82 Å²	82	40.5 Å²	40.5	53%	0.532	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	-173.6	29.4	-37	0	0	0	113.6	Q81 T85 F86 T87	Q81-P83 VanDerWaalsContact O-CD 3.23Å; Q81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-T85 VanDerWaalsContact C-N 3.28Å; P83-F86 CarbonylContact O-C 3.55Å; P83-T87 WeakPolarHBondContact O-CG2 3.25Å; P83-T87 PolarHBondContact O-N 2.93Å
84	K	90.7	Very high	93.7	Very high	171 Å²	171	37.8 Å²	37.8	74%	0.743	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.5	174.3	-66.8	-176	-179.6	178.4	0	113.1	Y82 K109	Y82-K84 PolarHBondContact O-N 2.92Å; Y82-K84 VanDerWaalsContact O-N 3.16Å; K84-K109 WeakPolarHBondContact O-CD 3.39Å; K84-K109 WeakPolarHBondContact O-CE 3.36Å
85	T	92.7	Very high	93.7	Very high	23 Å²	23	39 Å²	39	14%	0.141	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-47.4	177.2	-53.6	0	0	0	0	109.6	Y82 P83 T87 N108 K109 F111 L114	Y82-T85 PolarHBondContact O-N 3.38Å; P83-T85 VanDerWaalsContact C-N 3.28Å; T85-T87 PolarHBondContact O-N 2.83Å; T85-N108 WeakPolarHBondContact O-CA 3.39Å; T85-K109 HydrophobicContact CG2-CB 4.25Å; T85-K109 PolarHBondContact O-N 2.82Å; T85-F111 HydrophobicContact CG2-CD1 3.69Å; T85-F111 HydrophobicContact CG2-CE1 3.59Å; T85-L114 HydrophobicContact CG2-CD2 3.99Å
86	F	93.4	Very high	93.4	Very high	6 Å²	6	39 Å²	39	3%	0.026	20%	0.197	C	C	.	.			trans	-99.3	67	178.3	-54.9	-63.9	0	0	0	111	F78 V79 Y82 P83 D88 L92 N108 F111 L114	F78-F86 HydrophobicContact CD1-CE2 4.07Å; F78-F86 HydrophobicContact CD1-CZ 4.46Å; F78-F86 AromaticContact CE1-CE2 3.75Å; F78-F86 HydrophobicContact CE1-CE2 3.75Å; F78-F86 AromaticContact CE1-CZ 3.92Å; F78-F86 HydrophobicContact CE1-CZ 3.92Å; F78-F86 HydrophobicContact CZ-CE2 4.46Å; V79-F86 HydrophobicContact CB-CD2 4.23Å; V79-F86 HydrophobicContact CG1-CB 3.87Å; V79-F86 HydrophobicContact CG1-CD2 4.23Å; V79-F86 HydrophobicContact CG1-CG 4.11Å; V79-F86 HydrophobicContact CG2-CD2 4.2Å; V79-F86 HydrophobicContact CG2-CE2 4.32Å; V79-F86 HydrophobicContact CG2-CG 4.41Å; Y82-F86 PolarHBondContact O-N 3.43Å; P83-F86 CarbonylContact O-C 3.55Å; F86-D88 VanDerWaalsContact C-N 3.31Å; F86-L92 HydrophobicContact CB-CD1 4.16Å; F86-L92 HydrophobicContact CD1-CD1 3.66Å; F86-L92 HydrophobicContact CD1-CD2 4.01Å; F86-L92 HydrophobicContact CD1-CG 4.48Å; F86-L92 HydrophobicContact CE1-CD1 4.32Å; F86-L92 HydrophobicContact CE1-CD2 4.42Å; F86-L92 HydrophobicContact CG-CD1 4.06Å; F86-N108 WeakPolarHBondContact CA-OD1 3.16Å; F86-F111 HydrophobicContact CE1-CE1 4.09Å; F86-F111 HydrophobicContact CE1-CZ 4.11Å; F86-F111 HydrophobicContact CZ-CE1 4.3Å; F86-F111 HydrophobicContact CZ-CZ 4.13Å; F86-L114 HydrophobicContact CE2-CD2 3.76Å; F86-L114 HydrophobicContact CZ-CD2 3.64Å
87	T	92.3	Very high	93.2	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.411	22%	0.215	S	C	.	.	S	Bend	trans	-68.9	-29.2	-178.6	47.2	0	0	0	0	112.7	P83 T85 E107 N108	P83-T87 WeakPolarHBondContact O-CG2 3.25Å; P83-T87 PolarHBondContact O-N 2.93Å; T85-T87 PolarHBondContact O-N 2.83Å; T87-E107 WeakPolarHBondContact OG1-CB 3.45Å; T87-E107 PolarHBondContact OG1-O 3.49Å; T87-N108 PolarHBondContact N-OD1 2.66Å; T87-N108 PolarHBondContact OG1-N 3.36Å
88	D	93.3	Very high	93.2	Very high	40 Å²	40	43 Å²	43	21%	0.214	22%	0.218	C	C	.	.			trans	-123.1	88.2	173	177.8	17.6	0	0	0	110.9	F86 F90 S91 N108	F86-D88 VanDerWaalsContact C-N 3.31Å; D88-F90 PolarHBondContact O-N 3.21Å; D88-F90 VanDerWaalsContact O-N 3.17Å; D88-F90 PolarHBondContact OD1-N 3.22Å; D88-F90 VanDerWaalsContact OD1-N 3.11Å; D88-S91 PolarHBondContact O-N 2.89Å; D88-S91 VanDerWaalsContact O-N 3.16Å; D88-S91 VanDerWaalsContact OD2-CB 3.25Å; D88-S91 WeakPolarHBondContact OD2-CB 3.42Å; D88-S91 PolarHBondContact OD2-OG 3.05Å; D88-N108 PolarHBondContact N-OD1 3.18Å; D88-N108 PolarHBondContact O-ND2 2.96Å; D88-N108 PolarHBondContact O-OD1 3.44Å
89	P	93.5	Very high	93.2	Very high	31 Å²	31	44.3 Å²	44.3	20%	0.201	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61	-21.6	178.1	-25.3	35.1	0	0	0	114.5	W76 V79 S91 L92 L177	W76-P89 HydrophobicContact CZ3-CB 4.48Å; V79-P89 HydrophobicContact CG1-CB 4.15Å; V79-P89 HydrophobicContact CG1-CG 4.33Å; P89-S91 VanDerWaalsContact C-N 3.27Å; P89-S91 PolarHBondContact O-N 3.19Å; P89-L92 WeakPolarHBondContact O-CB 3.15Å; P89-L92 PolarHBondContact O-N 3.28Å; P89-L177 HydrophobicContact CB-CD1 3.65Å; P89-L177 HydrophobicContact CG-CD1 4.32Å
90	F	94.2	Very high	93.3	Very high	48 Å²	48	44.2 Å²	44.2	21%	0.211	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-78.7	-13.9	-179.6	-61.4	-71.8	0	0	0	112.6	D88 L92 K403 F404 S407	D88-F90 PolarHBondContact O-N 3.21Å; D88-F90 VanDerWaalsContact O-N 3.17Å; D88-F90 PolarHBondContact OD1-N 3.22Å; D88-F90 VanDerWaalsContact OD1-N 3.11Å; F90-L92 PolarHBondContact O-N 2.65Å; F90-K403 HydrophobicContact CB-CB 4.24Å; F90-K403 HydrophobicContact CD1-CB 3.65Å; F90-K403 HydrophobicContact CD1-CD 4Å; F90-K403 HydrophobicContact CD1-CG 4.48Å; F90-K403 HydrophobicContact CD2-CD 4.33Å; F90-K403 HydrophobicContact CE1-CB 4.18Å; F90-K403 HydrophobicContact CE1-CD 3.72Å; F90-K403 HydrophobicContact CE2-CD 4.07Å; F90-K403 HydrophobicContact CG-CB 3.93Å; F90-K403 HydrophobicContact CG-CD 4.3Å; F90-K403 HydrophobicContact CZ-CD 3.76Å; F90-F404 HydrophobicContact CD1-CD2 4.18Å; F90-F404 HydrophobicContact CD1-CE1 4.17Å; F90-F404 AromaticContact CD1-CE2 3.71Å; F90-F404 HydrophobicContact CD1-CE2 3.71Å; F90-F404 AromaticContact CD1-CZ 3.69Å; F90-F404 HydrophobicContact CD1-CZ 3.69Å; F90-F404 HydrophobicContact CE1-CE2 4.14Å; F90-F404 HydrophobicContact CE1-CZ 4.22Å; F90-F404 WeakPolarHBondContact O-CA 3.42Å; F90-F404 WeakPolarHBondContact O-CD1 3.37Å; F90-S407 VanDerWaalsContact O-CB 3.27Å; F90-S407 WeakPolarHBondContact O-CB 3.49Å
91	S	95.9	Very high	93.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-85.2	11.4	169.2	-75.6	0	0	0	0	113.5	D88 P89 V102 N103 S106 F408	D88-S91 PolarHBondContact O-N 2.89Å; D88-S91 VanDerWaalsContact O-N 3.16Å; D88-S91 VanDerWaalsContact OD2-CB 3.25Å; D88-S91 WeakPolarHBondContact OD2-CB 3.42Å; D88-S91 PolarHBondContact OD2-OG 3.05Å; P89-S91 VanDerWaalsContact C-N 3.27Å; P89-S91 PolarHBondContact O-N 3.19Å; S91-V102 WeakPolarHBondContact O-CA 3.45Å; S91-N103 PolarHBondContact O-N 3.14Å; S91-S106 VanDerWaalsContact OG-CB 3.29Å; S91-S106 WeakPolarHBondContact OG-CB 3.3Å; S91-F408 VanDerWaalsContact C-CE2 3.49Å; S91-F408 WeakPolarHBondContact O-CE2 3.28Å; S91-F408 VanDerWaalsContact O-CZ 3.25Å; S91-F408 WeakPolarHBondContact O-CZ 3.47Å
92	L	96.8	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.7	177.6	-50.4	177.7	0	0	0	110.7	W76 V79 F86 P89 F90 L100 L101 V102 F404	W76-L92 HydrophobicContact CH2-CB 4.17Å; V79-L92 HydrophobicContact CB-CD1 4.49Å; V79-L92 HydrophobicContact CG1-CD1 3.76Å; V79-L92 HydrophobicContact CG2-CD1 3.82Å; F86-L92 HydrophobicContact CB-CD1 4.16Å; F86-L92 HydrophobicContact CD1-CD1 3.66Å; F86-L92 HydrophobicContact CD1-CD2 4.01Å; F86-L92 HydrophobicContact CD1-CG 4.48Å; F86-L92 HydrophobicContact CE1-CD1 4.32Å; F86-L92 HydrophobicContact CE1-CD2 4.42Å; F86-L92 HydrophobicContact CG-CD1 4.06Å; P89-L92 WeakPolarHBondContact O-CB 3.15Å; P89-L92 PolarHBondContact O-N 3.28Å; F90-L92 PolarHBondContact O-N 2.65Å; L92-L100 HydrophobicContact CB-CD1 4.14Å; L92-L101 CarbonylContact C-O 3.41Å; L92-L101 WeakPolarHBondContact CA-O 3.24Å; L92-V102 HydrophobicContact CD2-CB 4.19Å; L92-V102 HydrophobicContact CD2-CG1 3.83Å; L92-V102 HydrophobicContact CD2-CG2 3.61Å; L92-F404 WeakPolarHBondContact O-CD1 3.34Å; L92-F404 VanDerWaalsContact O-CE1 3.23Å; L92-F404 WeakPolarHBondContact O-CE1 3.39Å
93	A	95.2	Very high	93.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.2	169.2	0	0	0	0	0	110.7	L100 L101 T167 I168 Q171 F408	A93-L100 CarbonylContact O-C 3.57Å; A93-L100 WeakPolarHBondContact O-CA 3.17Å; A93-L101 HydrophobicContact CB-CB 4.31Å; A93-L101 PolarHBondContact N-O 3.28Å; A93-L101 PolarHBondContact O-N 2.71Å; A93-T167 HydrophobicContact CB-CG2 4.04Å; A93-I168 HydrophobicContact CB-CB 4.46Å; A93-I168 HydrophobicContact CB-CG1 3.81Å; A93-Q171 HydrophobicContact CB-CB 4.27Å; A93-Q171 HydrophobicContact CB-CG 4.21Å; A93-F408 HydrophobicContact CB-CE2 4.12Å; A93-F408 HydrophobicContact CB-CZ 4.11Å
94	Y	94.7	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	-176.7	177.1	-124	0	0	0	110.4	V57 K71 Q72 F75 G96 Q97 I99 L100 Q171	V57-Y94 HydrophobicContact CB-CE2 3.86Å; V57-Y94 HydrophobicContact CG1-CE2 4.05Å; V57-Y94 HydrophobicContact CG2-CD2 4.36Å; V57-Y94 HydrophobicContact CG2-CE2 4.18Å; K71-Y94 HydrophobicContact CB-CE1 4.49Å; Q72-Y94 PolarHBondContact NE2-O 3.31Å; F75-Y94 HydrophobicContact CB-CD1 3.64Å; F75-Y94 HydrophobicContact CB-CE1 3.6Å; F75-Y94 HydrophobicContact CB-CG 4.39Å; F75-Y94 AromaticContact CD1-CD1 3.52Å; F75-Y94 HydrophobicContact CD1-CD1 3.52Å; F75-Y94 HydrophobicContact CD1-CE1 4.35Å; F75-Y94 AromaticContact CD1-CG 3.64Å; F75-Y94 HydrophobicContact CD1-CG 3.64Å; F75-Y94 HydrophobicContact CD2-CD1 4.36Å; F75-Y94 HydrophobicContact CD2-CG 4.31Å; F75-Y94 HydrophobicContact CE1-CD1 4.34Å; F75-Y94 HydrophobicContact CE1-CG 4.01Å; F75-Y94 AromaticContact CG-CD1 3.54Å; F75-Y94 HydrophobicContact CG-CD1 3.54Å; F75-Y94 HydrophobicContact CG-CD2 4.42Å; F75-Y94 AromaticContact CG-CE1 3.92Å; F75-Y94 HydrophobicContact CG-CE1 3.92Å; F75-Y94 AromaticContact CG-CG 3.82Å; F75-Y94 HydrophobicContact CG-CG 3.82Å; Y94-G96 PolarHBondContact O-N 3.05Å; Y94-Q97 PolarHBondContact OH-N 3.21Å; Y94-Q97 PolarHBondContact OH-O 2.9Å; Y94-I99 WeakPolarHBondContact CA-O 3.34Å; Y94-I99 VanDerWaalsContact CD2-O 3.29Å; Y94-I99 WeakPolarHBondContact CD2-O 3.05Å; Y94-L100 HydrophobicContact CD2-CB 4.35Å; Y94-Q171 PolarHBondContact O-OE1 3.02Å
95	D	90.8	Very high	93.5	Very high	24 Å²	24	26 Å²	26	13%	0.128	15%	0.149	C	C	.	.			trans	-71.5	-10.2	-175.1	74.8	-15.4	0	0	0	114.2	K68 Q97 S98 I99 T167	K68-D95 WeakPolarHBondContact CE-O 3.48Å; K68-D95 PolarHBondContact NZ-O 2.77Å; D95-Q97 VanDerWaalsContact C-N 3.35Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.31Å; D95-S98 PolarHBondContact OD1-N 2.65Å; D95-I99 HydrophobicContact CB-CB 4.44Å; D95-I99 PolarHBondContact N-O 3.47Å; D95-I99 PolarHBondContact OD1-N 2.79Å; D95-I99 PolarHBondContact OD2-N 3.16Å; D95-T167 HydrophobicContact CB-CG2 3.96Å
96	G	87.5	Confident	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	86.1	5.6	-177.8	0	0	0	0	0	114.1	K68 K71 Y94	K68-G96 WeakPolarHBondContact CG-O 3.19Å; K71-G96 WeakPolarHBondContact CB-O 3.5Å; K71-G96 WeakPolarHBondContact CD-O 3.37Å; Y94-G96 PolarHBondContact O-N 3.05Å
97	Q	89.6	Confident	93	Very high	79 Å²	79	33.3 Å²	33.3	37%	0.369	18%	0.183	S	C	.	.	S	Bend	trans	-126.3	-62.6	-177	-70.2	-62.8	-5.9	0	0	112.3	K71 Y94 D95	K71-Q97 PolarHBondContact NZ-O 3.3Å; K71-Q97 VanDerWaalsContact NZ-O 3.13Å; Y94-Q97 PolarHBondContact OH-N 3.21Å; Y94-Q97 PolarHBondContact OH-O 2.9Å; D95-Q97 VanDerWaalsContact C-N 3.35Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.31Å
98	S	92.8	Very high	92.9	Very high	44 Å²	44	30.4 Å²	30.4	31%	0.308	17%	0.165	S	C	.	.	S	Bend	trans	-159.9	-7.6	-175.5	63.9	0	0	0	0	114.8	D56 V57 D95	D56-S98 CarbonylContact C-O 3.57Å; D56-S98 WeakPolarHBondContact CA-O 3.45Å; V57-S98 PolarHBondContact N-O 3.27Å; V57-S98 WeakPolarHBondContact O-CA 3.18Å; D95-S98 PolarHBondContact OD1-N 2.65Å
99	I	94.2	Very high	92.7	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.138	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.9	-175.7	-58.6	178.4	0	0	0	109.9	Q54 Y94 D95 L101	Q54-I99 HydrophobicContact CG-CG2 4.13Å; Y94-I99 WeakPolarHBondContact CA-O 3.34Å; Y94-I99 VanDerWaalsContact CD2-O 3.29Å; Y94-I99 WeakPolarHBondContact CD2-O 3.05Å; D95-I99 HydrophobicContact CB-CB 4.44Å; D95-I99 PolarHBondContact N-O 3.47Å; D95-I99 PolarHBondContact OD1-N 2.79Å; D95-I99 PolarHBondContact OD2-N 3.16Å; I99-L101 HydrophobicContact CG2-CD2 3.72Å; I99-L101 HydrophobicContact CG2-CG 4.19Å
100	L	96.7	Very high	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.3	166.6	166.9	66.9	0	0	0	109.9	Q54 Y55 V57 F75 L92 A93 Y94 V102	Q54-L100 WeakPolarHBondContact CA-O 3.34Å; Y55-L100 HydrophobicContact CD2-CD2 4.41Å; Y55-L100 HydrophobicContact CG-CD2 4.4Å; Y55-L100 PolarHBondContact N-O 3.36Å; Y55-L100 PolarHBondContact O-N 3.16Å; V57-L100 HydrophobicContact CG2-CB 3.44Å; V57-L100 VanDerWaalsContact CG2-CB 3.44Å; V57-L100 HydrophobicContact CG2-CD2 4.33Å; F75-L100 HydrophobicContact CE1-CD1 4.18Å; F75-L100 HydrophobicContact CE2-CD1 4.22Å; F75-L100 HydrophobicContact CE2-CD2 3.87Å; F75-L100 HydrophobicContact CE2-CG 4.46Å; F75-L100 HydrophobicContact CZ-CD1 3.49Å; F75-L100 VanDerWaalsContact CZ-CD1 3.49Å; F75-L100 HydrophobicContact CZ-CD2 3.86Å; F75-L100 HydrophobicContact CZ-CG 4.18Å; L92-L100 HydrophobicContact CB-CD1 4.14Å; A93-L100 CarbonylContact O-C 3.57Å; A93-L100 WeakPolarHBondContact O-CA 3.17Å; Y94-L100 HydrophobicContact CD2-CB 4.35Å; L100-V102 HydrophobicContact CD1-CG2 4.21Å; L100-V102 HydrophobicContact CD2-CG2 4.11Å; L100-V102 HydrophobicContact CG-CG2 3.93Å
101	L	96.9	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.5	175.5	-52.3	174.7	0	0	0	108.5	I52 Q54 L92 A93 I99 M164 T167 I168 F408	I52-L101 HydrophobicContact CG2-CB 3.81Å; I52-L101 HydrophobicContact CG2-CD2 4.02Å; I52-L101 HydrophobicContact CG2-CG 4.42Å; Q54-L101 HydrophobicContact CB-CD2 4.37Å; Q54-L101 HydrophobicContact CG-CD2 4.16Å; L92-L101 CarbonylContact C-O 3.41Å; L92-L101 WeakPolarHBondContact CA-O 3.24Å; A93-L101 HydrophobicContact CB-CB 4.31Å; A93-L101 PolarHBondContact N-O 3.28Å; A93-L101 PolarHBondContact O-N 2.71Å; I99-L101 HydrophobicContact CG2-CD2 3.72Å; I99-L101 HydrophobicContact CG2-CG 4.19Å; L101-M164 HydrophobicContact CD1-CB 3.74Å; L101-M164 HydrophobicContact CD1-CG 3.87Å; L101-M164 WeakPolarHBondContact CD1-O 3.45Å; L101-M164 HydrophobicContact CD2-CE 4.07Å; L101-M164 HydrophobicContact CD2-CG 3.79Å; L101-M164 HydrophobicContact CD2-SD 4.24Å; L101-M164 HydrophobicContact CG-CG 4.5Å; L101-T167 HydrophobicContact CD1-CG2 4.13Å; L101-I168 HydrophobicContact CD1-CD1 4.32Å; L101-I168 HydrophobicContact CD1-CG1 4.12Å; L101-F408 HydrophobicContact CB-CE1 4.42Å; L101-F408 HydrophobicContact CB-CZ 4.34Å
102	V	97.2	Very high	92.5	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	179.1	-175.5	0	0	0	0	108.3	I52 R53 Y55 S91 L92 L100 D104 N108	I52-V102 WeakPolarHBondContact CA-O 3.5Å; R53-V102 HydrophobicContact CB-CB 4.29Å; R53-V102 PolarHBondContact N-O 3.48Å; R53-V102 PolarHBondContact O-N 2.91Å; Y55-V102 HydrophobicContact CD2-CG2 3.9Å; Y55-V102 HydrophobicContact CE2-CB 4.45Å; Y55-V102 HydrophobicContact CE2-CG2 3.95Å; S91-V102 WeakPolarHBondContact O-CA 3.45Å; L92-V102 HydrophobicContact CD2-CB 4.19Å; L92-V102 HydrophobicContact CD2-CG1 3.83Å; L92-V102 HydrophobicContact CD2-CG2 3.61Å; L100-V102 HydrophobicContact CD1-CG2 4.21Å; L100-V102 HydrophobicContact CD2-CG2 4.11Å; L100-V102 HydrophobicContact CG-CG2 3.93Å; V102-D104 PolarHBondContact O-N 3.27Å; V102-N108 HydrophobicContact CG1-CB 4.1Å
103	N	95.4	Very high	92.4	Very high	18 Å²	18	46.8 Å²	46.8	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122.1	170	-178.8	6	0	0	0	109.2	V51 R53 S91 S105 S106 S407 F408	V51-N103 PolarHBondContact O-OD1 3.15Å; R53-N103 PolarHBondContact NH2-O 3.43Å; S91-N103 PolarHBondContact O-N 3.14Å; N103-S105 VanDerWaalsContact C-N 3.3Å; N103-S105 PolarHBondContact O-N 3.44Å; N103-S105 PolarHBondContact OD1-N 2.79Å; N103-S105 VanDerWaalsContact OD1-N 3.13Å; N103-S106 WeakPolarHBondContact O-CB 3.41Å; N103-S106 PolarHBondContact O-N 2.81Å; N103-S106 PolarHBondContact O-OG 2.99Å; N103-S407 PolarHBondContact ND2-O 3.26Å; N103-F408 HydrophobicContact CB-CD1 4.14Å; N103-F408 HydrophobicContact CB-CE1 4.16Å
104	D	92.1	Very high	92.4	Very high	55 Å²	55	48 Å²	48	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-36.1	-178	-170.9	63.8	0	0	0	112.3	V51 R53 V102 S106 L140	V51-D104 HydrophobicContact CB-CB 3.73Å; V51-D104 HydrophobicContact CG1-CB 3.73Å; V51-D104 WeakPolarHBondContact O-CB 3.48Å; V51-D104 PolarHBondContact O-N 2.93Å; R53-D104 WeakPolarHBondContact CD-OD1 3.45Å; R53-D104 HydrophobicContact CG-CB 4.16Å; R53-D104 WeakPolarHBondContact CG-OD1 3.32Å; R53-D104 IonicContact CZ-OD1 3.99Å; R53-D104 IonicContact NE-OD1 3.59Å; R53-D104 PolarHBondContact NE-OD1 3.4Å; V102-D104 PolarHBondContact O-N 3.27Å; D104-S106 PolarHBondContact O-N 2.99Å; D104-L140 HydrophobicContact CB-CD2 4.41Å
105	S	87.8	Confident	92.5	Very high	79 Å²	79	54 Å²	54	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	4	178	-51.8	0	0	0	0	114.1	N103	N103-S105 VanDerWaalsContact C-N 3.3Å; N103-S105 PolarHBondContact O-N 3.44Å; N103-S105 PolarHBondContact OD1-N 2.79Å; N103-S105 VanDerWaalsContact OD1-N 3.13Å
106	S	89.3	Confident	92.7	Very high	19 Å²	19	53.2 Å²	53.2	13%	0.133	27%	0.268	C	S	.	.	S	Bend	trans	-80.4	162.7	177.9	69.7	0	0	0	0	112.3	S91 N103 D104 N108	S91-S106 VanDerWaalsContact OG-CB 3.29Å; S91-S106 WeakPolarHBondContact OG-CB 3.3Å; N103-S106 WeakPolarHBondContact O-CB 3.41Å; N103-S106 PolarHBondContact O-N 2.81Å; N103-S106 PolarHBondContact O-OG 2.99Å; D104-S106 PolarHBondContact O-N 2.99Å; S106-N108 PolarHBondContact O-N 3.02Å; S106-N108 VanDerWaalsContact O-N 3.14Å; S106-N108 PolarHBondContact OG-ND2 2.88Å
107	E	86.5	Confident	93	Very high	162 Å²	162	60.3 Å²	60.3	76%	0.757	30%	0.301	S	S	*	.	S	Bend	trans	-70.9	-3.1	176.7	-62.2	-176.5	176.8	0	0	113.6	T87 K109	T87-E107 WeakPolarHBondContact OG1-CB 3.45Å; T87-E107 PolarHBondContact OG1-O 3.49Å; E107-K109 PolarHBondContact O-N 2.8Å
108	N	90.1	Very high	93.1	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.032	28%	0.284	C	S	.	.	S	Bend	trans	-66.2	128.6	179.3	-65.2	-55.2	0	0	0	110.6	R53 T85 F86 T87 D88 V102 S106 E110	R53-N108 PolarHBondContact NH1-O 3.26Å; R53-N108 PolarHBondContact NH2-O 2.78Å; T85-N108 WeakPolarHBondContact O-CA 3.39Å; F86-N108 WeakPolarHBondContact CA-OD1 3.16Å; T87-N108 PolarHBondContact N-OD1 2.66Å; T87-N108 PolarHBondContact OG1-N 3.36Å; D88-N108 PolarHBondContact N-OD1 3.18Å; D88-N108 PolarHBondContact O-ND2 2.96Å; D88-N108 PolarHBondContact O-OD1 3.44Å; V102-N108 HydrophobicContact CG1-CB 4.1Å; S106-N108 PolarHBondContact O-N 3.02Å; S106-N108 VanDerWaalsContact O-N 3.14Å; S106-N108 PolarHBondContact OG-ND2 2.88Å; N108-E110 PolarHBondContact O-N 2.83Å
109	K	88.5	Confident	93	Very high	128 Å²	128	58 Å²	58	56%	0.557	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-64	136.5	-178.1	-68.3	-173.3	180	-179.6	0	111	K84 T85 E107 F111	K84-K109 WeakPolarHBondContact O-CD 3.39Å; K84-K109 WeakPolarHBondContact O-CE 3.36Å; T85-K109 HydrophobicContact CG2-CB 4.25Å; T85-K109 PolarHBondContact O-N 2.82Å; E107-K109 PolarHBondContact O-N 2.8Å; K109-F111 VanDerWaalsContact O-CD1 3.27Å; K109-F111 WeakPolarHBondContact O-CD1 3.33Å
110	E	91.8	Very high	92.5	Very high	101 Å²	101	57.2 Å²	57.2	47%	0.472	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-74.7	143.8	169.5	-160.1	173.3	179	0	0	111	R53 N108 K137	R53-E110 VanDerWaalsContact NH1-CB 3.26Å; N108-E110 PolarHBondContact O-N 2.83Å; E110-K137 WeakPolarHBondContact OE1-CE 3.49Å; E110-K137 IonicContact OE1-NZ 3.49Å; E110-K137 PolarHBondContact OE1-NZ 2.9Å
111	F	93.2	Very high	91.5	Very high	31 Å²	31	63.2 Å²	63.2	14%	0.136	32%	0.317	C	S	.	.			trans	-149.7	153	173.2	49.7	-92.7	0	0	0	109.3	Y55 T85 F86 K109 L114 A135	Y55-F111 HydrophobicContact CD1-CD2 4.21Å; Y55-F111 AromaticContact CD1-CE2 3.56Å; Y55-F111 HydrophobicContact CD1-CE2 3.56Å; Y55-F111 HydrophobicContact CD1-CZ 4.18Å; Y55-F111 AromaticContact CE1-CD2 3.49Å; Y55-F111 HydrophobicContact CE1-CD2 3.49Å; Y55-F111 VanDerWaalsContact CE1-CD2 3.49Å; Y55-F111 AromaticContact CE1-CE2 3.19Å; Y55-F111 HydrophobicContact CE1-CE2 3.19Å; Y55-F111 HydrophobicContact CE1-CG 4.3Å; Y55-F111 AromaticContact CE1-CZ 3.78Å; Y55-F111 HydrophobicContact CE1-CZ 3.78Å; Y55-F111 VanDerWaalsContact CE1-O 3.24Å; Y55-F111 WeakPolarHBondContact CE1-O 3.34Å; Y55-F111 AromaticContact CZ-CE2 3.89Å; Y55-F111 PolarHBondContact OH-N 3.38Å; Y55-F111 PolarHBondContact OH-O 3.48Å; T85-F111 HydrophobicContact CG2-CD1 3.69Å; T85-F111 HydrophobicContact CG2-CE1 3.59Å; F86-F111 HydrophobicContact CE1-CE1 4.09Å; F86-F111 HydrophobicContact CE1-CZ 4.11Å; F86-F111 HydrophobicContact CZ-CE1 4.3Å; F86-F111 HydrophobicContact CZ-CZ 4.13Å; K109-F111 VanDerWaalsContact O-CD1 3.27Å; K109-F111 WeakPolarHBondContact O-CD1 3.33Å; F111-L114 HydrophobicContact CD1-CB 4.34Å; F111-L114 HydrophobicContact CD1-CD2 4.48Å; F111-L114 HydrophobicContact CD2-CB 3.4Å; F111-L114 HydrophobicContact CE1-CB 4.34Å; F111-L114 HydrophobicContact CE1-CD2 4.04Å; F111-L114 HydrophobicContact CE2-CB 3.38Å; F111-L114 HydrophobicContact CE2-CD2 4.31Å; F111-L114 HydrophobicContact CE2-CG 4.49Å; F111-L114 HydrophobicContact CG-CB 3.9Å; F111-L114 HydrophobicContact CZ-CB 3.89Å; F111-L114 HydrophobicContact CZ-CD2 3.94Å; F111-A135 HydrophobicContact CE2-CB 4.02Å
112	E	94.7	Very high	90.5	Very high	119 Å²	119	63.5 Å²	63.5	56%	0.556	32%	0.318	S	S	*	.	S	Bend	trans	-81.5	-44.7	172.6	-70.9	-59.1	136.2	0	0	111	R136 K137	E112-R136 WeakPolarHBondContact O-CA 3.15Å; E112-K137 PolarHBondContact O-N 3.14Å; E112-K137 WeakPolarHBondContact OE1-CD 3.35Å; E112-K137 IonicContact OE1-NZ 2.59Å; E112-K137 PolarHBondContact OE1-NZ 2.88Å
113	I	95.3	Very high	89.1	Confident	87 Å²	87	64.3 Å²	64.3	45%	0.446	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131	174.6	-58.7	172.6	0	0	0	108	E134 A135 R136	I113-E134 HydrophobicContact CG2-CG 4.1Å; I113-A135 WeakPolarHBondContact CA-O 3.42Å; I113-R136 HydrophobicContact CG1-CG 4.16Å
114	L	95.5	Very high	87.8	Confident	26 Å²	26	67.2 Å²	67.2	14%	0.136	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.2	167.5	-175.7	73.1	0	0	0	108.7	F78 Y82 T85 F86 F111 E134 A135	F78-L114 HydrophobicContact CE1-CD2 3.88Å; F78-L114 HydrophobicContact CZ-CD2 3.54Å; F78-L114 HydrophobicContact CZ-CG 3.78Å; Y82-L114 HydrophobicContact CD1-CD1 4.35Å; Y82-L114 HydrophobicContact CE1-CD1 4.38Å; T85-L114 HydrophobicContact CG2-CD2 3.99Å; F86-L114 HydrophobicContact CE2-CD2 3.76Å; F86-L114 HydrophobicContact CZ-CD2 3.64Å; F111-L114 HydrophobicContact CD1-CB 4.34Å; F111-L114 HydrophobicContact CD1-CD2 4.48Å; F111-L114 HydrophobicContact CD2-CB 3.4Å; F111-L114 HydrophobicContact CE1-CB 4.34Å; F111-L114 HydrophobicContact CE1-CD2 4.04Å; F111-L114 HydrophobicContact CE2-CB 3.38Å; F111-L114 HydrophobicContact CE2-CD2 4.31Å; F111-L114 HydrophobicContact CE2-CG 4.49Å; F111-L114 HydrophobicContact CG-CB 3.9Å; F111-L114 HydrophobicContact CZ-CB 3.89Å; F111-L114 HydrophobicContact CZ-CD2 3.94Å; L114-E134 WeakPolarHBondContact O-CA 3.45Å; L114-A135 PolarHBondContact N-O 3.38Å; L114-A135 PolarHBondContact O-N 3.11Å
115	K	96	Very high	86.6	Confident	126 Å²	126	65.2 Å²	65.2	55%	0.548	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.7	-179.3	-171.9	176.6	-178.3	177.1	0	109.6	Y82 T132 V133 E134	Y82-K115 PolarHBondContact OH-O 3.27Å; K115-T132 HydrophobicContact CD-CG2 4.24Å; K115-T132 HydrophobicContact CG-CG2 3.95Å; K115-V133 WeakPolarHBondContact CA-O 3.2Å; K115-E134 HydrophobicContact CG-CB 4.45Å
116	G	94.7	Very high	85.5	Confident	7 Å²	7	66.4 Å²	66.4	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	168	172.4	0	0	0	0	0	112.4	Y82 T132 V133	Y82-G116 WeakPolarHBondContact OH-CA 3.34Å; G116-T132 WeakPolarHBondContact O-CA 3.4Å; G116-V133 PolarHBondContact N-O 2.94Å; G116-V133 PolarHBondContact O-N 2.82Å
117	E	94.1	Very high	84.6	Confident	149 Å²	149	72.4 Å²	72.4	70%	0.696	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	128.6	175.9	-65	-172.8	168.8	0	0	108.8	Q81 L131	Q81-E117 PolarHBondContact OE1-O 2.9Å; E117-L131 CarbonylContact C-O 3.55Å; E117-L131 WeakPolarHBondContact CA-O 3.31Å
118	V	93	Very high	84.1	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.8	175.1	-64.4	0	0	0	0	109.7	A74 T77 F78 V120 G130 L131 V133	A74-V118 HydrophobicContact CB-CG2 4.18Å; T77-V118 HydrophobicContact CG2-CB 4.27Å; T77-V118 HydrophobicContact CG2-CG1 4.35Å; F78-V118 VanDerWaalsContact CA-CG1 3.48Å; F78-V118 HydrophobicContact CB-CG1 3.57Å; F78-V118 HydrophobicContact CD2-CG1 4.11Å; F78-V118 HydrophobicContact CG-CG1 4.36Å; V118-V120 HydrophobicContact CG2-CG1 4.44Å; V118-G130 CarbonylContact O-C 3.53Å; V118-G130 WeakPolarHBondContact O-CA 3.32Å; V118-L131 HydrophobicContact CG2-CB 3.99Å; V118-L131 PolarHBondContact N-O 3.38Å; V118-L131 PolarHBondContact O-N 2.81Å; V118-V133 HydrophobicContact CG2-CG2 3.89Å
119	C	89.3	Confident	83.8	Confident	72 Å²	72	68 Å²	68	49%	0.486	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.4	174.5	-153.3	0	0	0	0	107.9	P128	C119-P128 WeakPolarHBondContact SG-CB 3.42Å
120	V	84.3	Confident	83.8	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.6	-178.5	-66.4	0	0	0	0	111.7	A74 T77 V118 M122 V129 L131	A74-V120 HydrophobicContact CB-CG1 4.45Å; A74-V120 HydrophobicContact CB-CG2 4.16Å; T77-V120 HydrophobicContact CG2-CG1 4.09Å; T77-V120 WeakPolarHBondContact OG1-CG1 3.39Å; V118-V120 HydrophobicContact CG2-CG1 4.44Å; V120-M122 PolarHBondContact O-N 3.04Å; V120-V129 PolarHBondContact N-O 2.83Å; V120-V129 PolarHBondContact O-N 3.35Å; V120-L131 HydrophobicContact CG2-CD1 3.62Å; V120-L131 HydrophobicContact CG2-CG 4.33Å
121	H	76.5	Confident	83.8	Confident	127 Å²	127	59.5 Å²	59.5	59%	0.588	30%	0.304	S	S	*	.			trans	-79.6	114.1	167.7	-69.5	-83.5	0	0	0	108.8	P128	H121-P128 VanDerWaalsContact CE1-CG 3.49Å; H121-P128 WeakPolarHBondContact CE1-CG 3.48Å
122	M	75.4	Confident	83.9	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.025	31%	0.306	C	S	.	.			trans	-84.4	161.3	177.1	-57.9	178.1	174	0	0	111.2	L66 D70 V120 H124 T125 V129 L131 L293	L66-M122 HydrophobicContact CD2-CE 3.31Å; L66-M122 HydrophobicContact CD2-SD 3.74Å; D70-M122 VanDerWaalsContact OD1-CA 3.28Å; D70-M122 WeakPolarHBondContact OD1-CA 3.48Å; D70-M122 WeakPolarHBondContact OD1-CB 3.4Å; V120-M122 PolarHBondContact O-N 3.04Å; M122-H124 PolarHBondContact O-N 3.35Å; M122-H124 VanDerWaalsContact O-N 3.12Å; M122-T125 HydrophobicContact CB-CG2 4.24Å; M122-T125 WeakPolarHBondContact CB-OG1 3.36Å; M122-T125 HydrophobicContact SD-CG2 4.05Å; M122-V129 HydrophobicContact CE-CB 3.53Å; M122-V129 HydrophobicContact CE-CG1 3.39Å; M122-V129 HydrophobicContact CE-CG2 4.15Å; M122-V129 HydrophobicContact CG-CB 4.34Å; M122-V129 HydrophobicContact CG-CG2 4.36Å; M122-V129 HydrophobicContact SD-CB 3.97Å; M122-V129 HydrophobicContact SD-CG1 4.15Å; M122-V129 HydrophobicContact SD-CG2 3.91Å; M122-L131 HydrophobicContact CE-CD1 3.41Å; M122-L131 VanDerWaalsContact CE-CD1 3.41Å; M122-L131 HydrophobicContact CE-CD2 3.32Å; M122-L131 HydrophobicContact CE-CG 3.46Å; M122-L131 VanDerWaalsContact CE-CG 3.46Å; M122-L293 WeakPolarHBondContact O-CD2 3.41Å
123	L	67.8	Low	84	Confident	22 Å²	22	53.8 Å²	53.8	12%	0.115	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.5	176.4	-75.2	171.1	0	0	0	114.5	E69 D70 L293 Q294	E69-L123 HydrophobicContact CB-CD1 3.86Å; E69-L123 HydrophobicContact CG-CD1 4.13Å; D70-L123 PolarHBondContact OD1-N 3.28Å; L123-L293 WeakPolarHBondContact O-CA 3.37Å; L123-L293 WeakPolarHBondContact O-CD2 3.48Å; L123-Q294 HydrophobicContact CD2-CG 4.45Å; L123-Q294 PolarHBondContact O-N 2.77Å
124	H	68.4	Low	84.1	Confident	78 Å²	78	51.9 Å²	51.9	36%	0.361	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	7.2	-174.6	-51.8	-55.7	0	0	0	114.8	M122 L293 Q294	M122-H124 PolarHBondContact O-N 3.35Å; M122-H124 VanDerWaalsContact O-N 3.12Å; H124-L293 VanDerWaalsContact C-CD2 3.49Å; H124-Q294 PolarHBondContact CE1-O 2.93Å; H124-Q294 PolarHBondContact ND1-O 3.04Å
125	T	67.3	Low	84.1	Confident	14 Å²	14	50.7 Å²	50.7	9%	0.086	26%	0.263	C	S	.	.			trans	-123.9	133.3	-177.9	66.2	0	0	0	0	115.1	T64 M122 Y127 V129 L293	T64-T125 HydrophobicContact CG2-CG2 4.03Å; M122-T125 HydrophobicContact CB-CG2 4.24Å; M122-T125 WeakPolarHBondContact CB-OG1 3.36Å; M122-T125 HydrophobicContact SD-CG2 4.05Å; T125-Y127 VanDerWaalsContact C-N 3.3Å; T125-Y127 PolarHBondContact O-N 2.85Å; T125-Y127 PolarHBondContact OG1-O 3.43Å; T125-V129 HydrophobicContact CG2-CG2 3.81Å; T125-V129 VanDerWaalsContact OG1-CG2 3.29Å; T125-V129 WeakPolarHBondContact OG1-CG2 3.43Å; T125-L293 VanDerWaalsContact C-CD1 3.49Å; T125-L293 WeakPolarHBondContact O-CD2 3.39Å
126	H	64.4	Low	84.2	Confident	104 Å²	104	50.5 Å²	50.5	48%	0.481	26%	0.258	S	S	.	.	S	Bend	trans	-74.4	-15.2	-178.1	-73.8	-62.4	0	0	0	115.3	R289 L293 Y295	H126-R289 PolarHBondContact CE1-NH1 3.49Å; H126-R289 PolarHBondContact NE2-NH1 2.75Å; H126-L293 HydrophobicContact CB-CD1 4.31Å; H126-L293 WeakPolarHBondContact CE1-CD1 3.47Å; H126-L293 WeakPolarHBondContact ND1-CD1 3.41Å; H126-Y295 PolarHBondContact CE1-OH 2.85Å; H126-Y295 PolarHBondContact NE2-OH 2.75Å
127	Y	69.5	Low	84.3	Confident	144 Å²	144	52.3 Å²	52.3	57%	0.565	26%	0.264	S	S	*	.	S	Bend	trans	-119.8	152	179.8	53.5	-87	0	0	0	109.3	T125 V129	T125-Y127 VanDerWaalsContact C-N 3.3Å; T125-Y127 PolarHBondContact O-N 2.85Å; T125-Y127 PolarHBondContact OG1-O 3.43Å; Y127-V129 HydrophobicContact CD2-CG2 4.13Å; Y127-V129 HydrophobicContact CE2-CG2 3.86Å; Y127-V129 PolarHBondContact O-N 3.45Å
128	P	77	Confident	84.3	Confident	62 Å²	62	49.5 Å²	49.5	40%	0.403	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-53	124.9	166.7	-21.4	30	0	0	0	109.9	C119 H121	C119-P128 WeakPolarHBondContact SG-CB 3.42Å; H121-P128 VanDerWaalsContact CE1-CG 3.49Å; H121-P128 WeakPolarHBondContact CE1-CG 3.48Å
129	V	82.7	Confident	84.2	Confident	13 Å²	13	50.7 Å²	50.7	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.3	179.4	177.7	0	0	0	0	108.7	V120 M122 T125 Y127 L131	V120-V129 PolarHBondContact N-O 2.83Å; V120-V129 PolarHBondContact O-N 3.35Å; M122-V129 HydrophobicContact CE-CB 3.53Å; M122-V129 HydrophobicContact CE-CG1 3.39Å; M122-V129 HydrophobicContact CE-CG2 4.15Å; M122-V129 HydrophobicContact CG-CB 4.34Å; M122-V129 HydrophobicContact CG-CG2 4.36Å; M122-V129 HydrophobicContact SD-CB 3.97Å; M122-V129 HydrophobicContact SD-CG1 4.15Å; M122-V129 HydrophobicContact SD-CG2 3.91Å; T125-V129 HydrophobicContact CG2-CG2 3.81Å; T125-V129 VanDerWaalsContact OG1-CG2 3.29Å; T125-V129 WeakPolarHBondContact OG1-CG2 3.43Å; Y127-V129 HydrophobicContact CD2-CG2 4.13Å; Y127-V129 HydrophobicContact CE2-CG2 3.86Å; Y127-V129 PolarHBondContact O-N 3.45Å; V129-L131 HydrophobicContact CG1-CD2 4.2Å; V129-L131 HydrophobicContact CG1-CG 4.46Å; V129-L131 PolarHBondContact O-N 2.85Å
130	G	88.7	Confident	84.3	Confident	51 Å²	51	51.8 Å²	51.8	53%	0.526	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	118.3	169	0	0	0	0	0	110.2	V118	V118-G130 CarbonylContact O-C 3.53Å; V118-G130 WeakPolarHBondContact O-CA 3.32Å
131	L	92.3	Very high	84.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.1	175.9	-70.1	-178.1	0	0	0	109.8	I59 L66 A74 E117 V118 V120 M122 V129	I59-L131 HydrophobicContact CG2-CB 4.2Å; I59-L131 HydrophobicContact CG2-CD1 3.88Å; I59-L131 HydrophobicContact CG2-CG 4.47Å; L66-L131 HydrophobicContact CD1-CD1 4.25Å; L66-L131 HydrophobicContact CD1-CD2 4.14Å; L66-L131 HydrophobicContact CD2-CD1 4.39Å; L66-L131 HydrophobicContact CD2-CD2 4.18Å; A74-L131 HydrophobicContact CB-CD1 3.66Å; E117-L131 CarbonylContact C-O 3.55Å; E117-L131 WeakPolarHBondContact CA-O 3.31Å; V118-L131 HydrophobicContact CG2-CB 3.99Å; V118-L131 PolarHBondContact N-O 3.38Å; V118-L131 PolarHBondContact O-N 2.81Å; V120-L131 HydrophobicContact CG2-CD1 3.62Å; V120-L131 HydrophobicContact CG2-CG 4.33Å; M122-L131 HydrophobicContact CE-CD1 3.41Å; M122-L131 VanDerWaalsContact CE-CD1 3.41Å; M122-L131 HydrophobicContact CE-CD2 3.32Å; M122-L131 HydrophobicContact CE-CG 3.46Å; M122-L131 VanDerWaalsContact CE-CG 3.46Å; V129-L131 HydrophobicContact CG1-CD2 4.2Å; V129-L131 HydrophobicContact CG1-CG 4.46Å; V129-L131 PolarHBondContact O-N 2.85Å
132	T	94.9	Very high	85.1	Confident	31 Å²	31	50.4 Å²	50.4	19%	0.19	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.5	169.5	-52.2	0	0	0	0	108.6	I59 T60 K115 G116	I59-T132 WeakPolarHBondContact CA-O 3.31Å; T60-T132 PolarHBondContact N-O 3.38Å; T60-T132 PolarHBondContact O-N 3.06Å; K115-T132 HydrophobicContact CD-CG2 4.24Å; K115-T132 HydrophobicContact CG-CG2 3.95Å; G116-T132 WeakPolarHBondContact O-CA 3.4Å
133	V	96.6	Very high	85.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.3	170.9	-177.2	0	0	0	0	107.6	V57 I59 F78 K115 G116 V118	V57-V133 HydrophobicContact CG1-CG1 4.07Å; I59-V133 HydrophobicContact CD1-CG2 4.38Å; I59-V133 HydrophobicContact CG1-CG1 4.33Å; I59-V133 HydrophobicContact CG1-CG2 4.19Å; I59-V133 HydrophobicContact CG2-CG2 4.28Å; F78-V133 HydrophobicContact CB-CB 4.33Å; F78-V133 HydrophobicContact CB-CG1 4.38Å; F78-V133 HydrophobicContact CB-CG2 4.09Å; F78-V133 HydrophobicContact CD1-CB 4.3Å; F78-V133 HydrophobicContact CD1-CG1 3.76Å; F78-V133 HydrophobicContact CD2-CB 4.02Å; F78-V133 HydrophobicContact CD2-CG1 4.38Å; F78-V133 HydrophobicContact CE1-CG1 4Å; F78-V133 HydrophobicContact CE2-CB 4.35Å; F78-V133 HydrophobicContact CG-CB 3.97Å; F78-V133 HydrophobicContact CG-CG1 3.93Å; F78-V133 HydrophobicContact CG-CG2 4.29Å; F78-V133 HydrophobicContact CZ-CG1 4.39Å; K115-V133 WeakPolarHBondContact CA-O 3.2Å; G116-V133 PolarHBondContact N-O 2.94Å; G116-V133 PolarHBondContact O-N 2.82Å; V118-V133 HydrophobicContact CG2-CG2 3.89Å
134	E	97.3	Very high	86.2	Confident	47 Å²	47	56.5 Å²	56.5	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.3	171.7	-177.1	178.8	150.4	0	0	108.6	V57 K58 I113 L114 K115 R136	V57-E134 CarbonylContact C-O 3.46Å; V57-E134 WeakPolarHBondContact CA-O 3.22Å; K58-E134 PolarHBondContact N-O 2.88Å; K58-E134 PolarHBondContact O-N 2.55Å; I113-E134 HydrophobicContact CG2-CG 4.1Å; L114-E134 WeakPolarHBondContact O-CA 3.45Å; K115-E134 HydrophobicContact CG-CB 4.45Å; E134-R136 IonicContact OE1-CZ 2.92Å; E134-R136 IonicContact OE1-NE 2.79Å; E134-R136 IonicContact OE1-NH2 2.65Å; E134-R136 PolarHBondContact OE1-NH2 3.27Å
135	A	96.9	Very high	86.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.3	172.4	0	0	0	0	0	109	Y55 D56 V57 F111 I113 L114	Y55-A135 HydrophobicContact CD1-CB 4.42Å; D56-A135 CarbonylContact O-C 3.5Å; D56-A135 WeakPolarHBondContact O-CA 3.45Å; V57-A135 HydrophobicContact CG2-CB 4.25Å; F111-A135 HydrophobicContact CE2-CB 4.02Å; I113-A135 WeakPolarHBondContact CA-O 3.42Å; L114-A135 PolarHBondContact N-O 3.38Å; L114-A135 PolarHBondContact O-N 3.11Å
136	R	97.9	Very high	86.6	Confident	122 Å²	122	62.3 Å²	62.3	46%	0.46	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.8	-179.9	179.8	179.8	-58.9	-116.6	-2.9	110.2	Y55 D56 E112 I113 E134 V138	Y55-R136 CarbonylContact C-O 3.18Å; Y55-R136 WeakPolarHBondContact CA-O 3.16Å; D56-R136 PolarHBondContact N-O 2.98Å; D56-R136 PolarHBondContact O-N 2.89Å; E112-R136 WeakPolarHBondContact O-CA 3.15Å; I113-R136 HydrophobicContact CG1-CG 4.16Å; E134-R136 IonicContact OE1-CZ 2.92Å; E134-R136 IonicContact OE1-NE 2.79Å; E134-R136 IonicContact OE1-NH2 2.65Å; E134-R136 PolarHBondContact OE1-NH2 3.27Å; R136-V138 PolarHBondContact O-N 3.47Å
137	K	96.4	Very high	86	Confident	45 Å²	45	60 Å²	60	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.1	177.8	-171.6	175.5	157.6	-159.7	0	109.9	Y55 E110 E112	Y55-K137 VanDerWaalsContact CD1-CA 3.5Å; Y55-K137 HydrophobicContact CD1-CB 4Å; Y55-K137 HydrophobicContact CE1-CB 3.59Å; Y55-K137 HydrophobicContact CE1-CG 4.15Å; E110-K137 WeakPolarHBondContact OE1-CE 3.49Å; E110-K137 IonicContact OE1-NZ 3.49Å; E110-K137 PolarHBondContact OE1-NZ 2.9Å; E112-K137 PolarHBondContact O-N 3.14Å; E112-K137 WeakPolarHBondContact OE1-CD 3.35Å; E112-K137 IonicContact OE1-NZ 2.59Å; E112-K137 PolarHBondContact OE1-NZ 2.88Å
138	V	93.8	Very high	85	Confident	91 Å²	91	62.5 Å²	62.5	55%	0.552	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	-43	178.8	178	0	0	0	0	110.2	Q54 D56 R136	Q54-V138 HydrophobicContact CG-CB 4.4Å; Q54-V138 PolarHBondContact O-N 3.42Å; D56-V138 HydrophobicContact CB-CG2 3.7Å; R136-V138 PolarHBondContact O-N 3.47Å
139	G	91	Very high	83.5	Confident	27 Å²	27	64.5 Å²	64.5	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-169.3	-179.4	0	0	0	0	0	113.7	Q54	Q54-G139 PolarHBondContact N-O 2.92Å; Q54-G139 PolarHBondContact O-N 3.1Å
140	L	91.9	Very high	81.9	Confident	95 Å²	95	73.1 Å²	73.1	50%	0.497	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.5	-179.7	-74.8	138.9	0	0	0	109.6	V51 I52 R53 D104	V51-L140 HydrophobicContact CG1-CB 4.48Å; V51-L140 HydrophobicContact CG1-CD2 3.52Å; I52-L140 CarbonylContact O-C 3.57Å; I52-L140 WeakPolarHBondContact O-CA 3.2Å; R53-L140 HydrophobicContact CB-CD2 4.48Å; R53-L140 HydrophobicContact CG-CD2 3.44Å; R53-L140 VanDerWaalsContact CG-CD2 3.44Å; R53-L140 HydrophobicContact CG-CG 4.21Å; D104-L140 HydrophobicContact CB-CD2 4.41Å
141	T	89.8	Confident	80.1	Confident	20 Å²	20	76.7 Å²	76.7	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127	174.1	-60	0	0	0	0	109.4	I52 L143 M164	I52-T141 PolarHBondContact N-O 2.97Å; I52-T141 PolarHBondContact O-N 3.01Å; T141-L143 HydrophobicContact CG2-CD2 4.41Å; T141-M164 HydrophobicContact CG2-CE 4.14Å; T141-M164 HydrophobicContact CG2-SD 3.91Å; T141-M164 VanDerWaalsContact OG1-CE 3.31Å; T141-M164 WeakPolarHBondContact OG1-CE 3.46Å
142	K	88.1	Confident	78.4	Confident	88 Å²	88	82.2 Å²	82.2	38%	0.383	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.9	177.7	176.5	174	168.8	171.8	0	110	E49 V51 K144	E49-K142 WeakPolarHBondContact OE1-CE 3.47Å; E49-K142 IonicContact OE1-NZ 3.34Å; E49-K142 PolarHBondContact OE1-NZ 3.31Å; E49-K142 WeakPolarHBondContact OE2-CE 3.37Å; E49-K142 IonicContact OE2-NZ 2.62Å; E49-K142 PolarHBondContact OE2-NZ 2.94Å; V51-K142 HydrophobicContact CG2-CG 4.43Å; K142-K144 HydrophobicContact CG-CG 4.31Å
143	L	86.1	Confident	76.8	Confident	14 Å²	14	84.5 Å²	84.5	7%	0.073	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.1	176.4	-60.5	-173.7	0	0	0	110.3	I50 I52 T141 F145 L165	I50-L143 HydrophobicContact CB-CB 4.24Å; I50-L143 HydrophobicContact CG2-CB 4.23Å; I50-L143 HydrophobicContact CG2-CD1 4.12Å; I50-L143 HydrophobicContact CG2-CG 4.38Å; I50-L143 PolarHBondContact O-N 3.05Å; I52-L143 HydrophobicContact CD1-CD1 3.45Å; I52-L143 VanDerWaalsContact CD1-CD1 3.45Å; I52-L143 HydrophobicContact CD1-CG 3.85Å; I52-L143 HydrophobicContact CG1-CD1 4.45Å; T141-L143 HydrophobicContact CG2-CD2 4.41Å; L143-F145 HydrophobicContact CB-CD2 4.43Å; L143-F145 HydrophobicContact CB-CE2 4.02Å; L143-F145 HydrophobicContact CD1-CE2 4.48Å; L143-L165 HydrophobicContact CD1-CD2 3.94Å
144	K	79.7	Confident	75.4	Confident	141 Å²	141	88.8 Å²	88.8	61%	0.613	45%	0.447	S	S	*	.			trans	-100.2	116.6	176	-62.9	-177.1	-178.9	179.8	0	109.7	K142	K142-K144 HydrophobicContact CG-CG 4.31Å
145	F	77.2	Confident	74.1	Confident	30 Å²	30	90.7 Å²	90.7	13%	0.132	47%	0.47	C	S	.	.	S	Bend	trans	-87.4	-5.9	-175.4	-86.8	-113.6	0	0	0	114.5	L42 K44 I50 L143 P222 I410	L42-F145 HydrophobicContact CB-CE1 4.32Å; L42-F145 HydrophobicContact CD2-CE1 3.69Å; L42-F145 HydrophobicContact CD2-CZ 3.64Å; L42-F145 HydrophobicContact CG-CE1 3.78Å; L42-F145 HydrophobicContact CG-CZ 4.12Å; K44-F145 HydrophobicContact CB-CB 4.14Å; K44-F145 HydrophobicContact CB-CD1 3.85Å; K44-F145 HydrophobicContact CB-CD2 4.36Å; K44-F145 HydrophobicContact CB-CE1 4.36Å; K44-F145 HydrophobicContact CB-CG 3.85Å; K44-F145 HydrophobicContact CD-CB 4.47Å; I50-F145 HydrophobicContact CD1-CD2 4.32Å; I50-F145 HydrophobicContact CD1-CE2 3.83Å; I50-F145 HydrophobicContact CD1-CZ 4.41Å; L143-F145 HydrophobicContact CB-CD2 4.43Å; L143-F145 HydrophobicContact CB-CE2 4.02Å; L143-F145 HydrophobicContact CD1-CE2 4.48Å; F145-P222 HydrophobicContact CD1-CG 3.65Å; F145-P222 HydrophobicContact CE1-CB 4.45Å; F145-P222 HydrophobicContact CE1-CG 4Å; F145-P222 HydrophobicContact CG-CG 4.35Å; F145-I410 HydrophobicContact CE1-CG2 4.31Å; F145-I410 HydrophobicContact CE2-CG2 4.17Å; F145-I410 HydrophobicContact CZ-CG2 3.54Å
146	K	66	Low	73	Confident	184 Å²	184	98 Å²	98	80%	0.8	50%	0.504	S	S	*	.			trans	-148.8	140.5	172.4	-69.3	-173.6	178.2	179.4	0	107.6
147	N	52.4	Low	71.9	Confident	54 Å²	54	93.9 Å²	93.9	29%	0.289	50%	0.497	S	S	.	.			trans	-103.5	117.3	165.3	-128.6	9	0	0	0	106.3	L149 Q151	N147-L149 WeakPolarHBondContact CB-O 3.18Å; N147-L149 PolarHBondContact ND2-O 3.43Å; N147-L149 VanDerWaalsContact ND2-O 3.13Å; N147-L149 PolarHBondContact O-N 3.34Å; N147-Q151 PolarHBondContact ND2-O 3.39Å
148	E	49.3	Very low	71	Confident	198 Å²	198	92.7 Å²	92.7	93%	0.925	50%	0.495	S	S	*	.	S	Bend	trans	-69.4	-14.1	170.8	-71.7	-177	167	0	0	111.6
149	L	45.1	Very low	70.5	Confident	104 Å²	104	94.1 Å²	94.1	55%	0.545	50%	0.496	S	S	.	.	S	Bend	trans	-119.5	134	169.7	-79.2	87	0	0	0	108.6	N147 Q151	N147-L149 WeakPolarHBondContact CB-O 3.18Å; N147-L149 PolarHBondContact ND2-O 3.43Å; N147-L149 VanDerWaalsContact ND2-O 3.13Å; N147-L149 PolarHBondContact O-N 3.34Å; L149-Q151 HydrophobicContact CB-CG 4.06Å; L149-Q151 PolarHBondContact O-N 3.36Å
150	H	47.6	Very low	70.2	Confident	193 Å²	193	98.6 Å²	98.6	89%	0.894	50%	0.504	S	S	*	.			trans	-60.2	33	168.5	-71.4	-70.4	0	0	0	114.2	S152	H150-S152 PolarHBondContact O-N 3.4Å
151	Q	51.1	Low	69.9	Low	126 Å²	126	94.9 Å²	94.9	59%	0.589	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-66.6	126.4	171.7	-73.3	179.7	0.3	0	0	109	N147 L149 L153	N147-Q151 PolarHBondContact ND2-O 3.39Å; L149-Q151 HydrophobicContact CB-CG 4.06Å; L149-Q151 PolarHBondContact O-N 3.36Å; Q151-L153 PolarHBondContact O-N 3.49Å
152	S	57.4	Low	69.9	Low	116 Å²	116	95.2 Å²	95.2	81%	0.811	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59.3	128.7	172.2	52.9	0	0	0	0	109.5	H150	H150-S152 PolarHBondContact O-N 3.4Å
153	L	61.8	Low	70	Confident	80 Å²	80	95.1 Å²	95.1	42%	0.419	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-77.1	132.7	168.9	-144.8	90.3	0	0	0	107.5	Q151 A155 A157 A158	Q151-L153 PolarHBondContact O-N 3.49Å; L153-A155 PolarHBondContact O-N 3.46Å; L153-A157 HydrophobicContact CD2-CB 4.21Å; L153-A158 HydrophobicContact CD2-CB 4.01Å
154	P	67.3	Low	70.3	Confident	90 Å²	90	94.7 Å²	94.7	58%	0.584	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-55.3	137.4	172.5	-25.2	34	0	0	0	111	E156 A157 A158	P154-E156 VanDerWaalsContact C-N 3.27Å; P154-E156 PolarHBondContact O-N 3.14Å; P154-A157 HydrophobicContact CB-CB 4.41Å; P154-A157 WeakPolarHBondContact O-CB 3.32Å; P154-A157 PolarHBondContact O-N 2.59Å; P154-A158 PolarHBondContact O-N 3.11Å; P154-A158 VanDerWaalsContact O-N 3.08Å
155	A	69.5	Low	71	Confident	86 Å²	86	88.5 Å²	88.5	71%	0.711	46%	0.459	S	S	*	.	H	α-helix	trans	-55.5	-39.4	-174.1	0	0	0	0	0	113.1	L153 A157 A158 Q159	L153-A155 PolarHBondContact O-N 3.46Å; A155-A157 PolarHBondContact O-N 3.02Å; A155-A158 WeakPolarHBondContact O-CB 3.45Å; A155-A158 PolarHBondContact O-N 3.21Å; A155-Q159 WeakPolarHBondContact O-CB 3.03Å; A155-Q159 PolarHBondContact O-N 3.09Å
156	E	72.6	Confident	71.7	Confident	153 Å²	153	89 Å²	89	72%	0.715	46%	0.463	S	S	*	.	H	α-helix	trans	-63.8	-39.9	176.9	-64.9	-174.4	176.3	0	0	113	P154 A158 Q159 R160	P154-E156 VanDerWaalsContact C-N 3.27Å; P154-E156 PolarHBondContact O-N 3.14Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-Q159 PolarHBondContact O-N 3.32Å; E156-R160 WeakPolarHBondContact O-CB 3.41Å; E156-R160 PolarHBondContact O-N 2.72Å
157	A	75.4	Confident	73	Confident	37 Å²	37	81.1 Å²	81.1	31%	0.306	43%	0.43	S	S	.	.	H	α-helix	trans	-68.2	-37.5	178	0	0	0	0	0	111.1	L153 P154 A155 S161	L153-A157 HydrophobicContact CD2-CB 4.21Å; P154-A157 HydrophobicContact CB-CB 4.41Å; P154-A157 WeakPolarHBondContact O-CB 3.32Å; P154-A157 PolarHBondContact O-N 2.59Å; A155-A157 PolarHBondContact O-N 3.02Å; A157-S161 WeakPolarHBondContact O-CB 3.38Å; A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 PolarHBondContact O-OG 2.67Å
158	A	77.7	Confident	74.9	Confident	19 Å²	19	78.6 Å²	78.6	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-48.3	173.7	0	0	0	0	0	110.9	L153 P154 A155 E156 R160 S161 I162 I216	L153-A158 HydrophobicContact CD2-CB 4.01Å; P154-A158 PolarHBondContact O-N 3.11Å; P154-A158 VanDerWaalsContact O-N 3.08Å; A155-A158 WeakPolarHBondContact O-CB 3.45Å; A155-A158 PolarHBondContact O-N 3.21Å; E156-A158 VanDerWaalsContact C-N 3.34Å; A158-R160 PolarHBondContact O-N 2.86Å; A158-S161 WeakPolarHBondContact O-CB 3.38Å; A158-S161 PolarHBondContact O-N 2.98Å; A158-I162 WeakPolarHBondContact O-CG1 3.29Å; A158-I162 PolarHBondContact O-N 3.48Å; A158-I216 HydrophobicContact CB-CD1 3.97Å
159	Q	83	Confident	76.9	Confident	121 Å²	121	69.2 Å²	69.2	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-43.9	179.6	-174.7	62	12.9	0	0	112.3	A155 E156 S161 I162 Q163	A155-Q159 WeakPolarHBondContact O-CB 3.03Å; A155-Q159 PolarHBondContact O-N 3.09Å; E156-Q159 PolarHBondContact O-N 3.32Å; Q159-S161 VanDerWaalsContact C-N 3.33Å; Q159-S161 PolarHBondContact O-N 3.18Å; Q159-I162 PolarHBondContact O-N 2.86Å; Q159-Q163 PolarHBondContact O-N 3.15Å
160	R	84.7	Confident	79	Confident	121 Å²	121	65 Å²	65	46%	0.457	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-44.7	175.1	-171.4	-177.1	-60.6	155.3	4	111.3	E156 A158 Q163 M164	E156-R160 WeakPolarHBondContact O-CB 3.41Å; E156-R160 PolarHBondContact O-N 2.72Å; A158-R160 PolarHBondContact O-N 2.86Å; R160-Q163 PolarHBondContact O-N 3.21Å; R160-M164 HydrophobicContact CG-CE 3.92Å; R160-M164 VanDerWaalsContact O-CG 3.31Å; R160-M164 WeakPolarHBondContact O-CG 3.4Å; R160-M164 PolarHBondContact O-N 3.28Å
161	S	86.9	Confident	81	Confident	18 Å²	18	55.8 Å²	55.8	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-42.3	178.4	-57.1	0	0	0	0	111.9	A157 A158 Q159 M164 L165	A157-S161 WeakPolarHBondContact O-CB 3.38Å; A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 PolarHBondContact O-OG 2.67Å; A158-S161 WeakPolarHBondContact O-CB 3.38Å; A158-S161 PolarHBondContact O-N 2.98Å; Q159-S161 VanDerWaalsContact C-N 3.33Å; Q159-S161 PolarHBondContact O-N 3.18Å; S161-M164 PolarHBondContact O-N 2.92Å; S161-L165 VanDerWaalsContact O-CG 3.32Å; S161-L165 WeakPolarHBondContact O-CG 3.42Å; S161-L165 PolarHBondContact O-N 3.49Å
162	I	89.5	Confident	82.7	Confident	26 Å²	26	50.1 Å²	50.1	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-46.3	175.6	-73	165.5	0	0	0	110.9	A158 Q159 M164 L165 N166 A214 I216	A158-I162 WeakPolarHBondContact O-CG1 3.29Å; A158-I162 PolarHBondContact O-N 3.48Å; Q159-I162 PolarHBondContact O-N 2.86Å; I162-M164 VanDerWaalsContact C-N 3.33Å; I162-M164 PolarHBondContact O-N 3.49Å; I162-L165 PolarHBondContact O-N 3Å; I162-N166 WeakPolarHBondContact O-CB 3.34Å; I162-N166 PolarHBondContact O-N 2.92Å; I162-N166 PolarHBondContact O-ND2 3.21Å; I162-A214 HydrophobicContact CG2-CB 4.46Å; I162-A214 VanDerWaalsContact CG2-O 3.23Å; I162-A214 WeakPolarHBondContact CG2-O 3.47Å; I162-I216 HydrophobicContact CD1-CD1 4.27Å; I162-I216 HydrophobicContact CD1-CG1 4.18Å; I162-I216 HydrophobicContact CG1-CD1 4.11Å; I162-I216 HydrophobicContact CG1-CG1 4.05Å
163	Q	90.3	Very high	84	Confident	87 Å²	87	45 Å²	45	41%	0.407	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-43.4	177.1	-173.7	-179.6	8	0	0	111.5	Q159 R160 L165 N166 T167	Q159-Q163 PolarHBondContact O-N 3.15Å; R160-Q163 PolarHBondContact O-N 3.21Å; Q163-L165 PolarHBondContact O-N 2.91Å; Q163-N166 PolarHBondContact O-N 2.84Å; Q163-T167 PolarHBondContact O-N 2.79Å; Q163-T167 PolarHBondContact O-OG1 2.93Å
164	M	92.4	Very high	85	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-47.7	176.3	-72.3	-178.1	177.4	0	0	112	I52 Q54 L101 T141 R160 S161 I162 N166 T167 I168	I52-M164 HydrophobicContact CD1-SD 4.45Å; I52-M164 HydrophobicContact CG2-SD 4.43Å; Q54-M164 HydrophobicContact CB-CE 4.35Å; L101-M164 HydrophobicContact CD1-CB 3.74Å; L101-M164 HydrophobicContact CD1-CG 3.87Å; L101-M164 WeakPolarHBondContact CD1-O 3.45Å; L101-M164 HydrophobicContact CD2-CE 4.07Å; L101-M164 HydrophobicContact CD2-CG 3.79Å; L101-M164 HydrophobicContact CD2-SD 4.24Å; L101-M164 HydrophobicContact CG-CG 4.5Å; T141-M164 HydrophobicContact CG2-CE 4.14Å; T141-M164 HydrophobicContact CG2-SD 3.91Å; T141-M164 VanDerWaalsContact OG1-CE 3.31Å; T141-M164 WeakPolarHBondContact OG1-CE 3.46Å; R160-M164 HydrophobicContact CG-CE 3.92Å; R160-M164 VanDerWaalsContact O-CG 3.31Å; R160-M164 WeakPolarHBondContact O-CG 3.4Å; R160-M164 PolarHBondContact O-N 3.28Å; S161-M164 PolarHBondContact O-N 2.92Å; I162-M164 VanDerWaalsContact C-N 3.33Å; I162-M164 PolarHBondContact O-N 3.49Å; M164-N166 PolarHBondContact O-N 3.43Å; M164-T167 PolarHBondContact O-N 2.84Å; M164-I168 WeakPolarHBondContact O-CG1 3.2Å; M164-I168 PolarHBondContact O-N 2.84Å
165	L	93.2	Very high	85.9	Confident	11 Å²	11	39 Å²	39	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-41.9	178.3	-71.6	173.1	0	0	0	111.8	L42 L143 S161 I162 Q163 T167 I168 L169 A214 I410	L42-L165 HydrophobicContact CD2-CD1 3.79Å; L42-L165 HydrophobicContact CD2-CD2 3.67Å; L42-L165 HydrophobicContact CD2-CG 4.32Å; L143-L165 HydrophobicContact CD1-CD2 3.94Å; S161-L165 VanDerWaalsContact O-CG 3.32Å; S161-L165 WeakPolarHBondContact O-CG 3.42Å; S161-L165 PolarHBondContact O-N 3.49Å; I162-L165 PolarHBondContact O-N 3Å; Q163-L165 PolarHBondContact O-N 2.91Å; L165-T167 VanDerWaalsContact C-N 3.32Å; L165-T167 PolarHBondContact O-N 3.42Å; L165-I168 PolarHBondContact O-N 3.26Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 WeakPolarHBondContact O-CD1 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 2.95Å; L165-A214 HydrophobicContact CB-CB 3.7Å; L165-A214 HydrophobicContact CD1-CB 4.27Å; L165-I410 HydrophobicContact CD2-CD1 4.12Å
166	N	92.6	Very high	86.4	Confident	41 Å²	41	37.7 Å²	37.7	22%	0.219	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-39.9	176.3	-75.4	-25.8	0	0	0	112.6	I162 Q163 M164 S170 A214	I162-N166 WeakPolarHBondContact O-CB 3.34Å; I162-N166 PolarHBondContact O-N 2.92Å; I162-N166 PolarHBondContact O-ND2 3.21Å; Q163-N166 PolarHBondContact O-N 2.84Å; M164-N166 PolarHBondContact O-N 3.43Å; N166-S170 PolarHBondContact O-N 2.87Å; N166-S170 VanDerWaalsContact O-N 3.15Å; N166-S170 PolarHBondContact O-OG 3.42Å; N166-A214 WeakPolarHBondContact OD1-CB 3.29Å; N166-A214 PolarHBondContact OD1-N 3.03Å
167	T	92.3	Very high	86.8	Confident	17 Å²	17	33 Å²	33	10%	0.104	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-48.5	174.4	-62.4	0	0	0	0	111	A93 D95 L101 Q163 M164 L165 L169 S170 Q171	A93-T167 HydrophobicContact CB-CG2 4.04Å; D95-T167 HydrophobicContact CB-CG2 3.96Å; L101-T167 HydrophobicContact CD1-CG2 4.13Å; Q163-T167 PolarHBondContact O-N 2.79Å; Q163-T167 PolarHBondContact O-OG1 2.93Å; M164-T167 PolarHBondContact O-N 2.84Å; L165-T167 VanDerWaalsContact C-N 3.32Å; L165-T167 PolarHBondContact O-N 3.42Å; T167-L169 PolarHBondContact O-N 3.09Å; T167-S170 PolarHBondContact O-N 2.82Å; T167-Q171 PolarHBondContact O-N 3.07Å
168	I	93.6	Very high	86.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.6	-65	162.7	0	0	0	111.1	I52 A93 L101 M164 L165 S170 Q171 L405 F408 I410	I52-I168 HydrophobicContact CD1-CD1 3.86Å; A93-I168 HydrophobicContact CB-CB 4.46Å; A93-I168 HydrophobicContact CB-CG1 3.81Å; L101-I168 HydrophobicContact CD1-CD1 4.32Å; L101-I168 HydrophobicContact CD1-CG1 4.12Å; M164-I168 WeakPolarHBondContact O-CG1 3.2Å; M164-I168 PolarHBondContact O-N 2.84Å; L165-I168 PolarHBondContact O-N 3.26Å; I168-S170 PolarHBondContact O-N 2.77Å; I168-Q171 PolarHBondContact O-N 3.27Å; I168-Q171 VanDerWaalsContact O-N 3.16Å; I168-L405 HydrophobicContact CG2-CD2 3.85Å; I168-F408 HydrophobicContact CD1-CD1 3.6Å; I168-F408 HydrophobicContact CD1-CE1 3.81Å; I168-F408 HydrophobicContact CD1-CG 4.01Å; I168-F408 HydrophobicContact CD1-CZ 4.39Å; I168-F408 HydrophobicContact CG1-CD1 4.19Å; I168-F408 HydrophobicContact CG1-CD2 4.38Å; I168-F408 HydrophobicContact CG1-CE1 4.15Å; I168-F408 HydrophobicContact CG1-CE2 4.34Å; I168-F408 HydrophobicContact CG1-CG 4.3Å; I168-F408 HydrophobicContact CG1-CZ 4.23Å; I168-F408 HydrophobicContact CG2-CB 4.21Å; I168-F408 HydrophobicContact CG2-CD2 4.03Å; I168-F408 HydrophobicContact CG2-CG 4.08Å; I168-I410 HydrophobicContact CG2-CD1 3.77Å
169	L	91.5	Very high	85.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-26	177.4	-74.7	166.5	0	0	0	113.2	L165 T167 R173 A214 V224 L405 L412	L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 WeakPolarHBondContact O-CD1 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 2.95Å; T167-L169 PolarHBondContact O-N 3.09Å; L169-R173 PolarHBondContact O-NH2 3.4Å; L169-A214 HydrophobicContact CD1-CB 4.05Å; L169-V224 HydrophobicContact CD1-CG1 4.16Å; L169-V224 HydrophobicContact CD1-CG2 3.76Å; L169-V224 HydrophobicContact CD2-CG2 4.35Å; L169-L405 HydrophobicContact CD2-CD1 4.45Å; L169-L405 HydrophobicContact CD2-CD2 4.03Å; L169-L412 HydrophobicContact CD2-CD1 3.98Å; L169-L412 HydrophobicContact CD2-CD2 3.99Å; L169-L412 HydrophobicContact CD2-CG 4.21Å
170	S	88	Confident	85.1	Confident	15 Å²	15	33 Å²	33	11%	0.105	19%	0.185	C	C	.	.	H	α-helix	trans	-89.8	-19.8	179.7	-58.7	0	0	0	0	113	N166 T167 I168 G172 R173 L174	N166-S170 PolarHBondContact O-N 2.87Å; N166-S170 VanDerWaalsContact O-N 3.15Å; N166-S170 PolarHBondContact O-OG 3.42Å; T167-S170 PolarHBondContact O-N 2.82Å; I168-S170 PolarHBondContact O-N 2.77Å; S170-G172 PolarHBondContact O-N 3.18Å; S170-R173 PolarHBondContact O-N 2.88Å; S170-R173 VanDerWaalsContact O-N 3.14Å; S170-L174 PolarHBondContact O-N 2.9Å
171	Q	89.6	Confident	84	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-39.9	-162	-165.3	59.3	60.8	0	0	114.2	W76 A93 Y94 T167 I168 R173 L174 C175 F404	W76-Q171 HydrophobicContact CZ2-CG 4.29Å; A93-Q171 HydrophobicContact CB-CB 4.27Å; A93-Q171 HydrophobicContact CB-CG 4.21Å; Y94-Q171 PolarHBondContact O-OE1 3.02Å; T167-Q171 PolarHBondContact O-N 3.07Å; I168-Q171 PolarHBondContact O-N 3.27Å; I168-Q171 VanDerWaalsContact O-N 3.16Å; Q171-R173 PolarHBondContact O-N 2.9Å; Q171-L174 PolarHBondContact O-N 2.89Å; Q171-L174 VanDerWaalsContact O-N 3.09Å; Q171-C175 WeakPolarHBondContact O-CB 3.3Å; Q171-C175 PolarHBondContact O-N 2.8Å; Q171-F404 HydrophobicContact CB-CB 4.24Å; Q171-F404 HydrophobicContact CB-CD1 3.96Å; Q171-F404 HydrophobicContact CB-CD2 4.33Å; Q171-F404 HydrophobicContact CB-CE1 4.42Å; Q171-F404 HydrophobicContact CB-CG 3.91Å; Q171-F404 HydrophobicContact CG-CD1 3.39Å; Q171-F404 HydrophobicContact CG-CD2 4.2Å; Q171-F404 HydrophobicContact CG-CE1 3.43Å; Q171-F404 VanDerWaalsContact CG-CE1 3.43Å; Q171-F404 HydrophobicContact CG-CE2 4.22Å; Q171-F404 HydrophobicContact CG-CG 3.81Å; Q171-F404 HydrophobicContact CG-CZ 3.87Å
172	G	86.8	Confident	83.2	Confident	7 Å²	7	36.8 Å²	36.8	7%	0.072	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-15.5	179.8	0	0	0	0	0	115	S170 T178 F404	S170-G172 PolarHBondContact O-N 3.18Å; G172-T178 PolarHBondContact O-OG1 2.79Å; G172-F404 VanDerWaalsContact CA-CD2 3.48Å
173	R	85.5	Confident	82.7	Confident	9 Å²	9	38.5 Å²	38.5	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-106.4	-19.2	176.2	-83.8	64.7	56.9	-166.2	-17.1	113.3	L169 S170 Q171 F184 I191 F397 D402	L169-R173 PolarHBondContact O-NH2 3.4Å; S170-R173 PolarHBondContact O-N 2.88Å; S170-R173 VanDerWaalsContact O-N 3.14Å; Q171-R173 PolarHBondContact O-N 2.9Å; R173-F184 HydrophobicContact CG-CD2 4.2Å; R173-I191 HydrophobicContact CB-CD1 4.22Å; R173-I191 HydrophobicContact CB-CG2 4.39Å; R173-I191 HydrophobicContact CG-CD1 4.06Å; R173-I191 HydrophobicContact CG-CG2 4.03Å; R173-F397 PolarHBondContact NH1-O 3.47Å; R173-D402 IonicContact CZ-OD2 2.64Å; R173-D402 IonicContact NH1-OD2 2.71Å; R173-D402 PolarHBondContact NH1-OD2 3.26Å; R173-D402 IonicContact NH2-OD2 2.74Å; R173-D402 PolarHBondContact NH2-OD2 2.99Å
174	L	82.1	Confident	82.3	Confident	45 Å²	45	35 Å²	35	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-93.6	-29.4	-180	-70.7	175.6	0	0	0	113.1	S170 Q171 P176 V186	S170-L174 PolarHBondContact O-N 2.9Å; Q171-L174 PolarHBondContact O-N 2.89Å; Q171-L174 VanDerWaalsContact O-N 3.09Å; L174-P176 WeakPolarHBondContact O-CD 3.27Å; L174-V186 HydrophobicContact CD2-CB 3.68Å; L174-V186 HydrophobicContact CD2-CG1 4.24Å; L174-V186 HydrophobicContact CD2-CG2 3.47Å; L174-V186 VanDerWaalsContact CD2-CG2 3.47Å; L174-V186 HydrophobicContact CG-CG2 4.09Å
175	C	85.9	Confident	81.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.			trans	-71.5	123	-175	-174.7	0	0	0	0	111.4	W76 Q171 L177 T178 F404	W76-C175 VanDerWaalsContact CE3-SG 3.55Å; W76-C175 HydrophobicContact CH2-CB 4.41Å; W76-C175 HydrophobicContact CZ2-CB 4.11Å; W76-C175 VanDerWaalsContact CZ3-SG 3.53Å; Q171-C175 WeakPolarHBondContact O-CB 3.3Å; Q171-C175 PolarHBondContact O-N 2.8Å; C175-L177 PolarHBondContact O-N 3.36Å; C175-L177 VanDerWaalsContact SG-CB 3.55Å; C175-L177 PolarHBondContact SG-N 3.29Å; C175-T178 HydrophobicContact CB-CG2 4.29Å; C175-T178 PolarHBondContact O-N 3.43Å; C175-T178 PolarHBondContact O-OG1 3.34Å; C175-F404 HydrophobicContact CB-CE1 4.5Å; C175-F404 HydrophobicContact CB-CE2 3.82Å; C175-F404 HydrophobicContact CB-CZ 3.51Å
176	P	80.3	Confident	81	Confident	57 Å²	57	37 Å²	37	37%	0.37	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.9	177.4	28	-33.4	0	0	0	113.9	W76 L174 T178 P181	W76-P176 HydrophobicContact CB-CG 3.55Å; W76-P176 VanDerWaalsContact CG-CD 3.46Å; W76-P176 HydrophobicContact CG-CG 3.71Å; L174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-T178 PolarHBondContact O-N 2.91Å; P176-P181 HydrophobicContact CB-CG 4.42Å
177	L	81.7	Confident	80.4	Confident	56 Å²	56	36.5 Å²	36.5	29%	0.293	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13	171	-54.7	178.4	0	0	0	112.6	W76 Q80 P89 C175	W76-L177 HydrophobicContact CE3-CD1 3.8Å; W76-L177 HydrophobicContact CE3-CG 4.2Å; W76-L177 HydrophobicContact CZ3-CD1 3.9Å; Q80-L177 HydrophobicContact CG-CD2 3.88Å; P89-L177 HydrophobicContact CB-CD1 3.65Å; P89-L177 HydrophobicContact CG-CD1 4.32Å; C175-L177 PolarHBondContact O-N 3.36Å; C175-L177 VanDerWaalsContact SG-CB 3.55Å; C175-L177 PolarHBondContact SG-N 3.29Å
178	T	75.4	Confident	79.6	Confident	26 Å²	26	41.9 Å²	41.9	16%	0.16	25%	0.246	C	C	.	.	S	Bend	trans	-93.4	144.3	170.9	70.3	0	0	0	0	109.2	G172 C175 P176 K180 P181 F404	G172-T178 PolarHBondContact O-OG1 2.79Å; C175-T178 HydrophobicContact CB-CG2 4.29Å; C175-T178 PolarHBondContact O-N 3.43Å; C175-T178 PolarHBondContact O-OG1 3.34Å; P176-T178 PolarHBondContact O-N 2.91Å; T178-K180 PolarHBondContact O-N 3.5Å; T178-P181 WeakPolarHBondContact O-CD 3.37Å; T178-F404 HydrophobicContact CG2-CE2 3.83Å
179	A	58.5	Low	78.7	Confident	107 Å²	107	43.3 Å²	43.3	88%	0.884	26%	0.261	S	S	*	.	S	Bend	trans	-73.2	26.6	-174.7	0	0	0	0	0	114.8
180	K	65.4	Low	78.7	Confident	43 Å²	43	43.7 Å²	43.7	19%	0.187	26%	0.263	C	S	.	.			trans	-127.3	-6	-161.1	-70.4	-180	172.1	-171.4	0	118.4	T178 E182 S183 F184 E398	T178-K180 PolarHBondContact O-N 3.5Å; K180-E182 PolarHBondContact O-N 2.97Å; K180-E182 VanDerWaalsContact O-N 3.14Å; K180-S183 PolarHBondContact O-N 3.32Å; K180-S183 VanDerWaalsContact O-N 3.11Å; K180-F184 HydrophobicContact CB-CD2 4.02Å; K180-F184 HydrophobicContact CB-CE2 3.98Å; K180-F184 HydrophobicContact CD-CE2 4.08Å; K180-F184 HydrophobicContact CG-CE2 4.21Å; K180-F184 WeakPolarHBondContact O-CD2 3.45Å; K180-F184 PolarHBondContact O-N 3.34Å; K180-E398 IonicContact NZ-OE1 3.26Å; K180-E398 PolarHBondContact NZ-OE1 2.89Å; K180-E398 IonicContact NZ-OE2 3.65Å; K180-E398 PolarHBondContact NZ-OE2 3.45Å
181	P	62.5	Low	78.7	Confident	46 Å²	46	43 Å²	43	30%	0.299	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.2	-37.3	179.3	-23.1	27.1	0	0	0	112.3	P176 T178 S183 F184 K359	P176-P181 HydrophobicContact CB-CG 4.42Å; T178-P181 WeakPolarHBondContact O-CD 3.37Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.19Å; P181-F184 PolarHBondContact O-N 2.94Å; P181-K359 PolarHBondContact O-NZ 2.96Å
182	E	70.4	Confident	78.8	Confident	172 Å²	172	43.3 Å²	43.3	80%	0.804	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.7	-30.6	-177.2	-63.2	-173.1	172.8	0	0	113.5	K180	K180-E182 PolarHBondContact O-N 2.97Å; K180-E182 VanDerWaalsContact O-N 3.14Å
183	S	79.1	Confident	78.8	Confident	62 Å²	62	43.6 Å²	43.6	43%	0.434	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-82.3	-18.3	-177.1	-65.8	0	0	0	0	113.7	K180 P181 V194	K180-S183 PolarHBondContact O-N 3.32Å; K180-S183 VanDerWaalsContact O-N 3.11Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.19Å; S183-V194 WeakPolarHBondContact O-CB 3.48Å; S183-V194 WeakPolarHBondContact O-CG2 3.28Å; S183-V194 PolarHBondContact O-N 3.03Å
184	F	81	Confident	78.8	Confident	14 Å²	14	43.8 Å²	43.8	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.5	-174.5	-53.5	-62.3	0	0	0	113	R173 K180 P181 I191 F192 E193 K359 F397	R173-F184 HydrophobicContact CG-CD2 4.2Å; K180-F184 HydrophobicContact CB-CD2 4.02Å; K180-F184 HydrophobicContact CB-CE2 3.98Å; K180-F184 HydrophobicContact CD-CE2 4.08Å; K180-F184 HydrophobicContact CG-CE2 4.21Å; K180-F184 WeakPolarHBondContact O-CD2 3.45Å; K180-F184 PolarHBondContact O-N 3.34Å; P181-F184 PolarHBondContact O-N 2.94Å; F184-I191 HydrophobicContact CB-CG2 4.02Å; F184-I191 HydrophobicContact CD1-CG2 4.36Å; F184-I191 HydrophobicContact CG-CG2 4.25Å; F184-F192 CarbonylContact C-O 3.48Å; F184-F192 VanDerWaalsContact CA-O 3.26Å; F184-F192 WeakPolarHBondContact CA-O 3.4Å; F184-E193 HydrophobicContact CE1-CG 4.38Å; F184-K359 VanDerWaalsContact O-CE 3.3Å; F184-K359 WeakPolarHBondContact O-CE 3.34Å; F184-K359 PolarHBondContact O-NZ 2.93Å; F184-F397 HydrophobicContact CD1-CD1 4.18Å; F184-F397 AromaticContact CD1-CE1 3.57Å; F184-F397 HydrophobicContact CD1-CE1 3.57Å; F184-F397 HydrophobicContact CD1-CZ 4.2Å; F184-F397 AromaticContact CE1-CD1 3.61Å; F184-F397 HydrophobicContact CE1-CD1 3.61Å; F184-F397 AromaticContact CE1-CE1 3.22Å; F184-F397 HydrophobicContact CE1-CE1 3.22Å; F184-F397 HydrophobicContact CE1-CZ 4.25Å; F184-F397 AromaticContact CZ-CD1 3.78Å; F184-F397 HydrophobicContact CZ-CD1 3.78Å; F184-F397 AromaticContact CZ-CE1 3.9Å; F184-F397 HydrophobicContact CZ-CE1 3.9Å
185	C	80.9	Confident	78.9	Confident	16 Å²	16	45.2 Å²	45.2	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.6	172.8	176.3	0	0	0	0	108.2	F192 K359	C185-F192 HydrophobicContact CB-CB 4.45Å; C185-F192 PolarHBondContact N-O 2.95Å; C185-F192 PolarHBondContact O-N 2.76Å; C185-K359 HydrophobicContact CB-CB 4.09Å; C185-K359 HydrophobicContact CB-CD 3.98Å; C185-K359 HydrophobicContact CB-CG 4.03Å
186	V	78.9	Confident	78.8	Confident	41 Å²	41	46.3 Å²	46.3	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.6	180	-173.5	0	0	0	0	109.3	L174 T190 I191	L174-V186 HydrophobicContact CD2-CB 3.68Å; L174-V186 HydrophobicContact CD2-CG1 4.24Å; L174-V186 HydrophobicContact CD2-CG2 3.47Å; L174-V186 VanDerWaalsContact CD2-CG2 3.47Å; L174-V186 HydrophobicContact CG-CG2 4.09Å; V186-T190 CarbonylContact C-O 3.6Å; V186-T190 VanDerWaalsContact CA-O 3.29Å; V186-T190 WeakPolarHBondContact CA-O 3.4Å; V186-I191 HydrophobicContact CG1-CG1 4.43Å; V186-I191 HydrophobicContact CG2-CG1 3.98Å; V186-I191 HydrophobicContact CG2-CG2 4.43Å
187	I	79.6	Confident	78.9	Confident	31 Å²	31	48.3 Å²	48.3	16%	0.159	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.6	177.9	-58.4	179.8	0	0	0	107.4	G189 T190 F192 F233 R361	I187-G189 VanDerWaalsContact C-N 3.29Å; I187-G189 PolarHBondContact O-N 3.48Å; I187-G189 VanDerWaalsContact O-N 3.16Å; I187-T190 PolarHBondContact N-O 2.85Å; I187-T190 WeakPolarHBondContact O-CA 3.29Å; I187-T190 WeakPolarHBondContact O-CB 3.43Å; I187-T190 PolarHBondContact O-N 2.72Å; I187-F192 HydrophobicContact CB-CD2 4.32Å; I187-F192 HydrophobicContact CB-CE2 3.98Å; I187-F192 HydrophobicContact CG1-CD2 4.45Å; I187-F233 HydrophobicContact CD1-CE1 3.58Å; I187-F233 HydrophobicContact CD1-CZ 3.64Å; I187-R361 HydrophobicContact CD1-CB 4.15Å
188	D	74	Confident	79.2	Confident	130 Å²	130	50.3 Å²	50.3	70%	0.695	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.4	172.5	-52	-31	0	0	0	114.2	T190 R361	D188-T190 PolarHBondContact O-N 2.82Å; D188-R361 IonicContact OD2-NH1 3.6Å; D188-R361 PolarHBondContact OD2-NH1 3.24Å
189	G	76.1	Confident	79.7	Confident	31 Å²	31	54.1 Å²	54.1	32%	0.32	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	3.2	-178.8	0	0	0	0	0	115.2	I187	I187-G189 VanDerWaalsContact C-N 3.29Å; I187-G189 PolarHBondContact O-N 3.48Å; I187-G189 VanDerWaalsContact O-N 3.16Å
190	T	90.4	Very high	81.1	Confident	10 Å²	10	49.3 Å²	49.3	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.2	176.2	-57.3	0	0	0	0	110.7	V186 I187 D188 F192 L210 F211 T229	V186-T190 CarbonylContact C-O 3.6Å; V186-T190 VanDerWaalsContact CA-O 3.29Å; V186-T190 WeakPolarHBondContact CA-O 3.4Å; I187-T190 PolarHBondContact N-O 2.85Å; I187-T190 WeakPolarHBondContact O-CA 3.29Å; I187-T190 WeakPolarHBondContact O-CB 3.43Å; I187-T190 PolarHBondContact O-N 2.72Å; D188-T190 PolarHBondContact O-N 2.82Å; T190-F192 HydrophobicContact CG2-CD1 4.49Å; T190-F192 HydrophobicContact CG2-CD2 3.99Å; T190-F192 HydrophobicContact CG2-CE1 3.97Å; T190-F192 HydrophobicContact CG2-CE2 3.41Å; T190-F192 VanDerWaalsContact CG2-CE2 3.41Å; T190-F192 HydrophobicContact CG2-CG 4.49Å; T190-F192 HydrophobicContact CG2-CZ 3.41Å; T190-F192 VanDerWaalsContact CG2-CZ 3.41Å; T190-L210 WeakPolarHBondContact CA-O 3.24Å; T190-F211 HydrophobicContact CG2-CB 4.49Å; T190-T229 HydrophobicContact CG2-CG2 4.21Å
191	I	89.1	Confident	82.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.3	178.2	-56	163.1	0	0	0	108.8	R173 F184 V186 G209 L210 F397 Y399	R173-I191 HydrophobicContact CB-CD1 4.22Å; R173-I191 HydrophobicContact CB-CG2 4.39Å; R173-I191 HydrophobicContact CG-CD1 4.06Å; R173-I191 HydrophobicContact CG-CG2 4.03Å; F184-I191 HydrophobicContact CB-CG2 4.02Å; F184-I191 HydrophobicContact CD1-CG2 4.36Å; F184-I191 HydrophobicContact CG-CG2 4.25Å; V186-I191 HydrophobicContact CG1-CG1 4.43Å; V186-I191 HydrophobicContact CG2-CG1 3.98Å; V186-I191 HydrophobicContact CG2-CG2 4.43Å; I191-G209 CarbonylContact O-C 3.51Å; I191-G209 WeakPolarHBondContact O-CA 3.1Å; I191-L210 PolarHBondContact N-O 2.91Å; I191-L210 PolarHBondContact O-N 3.2Å; I191-F397 HydrophobicContact CB-CD2 4.33Å; I191-F397 HydrophobicContact CB-CE2 3.64Å; I191-F397 HydrophobicContact CB-CZ 4.11Å; I191-F397 HydrophobicContact CD1-CD2 4.31Å; I191-F397 HydrophobicContact CD1-CE2 4.43Å; I191-F397 HydrophobicContact CG2-CD2 4.16Å; I191-F397 HydrophobicContact CG2-CE1 4.31Å; I191-F397 HydrophobicContact CG2-CE2 3.55Å; I191-F397 HydrophobicContact CG2-CZ 3.63Å; I191-F397 WeakPolarHBondContact O-CZ 3.37Å; I191-Y399 WeakPolarHBondContact CD1-OH 3.37Å
192	F	90.2	Very high	83.4	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.7	179.1	-65.7	-86.3	0	0	0	112.4	F184 C185 I187 T190 R207 T229 E231 F233	F184-F192 CarbonylContact C-O 3.48Å; F184-F192 VanDerWaalsContact CA-O 3.26Å; F184-F192 WeakPolarHBondContact CA-O 3.4Å; C185-F192 HydrophobicContact CB-CB 4.45Å; C185-F192 PolarHBondContact N-O 2.95Å; C185-F192 PolarHBondContact O-N 2.76Å; I187-F192 HydrophobicContact CB-CD2 4.32Å; I187-F192 HydrophobicContact CB-CE2 3.98Å; I187-F192 HydrophobicContact CG1-CD2 4.45Å; T190-F192 HydrophobicContact CG2-CD1 4.49Å; T190-F192 HydrophobicContact CG2-CD2 3.99Å; T190-F192 HydrophobicContact CG2-CE1 3.97Å; T190-F192 HydrophobicContact CG2-CE2 3.41Å; T190-F192 VanDerWaalsContact CG2-CE2 3.41Å; T190-F192 HydrophobicContact CG2-CG 4.49Å; T190-F192 HydrophobicContact CG2-CZ 3.41Å; T190-F192 VanDerWaalsContact CG2-CZ 3.41Å; F192-R207 HydrophobicContact CD1-CB 4.41Å; F192-T229 HydrophobicContact CE1-CG2 4.12Å; F192-T229 HydrophobicContact CZ-CG2 3.97Å; F192-E231 HydrophobicContact CD1-CB 4.37Å; F192-E231 HydrophobicContact CE1-CB 3.47Å; F192-E231 VanDerWaalsContact CE1-CB 3.47Å; F192-E231 HydrophobicContact CZ-CB 3.6Å; F192-E231 HydrophobicContact CZ-CG 4.43Å; F192-F233 HydrophobicContact CB-CE2 4.35Å; F192-F233 HydrophobicContact CB-CZ 4.05Å; F192-F233 AromaticContact CD1-CE2 3.89Å; F192-F233 HydrophobicContact CD1-CE2 3.89Å; F192-F233 HydrophobicContact CD1-CZ 4.17Å; F192-F233 HydrophobicContact CD2-CE2 4.48Å; F192-F233 AromaticContact CD2-CZ 3.96Å; F192-F233 HydrophobicContact CD2-CZ 3.96Å; F192-F233 HydrophobicContact CE1-CE2 4.32Å; F192-F233 HydrophobicContact CE2-CZ 4.47Å; F192-F233 AromaticContact CG-CE2 3.98Å; F192-F233 HydrophobicContact CG-CE2 3.98Å; F192-F233 AromaticContact CG-CZ 3.78Å; F192-F233 HydrophobicContact CG-CZ 3.78Å
193	E	88.3	Confident	84.4	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.1	174.7	-173.4	-167.7	161.7	0	0	110.9	F184 A195 S196 R208 M393 K396	F184-E193 HydrophobicContact CE1-CG 4.38Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 HydrophobicContact CG-CB 4.37Å; E193-A195 PolarHBondContact O-N 3.38Å; E193-A195 WeakPolarHBondContact OE1-CB 3.37Å; E193-S196 PolarHBondContact O-N 3.32Å; E193-S196 PolarHBondContact O-OG 2.98Å; E193-R208 PolarHBondContact N-O 2.95Å; E193-R208 IonicContact OE2-NH2 2.94Å; E193-M393 HydrophobicContact CB-CE 4.48Å; E193-K396 WeakPolarHBondContact OE1-CE 3.42Å; E193-K396 IonicContact OE1-NZ 3.15Å; E193-K396 PolarHBondContact OE1-NZ 3.23Å; E193-K396 IonicContact OE2-NZ 2.93Å; E193-K396 PolarHBondContact OE2-NZ 2.93Å
194	V	85.1	Confident	85	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.085	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.1	179.5	176.7	0	0	0	0	111.9	S183 K197 E358 K359	S183-V194 WeakPolarHBondContact O-CB 3.48Å; S183-V194 WeakPolarHBondContact O-CG2 3.28Å; S183-V194 PolarHBondContact O-N 3.03Å; V194-K197 WeakPolarHBondContact O-CE 3.29Å; V194-K197 WeakPolarHBondContact O-CG 3.47Å; V194-E358 HydrophobicContact CG1-CG 3.84Å; V194-K359 HydrophobicContact CG2-CD 4.43Å; V194-K359 HydrophobicContact CG2-CG 4.07Å
195	A	84.1	Confident	85.6	Confident	75 Å²	75	40.9 Å²	40.9	62%	0.62	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.9	-179.2	0	0	0	0	0	114	E193 K197	E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 HydrophobicContact CG-CB 4.37Å; E193-A195 PolarHBondContact O-N 3.38Å; E193-A195 WeakPolarHBondContact OE1-CB 3.37Å; A195-K197 PolarHBondContact O-N 2.9Å
196	S	83	Confident	86.1	Confident	22 Å²	22	40.3 Å²	40.3	15%	0.154	22%	0.224	C	C	.	.			trans	-76.7	92.2	175.3	67.5	0	0	0	0	110.2	E193 I206 R207 R208	E193-S196 PolarHBondContact O-N 3.32Å; E193-S196 PolarHBondContact O-OG 2.98Å; S196-I206 VanDerWaalsContact O-O 3.13Å; S196-R207 WeakPolarHBondContact O-CA 3.49Å; S196-R207 WeakPolarHBondContact O-CG 3.33Å; S196-R208 PolarHBondContact OG-N 3.19Å
197	K	82.3	Confident	86.7	Confident	100 Å²	100	38.4 Å²	38.4	44%	0.435	21%	0.212	S	C	.	.			trans	-119.2	104.6	-174.7	-59.2	-175	178.5	-169.3	0	110.7	V194 A195 E358	V194-K197 WeakPolarHBondContact O-CE 3.29Å; V194-K197 WeakPolarHBondContact O-CG 3.47Å; A195-K197 PolarHBondContact O-N 2.9Å; K197-E358 IonicContact NZ-OE1 3.66Å; K197-E358 IonicContact NZ-OE2 2.86Å; K197-E358 PolarHBondContact NZ-OE2 3.45Å
198	I	88.1	Confident	87.3	Confident	98 Å²	98	39.7 Å²	39.7	50%	0.503	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.5	169.1	-56.6	172.1	0	0	0	107.6	L200 E205 I206	I198-L200 PolarHBondContact O-N 3.46Å; I198-E205 CarbonylContact O-C 3.58Å; I198-E205 VanDerWaalsContact O-CA 3.26Å; I198-E205 WeakPolarHBondContact O-CA 3.46Å; I198-I206 HydrophobicContact CB-CB 4.23Å; I198-I206 PolarHBondContact N-O 3.01Å; I198-I206 PolarHBondContact O-N 3.47Å
199	D	87.4	Confident	88.2	Confident	106 Å²	106	33.5 Å²	33.5	57%	0.567	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	120.3	-178.1	-175.9	16.3	0	0	0	111.4	K201	D199-K201 WeakPolarHBondContact OD1-CA 3.37Å; D199-K201 PolarHBondContact OD1-N 2.86Å
200	L	87.2	Confident	89	Confident	6 Å²	6	32 Å²	32	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	2.3	173	-78.3	-177.4	0	0	0	112.9	I198 A204 I206 T232 Q371 L374	I198-L200 PolarHBondContact O-N 3.46Å; L200-A204 HydrophobicContact CB-CB 4.04Å; L200-A204 WeakPolarHBondContact CB-O 3.33Å; L200-A204 PolarHBondContact N-O 3.06Å; L200-I206 HydrophobicContact CD1-CD1 3.81Å; L200-I206 HydrophobicContact CD1-CG1 3.43Å; L200-I206 VanDerWaalsContact CD1-CG1 3.43Å; L200-I206 HydrophobicContact CD2-CD1 3.6Å; L200-I206 HydrophobicContact CD2-CG1 4.09Å; L200-I206 HydrophobicContact CG-CD1 3.76Å; L200-I206 HydrophobicContact CG-CG1 3.64Å; L200-T232 HydrophobicContact CD1-CG2 3.59Å; L200-Q371 HydrophobicContact CB-CG 4.3Å; L200-Q371 HydrophobicContact CD1-CB 4.38Å; L200-Q371 WeakPolarHBondContact O-CG 3.45Å; L200-Q371 PolarHBondContact O-NE2 2.95Å; L200-L374 HydrophobicContact CD2-CB 3.42Å; L200-L374 VanDerWaalsContact CD2-CB 3.42Å; L200-L374 HydrophobicContact CD2-CD1 3.82Å; L200-L374 HydrophobicContact CD2-CG 4.27Å
201	K	86.9	Confident	89.1	Confident	151 Å²	151	32.7 Å²	32.7	66%	0.657	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	61.6	176	-168.2	-51.8	179.5	178.1	178.9	0	111.4	D199 G203 A204 Q371	D199-K201 WeakPolarHBondContact OD1-CA 3.37Å; D199-K201 PolarHBondContact OD1-N 2.86Å; K201-G203 PolarHBondContact O-N 2.86Å; K201-A204 PolarHBondContact O-N 3.17Å; K201-Q371 PolarHBondContact O-NE2 2.92Å
202	G	88.7	Confident	89.3	Confident	3 Å²	3	33 Å²	33	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	20	-179.5	0	0	0	0	0	113.9	A204 Y242 D245	G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 3.42Å; G202-Y242 WeakPolarHBondContact O-CE2 3.36Å; G202-D245 WeakPolarHBondContact CA-O 2.92Å
203	G	91.3	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	12	-176.3	0	0	0	0	0	115.2	K201 R235	K201-G203 PolarHBondContact O-N 2.86Å; G203-R235 PolarHBondContact O-N 3.35Å
204	A	93	Very high	89.7	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.1	172.3	0	0	0	0	0	110.3	L200 K201 G202 F233 Y362 L367	L200-A204 HydrophobicContact CB-CB 4.04Å; L200-A204 WeakPolarHBondContact CB-O 3.33Å; L200-A204 PolarHBondContact N-O 3.06Å; K201-A204 PolarHBondContact O-N 3.17Å; G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 3.42Å; A204-F233 WeakPolarHBondContact CA-O 3.02Å; A204-Y362 HydrophobicContact CB-CD2 3.62Å; A204-Y362 HydrophobicContact CB-CE2 3.55Å; A204-Y362 HydrophobicContact CB-CG 4.19Å; A204-L367 HydrophobicContact CB-CD2 4.25Å
205	E	92.9	Very high	89.9	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.4	171.3	57.1	180	-137.6	0	0	110.2	I198 R207 T232 F233	I198-E205 CarbonylContact O-C 3.58Å; I198-E205 VanDerWaalsContact O-CA 3.26Å; I198-E205 WeakPolarHBondContact O-CA 3.46Å; E205-R207 IonicContact OE1-CZ 3.7Å; E205-R207 IonicContact OE1-NE 2.8Å; E205-R207 PolarHBondContact OE1-NE 3.37Å; E205-R207 IonicContact OE1-NH2 2.91Å; E205-R207 PolarHBondContact OE1-NH2 3.42Å; E205-T232 CarbonylContact O-C 3.59Å; E205-T232 WeakPolarHBondContact O-CA 3.23Å; E205-F233 HydrophobicContact CG-CB 4.27Å; E205-F233 PolarHBondContact N-O 3.31Å; E205-F233 PolarHBondContact O-N 3.08Å
206	I	91.7	Very high	90	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.9	171.1	-62.1	163.7	0	0	0	108.5	S196 I198 L200 Y230 E231 T232 L375	S196-I206 VanDerWaalsContact O-O 3.13Å; I198-I206 HydrophobicContact CB-CB 4.23Å; I198-I206 PolarHBondContact N-O 3.01Å; I198-I206 PolarHBondContact O-N 3.47Å; L200-I206 HydrophobicContact CD1-CD1 3.81Å; L200-I206 HydrophobicContact CD1-CG1 3.43Å; L200-I206 VanDerWaalsContact CD1-CG1 3.43Å; L200-I206 HydrophobicContact CD2-CD1 3.6Å; L200-I206 HydrophobicContact CD2-CG1 4.09Å; L200-I206 HydrophobicContact CG-CD1 3.76Å; L200-I206 HydrophobicContact CG-CG1 3.64Å; I206-Y230 HydrophobicContact CG2-CD1 3.71Å; I206-Y230 HydrophobicContact CG2-CG 4.29Å; I206-E231 WeakPolarHBondContact CA-O 3.37Å; I206-T232 HydrophobicContact CG1-CG2 4.19Å; I206-L375 HydrophobicContact CD1-CB 4.21Å; I206-L375 HydrophobicContact CD1-CD1 4.02Å; I206-L375 HydrophobicContact CG1-CD1 3.94Å; I206-L375 HydrophobicContact CG2-CD1 4.28Å
207	R	91.9	Very high	90.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.3	168.3	-56.2	-170.8	179.4	176.1	-1.2	111.1	F192 S196 E205 Y230 E231 F233 E358	F192-R207 HydrophobicContact CD1-CB 4.41Å; S196-R207 WeakPolarHBondContact O-CA 3.49Å; S196-R207 WeakPolarHBondContact O-CG 3.33Å; E205-R207 IonicContact OE1-CZ 3.7Å; E205-R207 IonicContact OE1-NE 2.8Å; E205-R207 PolarHBondContact OE1-NE 3.37Å; E205-R207 IonicContact OE1-NH2 2.91Å; E205-R207 PolarHBondContact OE1-NH2 3.42Å; R207-Y230 WeakPolarHBondContact O-CA 3.35Å; R207-E231 PolarHBondContact N-O 3.41Å; R207-E231 PolarHBondContact O-N 3.04Å; R207-E231 VanDerWaalsContact O-N 3.09Å; R207-F233 HydrophobicContact CB-CD2 3.67Å; R207-F233 HydrophobicContact CB-CE2 3.74Å; R207-F233 HydrophobicContact CG-CB 4.32Å; R207-F233 HydrophobicContact CG-CD2 3.51Å; R207-F233 HydrophobicContact CG-CE2 4.05Å; R207-F233 HydrophobicContact CG-CG 4.05Å; R207-E358 IonicContact CZ-OE1 3.5Å; R207-E358 IonicContact NH2-OE1 3.64Å; R207-E358 PolarHBondContact NH2-OE1 2.89Å; R207-E358 IonicContact NH2-OE2 3.49Å
208	R	91.4	Very high	89.9	Confident	58 Å²	58	31.4 Å²	31.4	22%	0.219	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.9	175.9	-171.3	176.3	66.4	172.8	-3.4	109.4	E193 S196 L228 T229 Y230 M393	E193-R208 PolarHBondContact N-O 2.95Å; E193-R208 IonicContact OE2-NH2 2.94Å; S196-R208 PolarHBondContact OG-N 3.19Å; R208-L228 HydrophobicContact CG-CD1 3.63Å; R208-L228 HydrophobicContact CG-CG 4.36Å; R208-T229 CarbonylContact C-O 3.47Å; R208-Y230 HydrophobicContact CB-CD1 4.37Å; R208-Y230 HydrophobicContact CB-CE1 4.11Å; R208-Y230 HydrophobicContact CG-CE1 4Å; R208-M393 HydrophobicContact CG-CE 4.37Å
209	G	92	Very high	89.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.5	177.4	0	0	0	0	0	112.9	I191 T229	I191-G209 CarbonylContact O-C 3.51Å; I191-G209 WeakPolarHBondContact O-CA 3.1Å; G209-T229 PolarHBondContact N-O 3.43Å; G209-T229 PolarHBondContact O-N 3.11Å
210	L	93.3	Very high	88.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.8	173.7	-167.1	72.8	0	0	0	108.6	T190 I191 T212 V226 D227 C390 M393 M394 F397 Y399	T190-L210 WeakPolarHBondContact CA-O 3.24Å; I191-L210 PolarHBondContact N-O 2.91Å; I191-L210 PolarHBondContact O-N 3.2Å; L210-T212 HydrophobicContact CD2-CG2 3.95Å; L210-T212 HydrophobicContact CG-CG2 4.08Å; L210-V226 HydrophobicContact CD1-CB 4.42Å; L210-D227 CarbonylContact C-O 3.5Å; L210-D227 WeakPolarHBondContact CA-O 3.4Å; L210-C390 HydrophobicContact CD1-CB 4.01Å; L210-M393 HydrophobicContact CB-CB 4.37Å; L210-M393 HydrophobicContact CB-CE 4.43Å; L210-M393 HydrophobicContact CD1-CB 4.2Å; L210-M393 HydrophobicContact CD2-CB 4.41Å; L210-M394 HydrophobicContact CD2-CG 3.66Å; L210-F397 HydrophobicContact CB-CD2 4.19Å; L210-F397 HydrophobicContact CB-CE2 3.56Å; L210-F397 HydrophobicContact CB-CZ 4.46Å; L210-F397 HydrophobicContact CD2-CD2 4.02Å; L210-F397 HydrophobicContact CD2-CE2 4.24Å; L210-Y399 HydrophobicContact CD2-CE2 3.91Å
211	F	93.9	Very high	88.2	Confident	24 Å²	24	28.4 Å²	28.4	11%	0.105	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.9	167	172.3	-95.5	0	0	0	108.6	T190 E213 V226 D227 H731	T190-F211 HydrophobicContact CG2-CB 4.49Å; F211-E213 HydrophobicContact CE1-CB 3.56Å; F211-E213 HydrophobicContact CZ-CB 3.55Å; F211-E213 HydrophobicContact CZ-CG 4.26Å; F211-V226 WeakPolarHBondContact O-CA 3.5Å; F211-D227 HydrophobicContact CB-CB 4.22Å; F211-D227 HydrophobicContact CD1-CB 4.14Å; F211-D227 PolarHBondContact N-O 2.91Å; F211-D227 PolarHBondContact O-N 2.92Å; F211-H731 HydrophobicContact CD1-CB 3.76Å; F211-H731 AromaticContact CD1-CD2 3.93Å; F211-H731 AromaticContact CD1-CG 3.65Å; F211-H731 HydrophobicContact CE1-CB 3.69Å; F211-H731 AromaticContact CE1-CD2 3.69Å; F211-H731 AromaticContact CE1-CG 3.72Å; F211-H731 AromaticContact CE2-CD2 3.98Å; F211-H731 AromaticContact CZ-CD2 3.7Å
212	T	93	Very high	88.3	Confident	8 Å²	8	22 Å²	22	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.2	177	58.4	0	0	0	0	110.5	L210 N225 V226 Y399	L210-T212 HydrophobicContact CD2-CG2 3.95Å; L210-T212 HydrophobicContact CG-CG2 4.08Å; T212-N225 WeakPolarHBondContact CA-O 3.1Å; T212-V226 HydrophobicContact CG2-CG1 4.05Å; T212-Y399 WeakPolarHBondContact CG2-OH 3.36Å
213	E	93.3	Very high	88.5	Confident	58 Å²	58	22.2 Å²	22.2	27%	0.271	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	120.1	-179.8	-176.4	-171.5	-168.6	0	0	110.5	F211 K215 V224 N225	F211-E213 HydrophobicContact CE1-CB 3.56Å; F211-E213 HydrophobicContact CZ-CB 3.55Å; F211-E213 HydrophobicContact CZ-CG 4.26Å; E213-K215 HydrophobicContact CG-CG 4.49Å; E213-K215 IonicContact OE1-NZ 3.42Å; E213-K215 PolarHBondContact OE1-NZ 3Å; E213-K215 WeakPolarHBondContact OE2-CE 3.46Å; E213-K215 IonicContact OE2-NZ 2.55Å; E213-K215 PolarHBondContact OE2-NZ 3.16Å; E213-V224 CarbonylContact O-C 3.57Å; E213-V224 WeakPolarHBondContact O-CA 3.3Å; E213-N225 PolarHBondContact N-O 2.91Å; E213-N225 PolarHBondContact O-N 3.39Å
214	A	93.1	Very high	88.7	Confident	2 Å²	2	22.2 Å²	22.2	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.5	171	0	0	0	0	0	110.4	I162 L165 N166 L169 L223	I162-A214 HydrophobicContact CG2-CB 4.46Å; I162-A214 VanDerWaalsContact CG2-O 3.23Å; I162-A214 WeakPolarHBondContact CG2-O 3.47Å; L165-A214 HydrophobicContact CB-CB 3.7Å; L165-A214 HydrophobicContact CD1-CB 4.27Å; N166-A214 WeakPolarHBondContact OD1-CB 3.29Å; N166-A214 PolarHBondContact OD1-N 3.03Å; L169-A214 HydrophobicContact CD1-CB 4.05Å; A214-L223 CarbonylContact C-O 3.54Å; A214-L223 WeakPolarHBondContact CA-O 3.26Å
215	K	89.7	Confident	88.8	Confident	43 Å²	43	22.2 Å²	22.2	19%	0.187	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.6	175.4	-59.8	-151.9	-179.3	-145.9	0	110.6	F39 E213 T217 L223	F39-K215 HydrophobicContact CE1-CB 4.24Å; F39-K215 HydrophobicContact CE1-CD 3.92Å; F39-K215 HydrophobicContact CE1-CG 4.18Å; F39-K215 HydrophobicContact CZ-CD 4.18Å; E213-K215 HydrophobicContact CG-CG 4.49Å; E213-K215 IonicContact OE1-NZ 3.42Å; E213-K215 PolarHBondContact OE1-NZ 3Å; E213-K215 WeakPolarHBondContact OE2-CE 3.46Å; E213-K215 IonicContact OE2-NZ 2.55Å; E213-K215 PolarHBondContact OE2-NZ 3.16Å; K215-T217 HydrophobicContact CB-CG2 4.47Å; K215-L223 PolarHBondContact N-O 2.91Å; K215-L223 PolarHBondContact O-N 3.24Å; K215-L223 VanDerWaalsContact O-O 3.1Å
216	I	86.6	Confident	88.9	Confident	38 Å²	38	21.9 Å²	21.9	20%	0.195	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.8	167.4	-57.7	171.1	0	0	0	106.3	A158 I162 A765	A158-I216 HydrophobicContact CB-CD1 3.97Å; I162-I216 HydrophobicContact CD1-CD1 4.27Å; I162-I216 HydrophobicContact CD1-CG1 4.18Å; I162-I216 HydrophobicContact CG1-CD1 4.11Å; I162-I216 HydrophobicContact CG1-CG1 4.05Å; I216-A765 HydrophobicContact CG2-CB 4.12Å; I216-A765 PolarHBondContact O-N 2.65Å
217	T	84.3	Confident	89	Confident	3 Å²	3	21.8 Å²	21.8	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	174.5	-178.9	62.6	0	0	0	0	111.6	K215 C220 L221 L223 R761 I763	K215-T217 HydrophobicContact CB-CG2 4.47Å; T217-C220 WeakPolarHBondContact O-CA 3.41Å; T217-C220 PolarHBondContact O-N 2.88Å; T217-L221 PolarHBondContact N-O 2.91Å; T217-L221 PolarHBondContact O-N 3.32Å; T217-L221 PolarHBondContact OG1-O 3Å; T217-L223 HydrophobicContact CG2-CD1 3.77Å; T217-L223 HydrophobicContact CG2-CG 4.31Å; T217-R761 WeakPolarHBondContact CB-O 3.32Å; T217-R761 PolarHBondContact OG1-O 2.87Å; T217-I763 CarbonylContact C-O 3.37Å; T217-I763 WeakPolarHBondContact CA-O 3.43Å; T217-I763 VanDerWaalsContact CB-O 3.24Å; T217-I763 WeakPolarHBondContact CB-O 3.47Å
218	D	78	Confident	89	Confident	51 Å²	51	21.9 Å²	21.9	27%	0.273	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-46.2	144.1	169.4	176.4	45	0	0	0	112.4	Y26 C220 I763	Y26-D218 PolarHBondContact OH-OD1 3.49Å; Y26-D218 PolarHBondContact OH-OD2 3.33Å; D218-C220 VanDerWaalsContact C-N 3.27Å; D218-I763 HydrophobicContact CB-CD1 3.84Å; D218-I763 HydrophobicContact CB-CG1 3.52Å; D218-I763 PolarHBondContact N-O 3.32Å
219	G	73.4	Confident	89	Confident	43 Å²	43	20.3 Å²	20.3	44%	0.443	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	74.4	12.5	-167.9	0	0	0	0	0	114.6	L221	G219-L221 PolarHBondContact O-N 2.89Å
220	C	74.3	Confident	88.9	Confident	41 Å²	41	21.1 Å²	21.1	28%	0.277	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	55.4	34.8	-175.2	-60.2	0	0	0	0	113.1	T217 D218 P222	T217-C220 WeakPolarHBondContact O-CA 3.41Å; T217-C220 PolarHBondContact O-N 2.88Å; D218-C220 VanDerWaalsContact C-N 3.27Å; C220-P222 WeakPolarHBondContact O-CD 3.39Å
221	L	80.1	Confident	88.8	Confident	63 Å²	63	22.2 Å²	22.2	33%	0.33	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.9	-179.3	-64.5	173.3	0	0	0	110	T217 G219 L223 R761	T217-L221 PolarHBondContact N-O 2.91Å; T217-L221 PolarHBondContact O-N 3.32Å; T217-L221 PolarHBondContact OG1-O 3Å; G219-L221 PolarHBondContact O-N 2.89Å; L221-L223 HydrophobicContact CB-CG 4.49Å; L221-L223 PolarHBondContact O-N 3.32Å; L221-R761 HydrophobicContact CD1-CG 4.43Å
222	P	88.7	Confident	88.7	Confident	16 Å²	16	21.1 Å²	21.1	10%	0.104	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.9	175.3	31.6	-32.2	0	0	0	109.8	L42 F145 C220	L42-P222 HydrophobicContact CB-CB 4.19Å; L42-P222 WeakPolarHBondContact CB-O 3.17Å; L42-P222 HydrophobicContact CD2-CB 4.31Å; L42-P222 PolarHBondContact N-O 2.74Å; F145-P222 HydrophobicContact CD1-CG 3.65Å; F145-P222 HydrophobicContact CE1-CB 4.45Å; F145-P222 HydrophobicContact CE1-CG 4Å; F145-P222 HydrophobicContact CG-CG 4.35Å; C220-P222 WeakPolarHBondContact O-CD 3.39Å
223	L	93.3	Very high	88.8	Confident	8 Å²	8	20.7 Å²	20.7	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	163	179.4	-55.6	-176.3	0	0	0	110.6	F39 V40 E41 A214 K215 T217 L221 V417 I762	F39-L223 HydrophobicContact CB-CB 4.45Å; F39-L223 HydrophobicContact CB-CD1 4.18Å; F39-L223 HydrophobicContact CD1-CB 3.79Å; F39-L223 HydrophobicContact CD1-CD1 4.01Å; F39-L223 HydrophobicContact CG-CD1 4.38Å; V40-L223 CarbonylContact O-C 3.58Å; V40-L223 WeakPolarHBondContact O-CA 3.25Å; E41-L223 HydrophobicContact CB-CD2 4.23Å; E41-L223 HydrophobicContact CG-CD2 4.46Å; A214-L223 CarbonylContact C-O 3.54Å; A214-L223 WeakPolarHBondContact CA-O 3.26Å; K215-L223 PolarHBondContact N-O 2.91Å; K215-L223 PolarHBondContact O-N 3.24Å; K215-L223 VanDerWaalsContact O-O 3.1Å; T217-L223 HydrophobicContact CG2-CD1 3.77Å; T217-L223 HydrophobicContact CG2-CG 4.31Å; L221-L223 HydrophobicContact CB-CG 4.49Å; L221-L223 PolarHBondContact O-N 3.32Å; L223-V417 HydrophobicContact CD1-CG2 4.35Å; L223-V417 HydrophobicContact CD2-CG2 3.9Å; L223-I762 HydrophobicContact CD1-CD1 3.68Å
224	V	94.7	Very high	88.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.3	169	-178	0	0	0	0	108.3	F39 V40 L42 L169 E213 V226 L412	F39-V224 CarbonylContact C-O 3.54Å; F39-V224 WeakPolarHBondContact CA-O 3.49Å; V40-V224 HydrophobicContact CG2-CB 3.98Å; V40-V224 PolarHBondContact N-O 3.47Å; V40-V224 PolarHBondContact O-N 2.71Å; L42-V224 HydrophobicContact CB-CG2 4.43Å; L42-V224 HydrophobicContact CD1-CG2 4.28Å; L169-V224 HydrophobicContact CD1-CG1 4.16Å; L169-V224 HydrophobicContact CD1-CG2 3.76Å; L169-V224 HydrophobicContact CD2-CG2 4.35Å; E213-V224 CarbonylContact O-C 3.57Å; E213-V224 WeakPolarHBondContact O-CA 3.3Å; V224-V226 HydrophobicContact CG1-CG1 3.92Å; V224-L412 HydrophobicContact CB-CD2 4.06Å; V224-L412 HydrophobicContact CG2-CD2 3.54Å
225	N	95	Very high	88.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.2	168.8	-172.9	9.7	0	0	0	108.6	N38 F39 T212 E213 H731	N38-N225 VanDerWaalsContact CG-OD1 3.28Å; N38-N225 PolarHBondContact ND2-OD1 2.62Å; N38-N225 PolarHBondContact OD1-OD1 2.85Å; F39-N225 HydrophobicContact CD1-CB 4.07Å; F39-N225 HydrophobicContact CE1-CB 3.69Å; F39-N225 HydrophobicContact CE2-CB 4.25Å; F39-N225 HydrophobicContact CZ-CB 3.79Å; T212-N225 WeakPolarHBondContact CA-O 3.1Å; E213-N225 PolarHBondContact N-O 2.91Å; E213-N225 PolarHBondContact O-N 3.39Å; N225-H731 VanDerWaalsContact ND2-C 3.34Å; N225-H731 WeakPolarHBondContact ND2-CB 3.24Å; N225-H731 PolarHBondContact ND2-O 3.43Å; N225-H731 PolarHBondContact OD1-O 2.85Å; N225-H731 VanDerWaalsContact OD1-O 3.11Å
226	V	94.6	Very high	88.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.3	177.8	-63.2	0	0	0	0	110.2	N38 V40 L210 F211 T212 V224 M394 F416	N38-V226 WeakPolarHBondContact CB-O 3.38Å; N38-V226 PolarHBondContact ND2-O 2.73Å; N38-V226 VanDerWaalsContact O-CG2 3.26Å; N38-V226 WeakPolarHBondContact O-CG2 3.47Å; N38-V226 PolarHBondContact O-N 3.34Å; V40-V226 HydrophobicContact CG1-CG2 4.17Å; V40-V226 HydrophobicContact CG2-CG1 4.14Å; L210-V226 HydrophobicContact CD1-CB 4.42Å; F211-V226 WeakPolarHBondContact O-CA 3.5Å; T212-V226 HydrophobicContact CG2-CG1 4.05Å; V224-V226 HydrophobicContact CG1-CG1 3.92Å; V226-M394 HydrophobicContact CB-SD 4.41Å; V226-M394 HydrophobicContact CG1-SD 4.17Å; V226-M394 HydrophobicContact CG2-SD 4Å; V226-F416 HydrophobicContact CG2-CE1 3.64Å; V226-F416 HydrophobicContact CG2-CZ 4.46Å
227	D	94	Very high	89.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.9	-171.5	-168	37.5	0	0	0	113.6	L210 F211 R386 H731 Y733	L210-D227 CarbonylContact C-O 3.5Å; L210-D227 WeakPolarHBondContact CA-O 3.4Å; F211-D227 HydrophobicContact CB-CB 4.22Å; F211-D227 HydrophobicContact CD1-CB 4.14Å; F211-D227 PolarHBondContact N-O 2.91Å; F211-D227 PolarHBondContact O-N 2.92Å; D227-R386 IonicContact OD1-CZ 3.21Å; D227-R386 IonicContact OD1-NE 3.74Å; D227-R386 PolarHBondContact OD1-NE 3.33Å; D227-R386 IonicContact OD1-NH2 3.95Å; D227-R386 PolarHBondContact OD1-NH2 3Å; D227-R386 IonicContact OD2-CZ 4Å; D227-R386 IonicContact OD2-NH2 2.66Å; D227-R386 PolarHBondContact OD2-NH2 3.3Å; D227-H731 HydrophobicContact CB-CB 3.91Å; D227-H731 IonicContact OD2-CE1 2.61Å; D227-H731 IonicContact OD2-CG 2.87Å; D227-H731 IonicContact OD2-ND1 3.37Å; D227-H731 PolarHBondContact OD2-ND1 3.49Å; D227-Y733 VanDerWaalsContact CG-CE2 3.49Å; D227-Y733 WeakPolarHBondContact OD1-CD2 3.44Å; D227-Y733 WeakPolarHBondContact OD1-CE2 3.28Å; D227-Y733 WeakPolarHBondContact OD2-CE2 3.4Å
228	L	91.8	Very high	89.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.3	-175.9	-167.9	67.9	0	0	0	111.4	R208 Y230 R386 H389 M393	R208-L228 HydrophobicContact CG-CD1 3.63Å; R208-L228 HydrophobicContact CG-CG 4.36Å; L228-Y230 HydrophobicContact CD2-CE2 3.69Å; L228-Y230 WeakPolarHBondContact CD2-OH 3.44Å; L228-Y230 HydrophobicContact CG-CE2 3.8Å; L228-R386 HydrophobicContact CB-CG 3.94Å; L228-R386 HydrophobicContact CD2-CG 4.41Å; L228-R386 PolarHBondContact O-NH1 3.35Å; L228-R386 VanDerWaalsContact O-NH1 3.14Å; L228-R386 PolarHBondContact O-NH2 3.37Å; L228-H389 HydrophobicContact CD1-CB 4.19Å; L228-H389 HydrophobicContact CD2-CB 3.77Å; L228-M393 HydrophobicContact CD1-CG 4.44Å
229	T	91.2	Very high	90.6	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.153	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.3	-177.4	-58.6	0	0	0	0	110.8	T190 F192 R208 G209	T190-T229 HydrophobicContact CG2-CG2 4.21Å; F192-T229 HydrophobicContact CE1-CG2 4.12Å; F192-T229 HydrophobicContact CZ-CG2 3.97Å; R208-T229 CarbonylContact C-O 3.47Å; G209-T229 PolarHBondContact N-O 3.43Å; G209-T229 PolarHBondContact O-N 3.11Å
230	Y	90.7	Very high	91.7	Very high	17 Å²	17	22.6 Å²	22.6	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	173	-65.8	-93.4	0	0	0	109.3	I206 R207 R208 L228 G378 R379 I381	I206-Y230 HydrophobicContact CG2-CD1 3.71Å; I206-Y230 HydrophobicContact CG2-CG 4.29Å; R207-Y230 WeakPolarHBondContact O-CA 3.35Å; R208-Y230 HydrophobicContact CB-CD1 4.37Å; R208-Y230 HydrophobicContact CB-CE1 4.11Å; R208-Y230 HydrophobicContact CG-CE1 4Å; L228-Y230 HydrophobicContact CD2-CE2 3.69Å; L228-Y230 WeakPolarHBondContact CD2-OH 3.44Å; L228-Y230 HydrophobicContact CG-CE2 3.8Å; Y230-G378 VanDerWaalsContact CE2-O 3.26Å; Y230-G378 WeakPolarHBondContact CE2-O 3.43Å; Y230-R379 HydrophobicContact CD2-CG 4.11Å; Y230-R379 HydrophobicContact CG-CG 4.37Å; Y230-R379 PolarHBondContact O-NE 3.35Å; Y230-R379 VanDerWaalsContact O-NE 3.14Å; Y230-R379 PolarHBondContact O-NH2 2.94Å; Y230-I381 HydrophobicContact CE2-CD1 4.14Å; Y230-I381 WeakPolarHBondContact OH-CD1 3.32Å
231	E	90.6	Very high	92.7	Very high	24 Å²	24	23.1 Å²	23.1	11%	0.112	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.6	178.8	-172	53.7	-88	0	0	110.5	F192 I206 R207 F233 R361	F192-E231 HydrophobicContact CD1-CB 4.37Å; F192-E231 HydrophobicContact CE1-CB 3.47Å; F192-E231 VanDerWaalsContact CE1-CB 3.47Å; F192-E231 HydrophobicContact CZ-CB 3.6Å; F192-E231 HydrophobicContact CZ-CG 4.43Å; I206-E231 WeakPolarHBondContact CA-O 3.37Å; R207-E231 PolarHBondContact N-O 3.41Å; R207-E231 PolarHBondContact O-N 3.04Å; R207-E231 VanDerWaalsContact O-N 3.09Å; E231-F233 HydrophobicContact CB-CE2 4Å; E231-F233 HydrophobicContact CG-CE2 4.28Å; E231-F233 WeakPolarHBondContact O-CD2 3.27Å; E231-R361 HydrophobicContact CG-CG 4.14Å; E231-R361 IonicContact OE2-CZ 3.5Å; E231-R361 IonicContact OE2-NE 3.68Å; E231-R361 PolarHBondContact OE2-NE 2.92Å; E231-R361 IonicContact OE2-NH2 2.82Å; E231-R361 PolarHBondContact OE2-NH2 3.22Å
232	T	93	Very high	93.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136	179.8	53.2	0	0	0	0	111.4	L200 E205 I206 Y362 L367 L375	L200-T232 HydrophobicContact CD1-CG2 3.59Å; E205-T232 CarbonylContact O-C 3.59Å; E205-T232 WeakPolarHBondContact O-CA 3.23Å; I206-T232 HydrophobicContact CG1-CG2 4.19Å; T232-Y362 WeakPolarHBondContact O-CB 3.42Å; T232-Y362 PolarHBondContact O-N 3.47Å; T232-L367 HydrophobicContact CG2-CD1 3.95Å; T232-L367 HydrophobicContact CG2-CD2 4.26Å; T232-L375 HydrophobicContact CG2-CD1 4.05Å; T232-L375 HydrophobicContact CG2-CD2 3.86Å; T232-L375 HydrophobicContact CG2-CG 4.41Å
233	F	93.6	Very high	93.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.6	177.7	-70.7	-100.4	0	0	0	109.2	I187 F192 A204 E205 R207 E231 L360	I187-F233 HydrophobicContact CD1-CE1 3.58Å; I187-F233 HydrophobicContact CD1-CZ 3.64Å; F192-F233 HydrophobicContact CB-CE2 4.35Å; F192-F233 HydrophobicContact CB-CZ 4.05Å; F192-F233 AromaticContact CD1-CE2 3.89Å; F192-F233 HydrophobicContact CD1-CE2 3.89Å; F192-F233 HydrophobicContact CD1-CZ 4.17Å; F192-F233 HydrophobicContact CD2-CE2 4.48Å; F192-F233 AromaticContact CD2-CZ 3.96Å; F192-F233 HydrophobicContact CD2-CZ 3.96Å; F192-F233 HydrophobicContact CE1-CE2 4.32Å; F192-F233 HydrophobicContact CE2-CZ 4.47Å; F192-F233 AromaticContact CG-CE2 3.98Å; F192-F233 HydrophobicContact CG-CE2 3.98Å; F192-F233 AromaticContact CG-CZ 3.78Å; F192-F233 HydrophobicContact CG-CZ 3.78Å; A204-F233 WeakPolarHBondContact CA-O 3.02Å; E205-F233 HydrophobicContact CG-CB 4.27Å; E205-F233 PolarHBondContact N-O 3.31Å; E205-F233 PolarHBondContact O-N 3.08Å; R207-F233 HydrophobicContact CB-CD2 3.67Å; R207-F233 HydrophobicContact CB-CE2 3.74Å; R207-F233 HydrophobicContact CG-CB 4.32Å; R207-F233 HydrophobicContact CG-CD2 3.51Å; R207-F233 HydrophobicContact CG-CE2 4.05Å; R207-F233 HydrophobicContact CG-CG 4.05Å; E231-F233 HydrophobicContact CB-CE2 4Å; E231-F233 HydrophobicContact CG-CE2 4.28Å; E231-F233 WeakPolarHBondContact O-CD2 3.27Å; F233-L360 CarbonylContact C-O 3.57Å; F233-L360 WeakPolarHBondContact CA-O 3.49Å
234	Y	93.9	Very high	93.8	Very high	6 Å²	6	19.1 Å²	19.1	2%	0.024	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.6	164.6	-67.1	-85.6	0	0	0	109.4	Y242 L282 I356 L360 R361 Y362	Y234-Y242 HydrophobicContact CD1-CE2 4.01Å; Y234-Y242 HydrophobicContact CE1-CE2 4.14Å; Y234-Y242 AromaticContact CE1-CZ 3.93Å; Y234-Y242 WeakPolarHBondContact CE1-OH 3.29Å; Y234-L282 HydrophobicContact CD1-CD1 3.71Å; Y234-L282 HydrophobicContact CD2-CD1 3.76Å; Y234-L282 HydrophobicContact CE1-CD1 3.59Å; Y234-L282 HydrophobicContact CE2-CD1 3.6Å; Y234-L282 HydrophobicContact CG-CD1 3.81Å; Y234-I356 HydrophobicContact CG-CG2 4.36Å; Y234-L360 HydrophobicContact CD2-CB 4.21Å; Y234-L360 HydrophobicContact CD2-CD2 3.69Å; Y234-L360 HydrophobicContact CD2-CG 3.74Å; Y234-L360 HydrophobicContact CE2-CD2 4.16Å; Y234-L360 HydrophobicContact CE2-CG 4.31Å; Y234-L360 HydrophobicContact CG-CD2 4.35Å; Y234-L360 PolarHBondContact N-O 2.89Å; Y234-R361 WeakPolarHBondContact CD2-O 3.39Å; Y234-R361 VanDerWaalsContact CE2-O 3.24Å; Y234-R361 WeakPolarHBondContact CE2-O 3.43Å; Y234-Y362 AromaticContact CD1-CD2 3.3Å; Y234-Y362 HydrophobicContact CD1-CD2 3.3Å; Y234-Y362 AromaticContact CD1-CE2 3.32Å; Y234-Y362 HydrophobicContact CD1-CE2 3.32Å; Y234-Y362 HydrophobicContact CD1-CG 4.34Å; Y234-Y362 HydrophobicContact CD2-CD2 4Å; Y234-Y362 HydrophobicContact CD2-CG 4.42Å; Y234-Y362 AromaticContact CE1-CD2 3.32Å; Y234-Y362 HydrophobicContact CE1-CD2 3.32Å; Y234-Y362 HydrophobicContact CE1-CE1 4.48Å; Y234-Y362 AromaticContact CE1-CE2 3.13Å; Y234-Y362 HydrophobicContact CE1-CE2 3.13Å; Y234-Y362 HydrophobicContact CE1-CG 4.09Å; Y234-Y362 AromaticContact CE1-CZ 3.78Å; Y234-Y362 HydrophobicContact CE2-CD2 4.06Å; Y234-Y362 HydrophobicContact CE2-CG 4.23Å; Y234-Y362 AromaticContact CG-CD2 3.64Å; Y234-Y362 HydrophobicContact CG-CD2 3.64Å; Y234-Y362 HydrophobicContact CG-CE2 4.15Å; Y234-Y362 HydrophobicContact CG-CG 4.49Å; Y234-Y362 AromaticContact CZ-CD2 3.72Å; Y234-Y362 AromaticContact CZ-CE2 3.88Å
235	R	93.2	Very high	93.7	Very high	91 Å²	91	20.2 Å²	20.2	34%	0.343	9%	0.094	S	C	.	.			trans	-66.3	131.5	170	-174.7	175.9	85.9	135.1	-5.1	109.3	G203 Q237 D245	G203-R235 PolarHBondContact O-N 3.35Å; R235-Q237 VanDerWaalsContact CZ-OE1 3.28Å; R235-Q237 VanDerWaalsContact NE-OE1 3.1Å; R235-Q237 WeakPolarHBondContact O-CG 3.28Å; R235-Q237 PolarHBondContact O-N 3.26Å; R235-Q237 VanDerWaalsContact O-N 3.14Å; R235-D245 IonicContact NH2-OD2 2.7Å
236	R	92.6	Very high	93.6	Very high	127 Å²	127	20.6 Å²	20.6	48%	0.479	10%	0.096	S	C	.	.			trans	-60.9	115.6	167.5	178.2	-178	-179.2	79.4	-8.1	109.8	I356 E358	R236-I356 WeakPolarHBondContact CA-O 3.29Å; R236-I356 WeakPolarHBondContact CG-O 3.28Å; R236-E358 HydrophobicContact CB-CB 4.31Å
237	Q	94.1	Very high	93.4	Very high	11 Å²	11	21 Å²	21	5%	0.051	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	163.8	-179.4	62.5	-173.7	-28.1	0	0	112.3	R235 Q241 D245 L355 I356	R235-Q237 VanDerWaalsContact CZ-OE1 3.28Å; R235-Q237 VanDerWaalsContact NE-OE1 3.1Å; R235-Q237 WeakPolarHBondContact O-CG 3.28Å; R235-Q237 PolarHBondContact O-N 3.26Å; R235-Q237 VanDerWaalsContact O-N 3.14Å; Q237-Q241 VanDerWaalsContact OE1-CG 3.24Å; Q237-D245 PolarHBondContact NE2-OD2 3.42Å; Q237-D245 VanDerWaalsContact NE2-OD2 3.15Å; Q237-D245 PolarHBondContact OE1-OD2 3.41Å; Q237-L355 VanDerWaalsContact C-CD1 3.47Å; Q237-L355 WeakPolarHBondContact O-CD1 3.45Å; Q237-I356 HydrophobicContact CG-CD1 4.31Å; Q237-I356 PolarHBondContact O-N 2.72Å
238	A	95.1	Very high	93.2	Very high	36 Å²	36	21.9 Å²	21.9	30%	0.298	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	138.7	169.3	0	0	0	0	0	110	L240 Q241 Y242	A238-L240 PolarHBondContact O-N 3.21Å; A238-Q241 HydrophobicContact CB-CB 4.43Å; A238-Q241 WeakPolarHBondContact O-CA 2.94Å; A238-Q241 WeakPolarHBondContact O-CB 3.4Å; A238-Q241 PolarHBondContact O-N 3.05Å; A238-Y242 PolarHBondContact O-N 2.89Å
239	L	95.7	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-31.3	-177.8	-170.1	64.3	0	0	0	111.7	Y242 I243 L279 L282 V284 I297 V338 V351 C354 I356	L239-Y242 HydrophobicContact CD1-CD1 4Å; L239-Y242 WeakPolarHBondContact O-CB 3.33Å; L239-Y242 PolarHBondContact O-N 2.93Å; L239-I243 WeakPolarHBondContact O-CG1 3.47Å; L239-I243 PolarHBondContact O-N 2.75Å; L239-L279 HydrophobicContact CD1-CD2 3.6Å; L239-L279 HydrophobicContact CD2-CD2 4.1Å; L239-L279 HydrophobicContact CG-CD2 4Å; L239-L282 HydrophobicContact CD1-CD2 3.67Å; L239-V284 HydrophobicContact CD1-CG1 4.01Å; L239-V284 HydrophobicContact CD2-CG1 4.19Å; L239-I297 HydrophobicContact CD2-CD1 4.17Å; L239-V338 HydrophobicContact CD2-CG1 3.87Å; L239-V338 HydrophobicContact CD2-CG2 4.13Å; L239-V351 HydrophobicContact CD2-CB 4.24Å; L239-V351 HydrophobicContact CD2-CG1 3.94Å; L239-V351 HydrophobicContact CG-CB 4.44Å; L239-V351 HydrophobicContact CG-CG1 4.41Å; L239-C354 HydrophobicContact CB-CB 3.65Å; L239-C354 WeakPolarHBondContact CB-O 3.36Å; L239-C354 HydrophobicContact CD2-CB 3.53Å; L239-C354 HydrophobicContact CG-CB 4.24Å; L239-C354 PolarHBondContact N-O 3.17Å; L239-I356 HydrophobicContact CD1-CD1 4.08Å; L239-I356 HydrophobicContact CD1-CG1 3.96Å
240	L	94.8	Very high	92.2	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-38.8	171.7	-174.3	63	0	0	0	113.1	A238 I243 C244 V258 I261 Y332 M335 V351	A238-L240 PolarHBondContact O-N 3.21Å; L240-I243 PolarHBondContact O-N 3.48Å; L240-C244 PolarHBondContact O-N 2.79Å; L240-C244 PolarHBondContact O-SG 3.32Å; L240-C244 VanDerWaalsContact O-SG 3.39Å; L240-V258 HydrophobicContact CD2-CG1 3.91Å; L240-V258 HydrophobicContact CG-CG1 4.49Å; L240-V258 HydrophobicContact CG-CG2 4.26Å; L240-I261 HydrophobicContact CD1-CD1 3.78Å; L240-I261 HydrophobicContact CD2-CD1 4.33Å; L240-I261 HydrophobicContact CG-CD1 4.09Å; L240-Y332 HydrophobicContact CD2-CD2 3.33Å; L240-Y332 HydrophobicContact CD2-CE2 3.34Å; L240-Y332 HydrophobicContact CD2-CG 4.18Å; L240-M335 HydrophobicContact CD1-CE 3.45Å; L240-M335 VanDerWaalsContact CD1-CE 3.45Å; L240-M335 HydrophobicContact CD1-CG 4.17Å; L240-V351 HydrophobicContact CD1-CG2 3.97Å
241	Q	95.4	Very high	91.3	Very high	51 Å²	51	33.2 Å²	33.2	24%	0.238	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-39.9	174.3	-177.9	61.3	58	0	0	110.8	Q237 A238 I243 C244 D245 V258	Q237-Q241 VanDerWaalsContact OE1-CG 3.24Å; A238-Q241 HydrophobicContact CB-CB 4.43Å; A238-Q241 WeakPolarHBondContact O-CA 2.94Å; A238-Q241 WeakPolarHBondContact O-CB 3.4Å; A238-Q241 PolarHBondContact O-N 3.05Å; Q241-I243 VanDerWaalsContact C-N 3.31Å; Q241-I243 PolarHBondContact O-N 2.8Å; Q241-C244 WeakPolarHBondContact O-CB 3.46Å; Q241-C244 PolarHBondContact O-N 2.95Å; Q241-C244 VanDerWaalsContact O-N 3.11Å; Q241-D245 PolarHBondContact NE2-OD1 3.33Å; Q241-D245 VanDerWaalsContact O-CG 3.3Å; Q241-D245 PolarHBondContact O-N 3.09Å; Q241-V258 HydrophobicContact CB-CG2 4.17Å; Q241-V258 VanDerWaalsContact OE1-CG2 3.26Å
242	Y	95.8	Very high	90	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-42.7	174	175.9	-111.4	0	0	0	112.3	G202 Y234 A238 L239 C244 D245 V246 A278 L279 L282 I356 Y362	G202-Y242 WeakPolarHBondContact O-CE2 3.36Å; Y234-Y242 HydrophobicContact CD1-CE2 4.01Å; Y234-Y242 HydrophobicContact CE1-CE2 4.14Å; Y234-Y242 AromaticContact CE1-CZ 3.93Å; Y234-Y242 WeakPolarHBondContact CE1-OH 3.29Å; A238-Y242 PolarHBondContact O-N 2.89Å; L239-Y242 HydrophobicContact CD1-CD1 4Å; L239-Y242 WeakPolarHBondContact O-CB 3.33Å; L239-Y242 PolarHBondContact O-N 2.93Å; Y242-C244 VanDerWaalsContact C-N 3.31Å; Y242-C244 PolarHBondContact O-N 3.32Å; Y242-D245 PolarHBondContact O-N 3.09Å; Y242-D245 VanDerWaalsContact O-N 3.15Å; Y242-V246 HydrophobicContact CD1-CG2 4.27Å; Y242-V246 HydrophobicContact CD2-CG2 4.09Å; Y242-V246 HydrophobicContact CE1-CG2 3.83Å; Y242-V246 HydrophobicContact CE2-CG2 3.6Å; Y242-V246 HydrophobicContact CG-CG2 4.39Å; Y242-V246 VanDerWaalsContact CZ-CG2 3.46Å; Y242-V246 WeakPolarHBondContact O-CG2 3.37Å; Y242-V246 PolarHBondContact O-N 3.11Å; Y242-A278 HydrophobicContact CE1-CB 4.33Å; Y242-L279 HydrophobicContact CD1-CD2 4.32Å; Y242-L279 HydrophobicContact CE1-CD2 4.4Å; Y242-L282 HydrophobicContact CD1-CD2 4.12Å; Y242-L282 HydrophobicContact CE1-CD2 3.91Å; Y242-I356 HydrophobicContact CD1-CD1 3.89Å; Y242-I356 HydrophobicContact CD2-CD1 3.77Å; Y242-I356 HydrophobicContact CE2-CD1 4.45Å; Y242-I356 HydrophobicContact CG-CD1 3.45Å; Y242-I356 VanDerWaalsContact CG-CD1 3.45Å; Y242-Y362 HydrophobicContact CE2-CE2 4.48Å; Y242-Y362 PolarHBondContact OH-OH 2.73Å
243	I	95.1	Very high	88.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-46.7	173.9	-72.4	170.2	0	0	0	110.7	L239 L240 Q241 D245 V246 L247 I275 M335 V351	L239-I243 WeakPolarHBondContact O-CG1 3.47Å; L239-I243 PolarHBondContact O-N 2.75Å; L240-I243 PolarHBondContact O-N 3.48Å; Q241-I243 VanDerWaalsContact C-N 3.31Å; Q241-I243 PolarHBondContact O-N 2.8Å; I243-D245 VanDerWaalsContact C-N 3.34Å; I243-D245 PolarHBondContact O-N 3.3Å; I243-V246 PolarHBondContact O-N 3.01Å; I243-L247 HydrophobicContact CG2-CD1 4.2Å; I243-L247 WeakPolarHBondContact O-CG 3.36Å; I243-L247 PolarHBondContact O-N 2.82Å; I243-I275 HydrophobicContact CB-CD1 4.2Å; I243-I275 HydrophobicContact CD1-CG2 4.13Å; I243-I275 HydrophobicContact CG1-CD1 4.25Å; I243-I275 HydrophobicContact CG1-CG2 3.92Å; I243-I275 HydrophobicContact CG2-CD1 3.81Å; I243-I275 HydrophobicContact CG2-CG1 4.03Å; I243-I275 HydrophobicContact CG2-CG2 4.49Å; I243-M335 HydrophobicContact CG2-CE 4.01Å; I243-V351 HydrophobicContact CD1-CB 4Å; I243-V351 HydrophobicContact CD1-CG1 3.69Å; I243-V351 HydrophobicContact CD1-CG2 4.06Å
244	C	94.2	Very high	87.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.8	-63.9	0	0	0	0	111.5	L240 Q241 Y242 V246 L247 N248	L240-C244 PolarHBondContact O-N 2.79Å; L240-C244 PolarHBondContact O-SG 3.32Å; L240-C244 VanDerWaalsContact O-SG 3.39Å; Q241-C244 WeakPolarHBondContact O-CB 3.46Å; Q241-C244 PolarHBondContact O-N 2.95Å; Q241-C244 VanDerWaalsContact O-N 3.11Å; Y242-C244 VanDerWaalsContact C-N 3.31Å; Y242-C244 PolarHBondContact O-N 3.32Å; C244-V246 PolarHBondContact O-N 2.84Å; C244-L247 PolarHBondContact O-N 3.03Å; C244-N248 WeakPolarHBondContact O-CB 3.43Å; C244-N248 PolarHBondContact O-N 3.48Å; C244-N248 PolarHBondContact O-ND2 3.26Å
245	D	93.3	Very high	86.7	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-43	-179.2	-65.1	-8.8	0	0	0	111.6	G202 R235 Q237 Q241 Y242 I243 N248 S249	G202-D245 WeakPolarHBondContact CA-O 2.92Å; R235-D245 IonicContact NH2-OD2 2.7Å; Q237-D245 PolarHBondContact NE2-OD2 3.42Å; Q237-D245 VanDerWaalsContact NE2-OD2 3.15Å; Q237-D245 PolarHBondContact OE1-OD2 3.41Å; Q241-D245 PolarHBondContact NE2-OD1 3.33Å; Q241-D245 VanDerWaalsContact O-CG 3.3Å; Q241-D245 PolarHBondContact O-N 3.09Å; Y242-D245 PolarHBondContact O-N 3.09Å; Y242-D245 VanDerWaalsContact O-N 3.15Å; I243-D245 VanDerWaalsContact C-N 3.34Å; I243-D245 PolarHBondContact O-N 3.3Å; D245-N248 PolarHBondContact O-N 2.95Å; D245-S249 WeakPolarHBondContact O-CB 3.43Å; D245-S249 PolarHBondContact O-N 3.3Å
246	V	92.6	Very high	86.2	Confident	8 Å²	8	63.2 Å²	63.2	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.9	172.7	0	0	0	0	111.8	Y242 I243 C244 S249 I274 I275 A278	Y242-V246 HydrophobicContact CD1-CG2 4.27Å; Y242-V246 HydrophobicContact CD2-CG2 4.09Å; Y242-V246 HydrophobicContact CE1-CG2 3.83Å; Y242-V246 HydrophobicContact CE2-CG2 3.6Å; Y242-V246 HydrophobicContact CG-CG2 4.39Å; Y242-V246 VanDerWaalsContact CZ-CG2 3.46Å; Y242-V246 WeakPolarHBondContact O-CG2 3.37Å; Y242-V246 PolarHBondContact O-N 3.11Å; I243-V246 PolarHBondContact O-N 3.01Å; C244-V246 PolarHBondContact O-N 2.84Å; V246-S249 PolarHBondContact O-OG 3.13Å; V246-I274 HydrophobicContact CG1-CG2 3.99Å; V246-I275 HydrophobicContact CB-CD1 3.95Å; V246-I275 HydrophobicContact CG1-CD1 3.83Å; V246-A278 HydrophobicContact CG1-CB 4.04Å; V246-A278 HydrophobicContact CG2-CB 4.32Å
247	L	91.2	Very high	85.9	Confident	9 Å²	9	58 Å²	58	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-40	175.6	-67.6	176.8	0	0	0	111.4	I243 C244 Q251 Y256 L267 E271 I275	I243-L247 HydrophobicContact CG2-CD1 4.2Å; I243-L247 WeakPolarHBondContact O-CG 3.36Å; I243-L247 PolarHBondContact O-N 2.82Å; C244-L247 PolarHBondContact O-N 3.03Å; L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L247-Y256 HydrophobicContact CB-CD2 3.59Å; L247-Y256 HydrophobicContact CB-CE2 3.86Å; L247-Y256 HydrophobicContact CB-CG 4.06Å; L247-Y256 HydrophobicContact CD1-CD1 3.95Å; L247-Y256 HydrophobicContact CD1-CD2 4.34Å; L247-Y256 HydrophobicContact CD1-CE1 4.01Å; L247-Y256 HydrophobicContact CD1-CE2 4.43Å; L247-Y256 HydrophobicContact CD1-CG 4.14Å; L247-L267 HydrophobicContact CD1-CD2 3.93Å; L247-E271 HydrophobicContact CD2-CB 3.88Å; L247-E271 HydrophobicContact CD2-CG 3.95Å; L247-I275 HydrophobicContact CD2-CD1 4.01Å; L247-I275 HydrophobicContact CD2-CG1 3.93Å; L247-I275 HydrophobicContact CG-CD1 3.96Å; L247-I275 HydrophobicContact CG-CG1 4.21Å
248	N	89.9	Confident	85.5	Confident	18 Å²	18	59.1 Å²	59.1	10%	0.096	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-32.9	178	-72.3	-42.3	0	0	0	113.3	C244 D245 R250 Q251 Q254 R255 Y256	C244-N248 WeakPolarHBondContact O-CB 3.43Å; C244-N248 PolarHBondContact O-N 3.48Å; C244-N248 PolarHBondContact O-ND2 3.26Å; D245-N248 PolarHBondContact O-N 2.95Å; N248-R250 PolarHBondContact O-N 3Å; N248-R250 VanDerWaalsContact O-N 3.12Å; N248-Q251 PolarHBondContact O-N 3.4Å; N248-Q251 VanDerWaalsContact O-O 3.13Å; N248-Q254 HydrophobicContact CB-CG 4.46Å; N248-R255 PolarHBondContact OD1-N 2.92Å; N248-Y256 PolarHBondContact ND2-O 2.91Å; N248-Y256 PolarHBondContact OD1-N 2.9Å
249	S	83.9	Confident	85.2	Confident	32 Å²	32	66.7 Å²	66.7	22%	0.224	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.8	-177	70	0	0	0	0	113.7	D245 V246	D245-S249 WeakPolarHBondContact O-CB 3.43Å; D245-S249 PolarHBondContact O-N 3.3Å; V246-S249 PolarHBondContact O-OG 3.13Å
250	R	77.1	Confident	84.7	Confident	139 Å²	139	72.3 Å²	72.3	53%	0.525	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.7	176.9	-62.9	179.3	177.8	-104.5	0.1	113.4	N248 L368	N248-R250 PolarHBondContact O-N 3Å; N248-R250 VanDerWaalsContact O-N 3.12Å; R250-L368 HydrophobicContact CG-CD1 4.4Å
251	Q	72.4	Confident	84.3	Confident	111 Å²	111	73 Å²	73	52%	0.519	33%	0.332	S	S	.	.	S	Bend	trans	-120	149.6	-175.6	-61.7	-64.3	-36.8	0	0	110.5	L247 N248	L247-Q251 WeakPolarHBondContact O-CG 3.46Å; N248-Q251 PolarHBondContact O-N 3.4Å; N248-Q251 VanDerWaalsContact O-O 3.13Å
252	Q	63.9	Low	84.1	Confident	202 Å²	202	76.8 Å²	76.8	94%	0.944	35%	0.35	S	S	*	.	S	Bend	trans	-77.2	-27.3	-179.2	-158.2	171.9	10.7	0	0	112.5
253	K	69.9	Low	83.6	Confident	180 Å²	180	80.3 Å²	80.3	78%	0.783	37%	0.374	S	S	*	.	S	Bend	trans	-119.9	140.4	173.6	-69.7	-174.4	179.8	-179.2	0	109.7	R255	K253-R255 PolarHBondContact O-N 2.8Å; K253-R255 VanDerWaalsContact O-N 3.17Å
254	Q	69.1	Low	83.2	Confident	148 Å²	148	85.3 Å²	85.3	69%	0.692	40%	0.401	S	S	*	.			trans	-62.2	116.8	173.7	-168.7	172.4	8.5	0	0	109.1	N248	N248-Q254 HydrophobicContact CB-CG 4.46Å
255	R	72.5	Confident	83	Confident	172 Å²	172	87.6 Å²	87.6	65%	0.649	42%	0.415	S	S	*	.			trans	-111.3	-24.4	-177.2	-174.7	177.1	-179.1	176.4	-0.2	112.3	N248 K253 Q260	N248-R255 PolarHBondContact OD1-N 2.92Å; K253-R255 PolarHBondContact O-N 2.8Å; K253-R255 VanDerWaalsContact O-N 3.17Å; R255-Q260 PolarHBondContact O-OE1 2.99Å
256	Y	81.4	Confident	82.8	Confident	50 Å²	50	88.6 Å²	88.6	20%	0.196	43%	0.426	C	S	.	.			trans	-113.1	127.2	-175.7	-56.2	-90.7	0	0	0	110.1	L247 N248 E271	L247-Y256 HydrophobicContact CB-CD2 3.59Å; L247-Y256 HydrophobicContact CB-CE2 3.86Å; L247-Y256 HydrophobicContact CB-CG 4.06Å; L247-Y256 HydrophobicContact CD1-CD1 3.95Å; L247-Y256 HydrophobicContact CD1-CD2 4.34Å; L247-Y256 HydrophobicContact CD1-CE1 4.01Å; L247-Y256 HydrophobicContact CD1-CE2 4.43Å; L247-Y256 HydrophobicContact CD1-CG 4.14Å; N248-Y256 PolarHBondContact ND2-O 2.91Å; N248-Y256 PolarHBondContact OD1-N 2.9Å; Y256-E271 WeakPolarHBondContact CE1-OE1 3.43Å; Y256-E271 PolarHBondContact OH-OE1 3.49Å
257	A	86.7	Confident	82.7	Confident	17 Å²	17	89.3 Å²	89.3	14%	0.14	43%	0.43	C	S	.	.			trans	-137.7	144.7	166.2	0	0	0	0	0	108.2	K259 Q260	A257-K259 HydrophobicContact CB-CG 3.91Å; A257-K259 PolarHBondContact O-N 3.21Å; A257-K259 VanDerWaalsContact O-N 3.12Å; A257-Q260 HydrophobicContact CB-CG 4.37Å; A257-Q260 WeakPolarHBondContact O-CB 3.29Å; A257-Q260 PolarHBondContact O-N 2.64Å
258	V	86.4	Confident	82.6	Confident	35 Å²	35	91.4 Å²	91.4	21%	0.212	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-54.1	-37.8	-179.1	176.4	0	0	0	0	111.5	L240 Q241 Q260 I261	L240-V258 HydrophobicContact CD2-CG1 3.91Å; L240-V258 HydrophobicContact CG-CG1 4.49Å; L240-V258 HydrophobicContact CG-CG2 4.26Å; Q241-V258 HydrophobicContact CB-CG2 4.17Å; Q241-V258 VanDerWaalsContact OE1-CG2 3.26Å; V258-Q260 PolarHBondContact O-N 2.79Å; V258-Q260 VanDerWaalsContact O-N 3.14Å; V258-I261 WeakPolarHBondContact O-CB 3.13Å; V258-I261 PolarHBondContact O-N 2.82Å
259	K	87.4	Confident	82.7	Confident	194 Å²	194	97 Å²	97	84%	0.843	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-62.6	-16	175.9	65.4	178.5	179.6	179	0	115.7	A257	A257-K259 HydrophobicContact CB-CG 3.91Å; A257-K259 PolarHBondContact O-N 3.21Å; A257-K259 VanDerWaalsContact O-N 3.12Å
260	Q	86.1	Confident	82.9	Confident	118 Å²	118	99.2 Å²	99.2	55%	0.551	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-97	-10.6	177.6	-66.5	170.4	-40.6	0	0	112.2	R255 A257 V258 Q262	R255-Q260 PolarHBondContact O-OE1 2.99Å; A257-Q260 HydrophobicContact CB-CG 4.37Å; A257-Q260 WeakPolarHBondContact O-CB 3.29Å; A257-Q260 PolarHBondContact O-N 2.64Å; V258-Q260 PolarHBondContact O-N 2.79Å; V258-Q260 VanDerWaalsContact O-N 3.14Å; Q260-Q262 PolarHBondContact O-N 3.13Å
261	I	86.7	Confident	83.6	Confident	23 Å²	23	94 Å²	94	12%	0.118	47%	0.472	C	S	.	.			trans	-74.6	123.3	178.4	-56.7	-178.6	0	0	0	107.7	L240 V258 T265 Y332 M335	L240-I261 HydrophobicContact CD1-CD1 3.78Å; L240-I261 HydrophobicContact CD2-CD1 4.33Å; L240-I261 HydrophobicContact CG-CD1 4.09Å; V258-I261 WeakPolarHBondContact O-CB 3.13Å; V258-I261 PolarHBondContact O-N 2.82Å; I261-T265 HydrophobicContact CG2-CG2 4.13Å; I261-Y332 HydrophobicContact CB-CD1 4.14Å; I261-Y332 HydrophobicContact CB-CE1 4Å; I261-Y332 HydrophobicContact CG2-CD1 3.46Å; I261-Y332 VanDerWaalsContact CG2-CD1 3.46Å; I261-Y332 HydrophobicContact CG2-CE1 3.85Å; I261-Y332 HydrophobicContact CG2-CG 4.07Å; I261-Y332 WeakPolarHBondContact O-CE1 3.36Å; I261-M335 HydrophobicContact CD1-CE 4.4Å; I261-M335 HydrophobicContact CG2-CG 4.27Å
262	Q	89.8	Confident	84.6	Confident	130 Å²	130	90.4 Å²	90.4	61%	0.607	45%	0.454	S	S	*	.			trans	-96.7	165.8	172.4	-59.2	-176.8	28.1	0	0	109.7	Q260 D264 T265	Q260-Q262 PolarHBondContact O-N 3.13Å; Q262-D264 WeakPolarHBondContact CB-OD1 2.84Å; Q262-D264 PolarHBondContact O-N 2.85Å; Q262-T265 PolarHBondContact N-OG1 2.89Å; Q262-T265 VanDerWaalsContact O-CB 3.27Å; Q262-T265 WeakPolarHBondContact O-CB 3.19Å; Q262-T265 PolarHBondContact O-N 3.16Å; Q262-T265 PolarHBondContact O-OG1 2.99Å
263	S	86.5	Confident	85.9	Confident	74 Å²	74	88.4 Å²	88.4	52%	0.517	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.3	-176.8	53.1	0	0	0	0	113.9	Q331 P333	S263-Q331 WeakPolarHBondContact CA-O 3.4Å; S263-Q331 WeakPolarHBondContact CB-O 3.2Å; S263-P333 WeakPolarHBondContact O-CD 3.07Å
264	D	87.2	Confident	86.9	Confident	106 Å²	106	82.1 Å²	82.1	57%	0.567	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.2	179.3	68.2	-24.8	0	0	0	113.5	Q262 A266	Q262-D264 WeakPolarHBondContact CB-OD1 2.84Å; Q262-D264 PolarHBondContact O-N 2.85Å; D264-A266 PolarHBondContact O-N 3.3Å
265	T	89.1	Confident	88.1	Confident	50 Å²	50	75.1 Å²	75.1	31%	0.307	38%	0.384	S	S	.	.			trans	-65.3	123.2	179.1	-61.9	0	0	0	0	110.1	I261 Q262 C334	I261-T265 HydrophobicContact CG2-CG2 4.13Å; Q262-T265 PolarHBondContact N-OG1 2.89Å; Q262-T265 VanDerWaalsContact O-CB 3.27Å; Q262-T265 WeakPolarHBondContact O-CB 3.19Å; Q262-T265 PolarHBondContact O-N 3.16Å; Q262-T265 PolarHBondContact O-OG1 2.99Å; T265-C334 CarbonylContact O-C 3.6Å; T265-C334 VanDerWaalsContact O-CB 3.27Å; T265-C334 WeakPolarHBondContact O-CB 3.31Å
266	A	88.8	Confident	89.1	Confident	44 Å²	44	70.2 Å²	70.2	36%	0.364	37%	0.367	S	S	.	.			trans	-123.1	147.3	176.7	0	0	0	0	0	110.5	D264 C334	D264-A266 PolarHBondContact O-N 3.3Å; A266-C334 HydrophobicContact CB-CB 4.29Å
267	L	90.2	Very high	89.5	Confident	24 Å²	24	71 Å²	71	13%	0.126	38%	0.384	C	S	.	.			trans	-71.7	136.6	172.8	-60.5	-178.8	0	0	0	110.3	L247 E271 W272 I275 M335 P336	L247-L267 HydrophobicContact CD1-CD2 3.93Å; L267-E271 HydrophobicContact CB-CB 4.18Å; L267-E271 HydrophobicContact CD2-CB 4.31Å; L267-W272 HydrophobicContact CB-CB 4.5Å; L267-W272 HydrophobicContact CD1-CE3 4.4Å; L267-I275 HydrophobicContact CD1-CB 4.17Å; L267-I275 HydrophobicContact CD1-CG1 4.01Å; L267-I275 HydrophobicContact CD1-CG2 4.21Å; L267-M335 HydrophobicContact CD2-CE 4.25Å; L267-M335 HydrophobicContact CD2-SD 4.4Å; L267-M335 HydrophobicContact CG-CE 4.44Å; L267-M335 HydrophobicContact CG-SD 4.38Å; L267-P336 HydrophobicContact CD1-CG 3.66Å; L267-P336 HydrophobicContact CG-CG 4.47Å
268	S	90.9	Very high	89.8	Confident	52 Å²	52	70.8 Å²	70.8	36%	0.364	38%	0.382	S	S	.	.			trans	-63.4	161	166.4	70.7	0	0	0	0	111	S270 E271 W272	S268-S270 PolarHBondContact O-N 3.01Å; S268-S270 VanDerWaalsContact O-N 3.12Å; S268-S270 PolarHBondContact OG-OG 2.83Å; S268-S270 VanDerWaalsContact OG-OG 3.09Å; S268-E271 WeakPolarHBondContact CA-OE2 3.5Å; S268-E271 WeakPolarHBondContact CB-OE2 3.13Å; S268-E271 PolarHBondContact N-OE2 2.86Å; S268-E271 PolarHBondContact O-N 3.21Å; S268-E271 VanDerWaalsContact OG-CD 3.23Å; S268-E271 WeakPolarHBondContact OG-CG 3.47Å; S268-E271 PolarHBondContact OG-N 3.11Å; S268-E271 PolarHBondContact OG-OE2 3.07Å; S268-W272 WeakPolarHBondContact O-CB 3.49Å; S268-W272 PolarHBondContact O-N 2.91Å
269	N	90.2	Very high	90.2	Very high	137 Å²	137	69.1 Å²	69.1	73%	0.733	37%	0.372	S	S	*	.	H	α-helix	trans	-56.1	-32.3	177.9	-71.2	-22	0	0	0	113.3	K273	N269-K273 WeakPolarHBondContact O-CG 3.35Å; N269-K273 PolarHBondContact O-N 3.21Å
270	S	88.9	Confident	90.4	Very high	78 Å²	78	62.8 Å²	62.8	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-73.3	-45.4	179	69.2	0	0	0	0	112.4	S268 W272 K273 I274	S268-S270 PolarHBondContact O-N 3.01Å; S268-S270 VanDerWaalsContact O-N 3.12Å; S268-S270 PolarHBondContact OG-OG 2.83Å; S268-S270 VanDerWaalsContact OG-OG 3.09Å; S270-W272 VanDerWaalsContact C-N 3.32Å; S270-K273 PolarHBondContact O-N 3.5Å; S270-I274 PolarHBondContact O-N 3.25Å
271	E	91.9	Very high	90.5	Very high	30 Å²	30	59.3 Å²	59.3	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176	-67.6	160	143.2	0	0	110.5	L247 Y256 L267 S268 K273 I274 I275	L247-E271 HydrophobicContact CD2-CB 3.88Å; L247-E271 HydrophobicContact CD2-CG 3.95Å; Y256-E271 WeakPolarHBondContact CE1-OE1 3.43Å; Y256-E271 PolarHBondContact OH-OE1 3.49Å; L267-E271 HydrophobicContact CB-CB 4.18Å; L267-E271 HydrophobicContact CD2-CB 4.31Å; S268-E271 WeakPolarHBondContact CA-OE2 3.5Å; S268-E271 WeakPolarHBondContact CB-OE2 3.13Å; S268-E271 PolarHBondContact N-OE2 2.86Å; S268-E271 PolarHBondContact O-N 3.21Å; S268-E271 VanDerWaalsContact OG-CD 3.23Å; S268-E271 WeakPolarHBondContact OG-CG 3.47Å; S268-E271 PolarHBondContact OG-N 3.11Å; S268-E271 PolarHBondContact OG-OE2 3.07Å; E271-K273 PolarHBondContact O-N 3.22Å; E271-I274 WeakPolarHBondContact O-CB 3.46Å; E271-I274 PolarHBondContact O-N 3.49Å; E271-I275 WeakPolarHBondContact O-CB 3.5Å; E271-I275 WeakPolarHBondContact O-CG1 3.32Å; E271-I275 PolarHBondContact O-N 2.8Å
272	W	93.5	Very high	90.8	Very high	35 Å²	35	58.3 Å²	58.3	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-45.1	177.1	172	-124.4	0	0	0	112.6	L267 S268 S270 I274 I275 K276 A300 P302 P336	L267-W272 HydrophobicContact CB-CB 4.5Å; L267-W272 HydrophobicContact CD1-CE3 4.4Å; S268-W272 WeakPolarHBondContact O-CB 3.49Å; S268-W272 PolarHBondContact O-N 2.91Å; S270-W272 VanDerWaalsContact C-N 3.32Å; W272-I274 VanDerWaalsContact C-N 3.3Å; W272-I274 PolarHBondContact O-N 2.66Å; W272-I275 PolarHBondContact O-N 2.64Å; W272-K276 HydrophobicContact CD2-CB 4.37Å; W272-K276 HydrophobicContact CE3-CB 4.46Å; W272-K276 HydrophobicContact CH2-CB 4.17Å; W272-K276 HydrophobicContact CH2-CD 4.4Å; W272-K276 HydrophobicContact CH2-CG 4.41Å; W272-K276 HydrophobicContact CZ2-CB 4.07Å; W272-K276 HydrophobicContact CZ2-CD 3.75Å; W272-K276 HydrophobicContact CZ2-CG 4.2Å; W272-K276 HydrophobicContact CZ3-CB 4.34Å; W272-K276 WeakPolarHBondContact O-CB 3.42Å; W272-K276 PolarHBondContact O-N 2.86Å; W272-A300 VanDerWaalsContact CH2-C 3.42Å; W272-A300 HydrophobicContact CH2-CB 3.54Å; W272-A300 WeakPolarHBondContact CH2-O 3.31Å; W272-A300 HydrophobicContact CZ2-CB 4.41Å; W272-A300 VanDerWaalsContact CZ2-O 3.22Å; W272-A300 WeakPolarHBondContact CZ2-O 3.23Å; W272-A300 HydrophobicContact CZ3-CB 4.3Å; W272-P302 HydrophobicContact CD2-CB 3.81Å; W272-P302 HydrophobicContact CE3-CB 4.19Å; W272-P302 HydrophobicContact CG-CB 4.11Å; W272-P302 HydrophobicContact CZ2-CB 4.22Å; W272-P336 HydrophobicContact CE3-CG 4.11Å; W272-P336 HydrophobicContact CH2-CB 4.45Å; W272-P336 HydrophobicContact CZ3-CB 3.78Å; W272-P336 HydrophobicContact CZ3-CG 3.78Å
273	K	90.6	Very high	90.9	Very high	159 Å²	159	54.9 Å²	54.9	69%	0.691	32%	0.321	S	S	*	.	H	α-helix	trans	-58.7	-43.1	176.8	-74.8	178.7	-179.1	-173.5	0	111.8	N269 S270 E271 A277	N269-K273 WeakPolarHBondContact O-CG 3.35Å; N269-K273 PolarHBondContact O-N 3.21Å; S270-K273 PolarHBondContact O-N 3.5Å; E271-K273 PolarHBondContact O-N 3.22Å; K273-A277 WeakPolarHBondContact O-CB 3.46Å; K273-A277 PolarHBondContact O-N 3.4Å
274	I	90.5	Very high	91.1	Very high	49 Å²	49	51.3 Å²	51.3	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-48.3	177.9	-65.7	166.1	0	0	0	110.5	V246 S270 E271 W272 A277 A278	V246-I274 HydrophobicContact CG1-CG2 3.99Å; S270-I274 PolarHBondContact O-N 3.25Å; E271-I274 WeakPolarHBondContact O-CB 3.46Å; E271-I274 PolarHBondContact O-N 3.49Å; W272-I274 VanDerWaalsContact C-N 3.3Å; W272-I274 PolarHBondContact O-N 2.66Å; I274-A277 PolarHBondContact O-N 3.46Å; I274-A278 PolarHBondContact O-N 2.86Å; I274-A278 VanDerWaalsContact O-N 3.07Å
275	I	94.4	Very high	91.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-43.7	-177.3	-69.7	-54.5	0	0	0	111.6	I243 V246 L247 L267 E271 W272 A277 A278 L279	I243-I275 HydrophobicContact CB-CD1 4.2Å; I243-I275 HydrophobicContact CD1-CG2 4.13Å; I243-I275 HydrophobicContact CG1-CD1 4.25Å; I243-I275 HydrophobicContact CG1-CG2 3.92Å; I243-I275 HydrophobicContact CG2-CD1 3.81Å; I243-I275 HydrophobicContact CG2-CG1 4.03Å; I243-I275 HydrophobicContact CG2-CG2 4.49Å; V246-I275 HydrophobicContact CB-CD1 3.95Å; V246-I275 HydrophobicContact CG1-CD1 3.83Å; L247-I275 HydrophobicContact CD2-CD1 4.01Å; L247-I275 HydrophobicContact CD2-CG1 3.93Å; L247-I275 HydrophobicContact CG-CD1 3.96Å; L247-I275 HydrophobicContact CG-CG1 4.21Å; L267-I275 HydrophobicContact CD1-CB 4.17Å; L267-I275 HydrophobicContact CD1-CG1 4.01Å; L267-I275 HydrophobicContact CD1-CG2 4.21Å; E271-I275 WeakPolarHBondContact O-CB 3.5Å; E271-I275 WeakPolarHBondContact O-CG1 3.32Å; E271-I275 PolarHBondContact O-N 2.8Å; W272-I275 PolarHBondContact O-N 2.64Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 3.01Å; I275-A278 PolarHBondContact O-N 3.12Å; I275-A278 VanDerWaalsContact O-N 3.1Å; I275-L279 HydrophobicContact CG2-CD1 3.49Å; I275-L279 VanDerWaalsContact CG2-CD1 3.49Å; I275-L279 HydrophobicContact CG2-CG 3.98Å; I275-L279 WeakPolarHBondContact O-CB 2.93Å; I275-L279 VanDerWaalsContact O-CG 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 3.09Å
276	K	94.3	Very high	91	Very high	68 Å²	68	45 Å²	45	30%	0.296	26%	0.261	S	S	.	.	H	α-helix	trans	-56	-49.8	175.5	-173.8	168.3	-174.3	151.3	0	110.4	W272 A278 L279 I280 D299 A300	W272-K276 HydrophobicContact CD2-CB 4.37Å; W272-K276 HydrophobicContact CE3-CB 4.46Å; W272-K276 HydrophobicContact CH2-CB 4.17Å; W272-K276 HydrophobicContact CH2-CD 4.4Å; W272-K276 HydrophobicContact CH2-CG 4.41Å; W272-K276 HydrophobicContact CZ2-CB 4.07Å; W272-K276 HydrophobicContact CZ2-CD 3.75Å; W272-K276 HydrophobicContact CZ2-CG 4.2Å; W272-K276 HydrophobicContact CZ3-CB 4.34Å; W272-K276 WeakPolarHBondContact O-CB 3.42Å; W272-K276 PolarHBondContact O-N 2.86Å; K276-A278 VanDerWaalsContact C-N 3.28Å; K276-A278 PolarHBondContact O-N 2.77Å; K276-L279 PolarHBondContact O-N 2.85Å; K276-L279 VanDerWaalsContact O-N 3.16Å; K276-I280 HydrophobicContact CG-CG1 4.23Å; K276-I280 WeakPolarHBondContact O-CG1 3.37Å; K276-I280 PolarHBondContact O-N 3.46Å; K276-I280 VanDerWaalsContact O-N 3.1Å; K276-D299 IonicContact NZ-OD1 3.75Å; K276-D299 PolarHBondContact NZ-OD1 3.16Å; K276-A300 PolarHBondContact NZ-O 2.65Å
277	A	90.2	Very high	90.8	Very high	66 Å²	66	47.2 Å²	47.2	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-36.6	177.6	0	0	0	0	0	113.3	K273 I274 I275	K273-A277 WeakPolarHBondContact O-CB 3.46Å; K273-A277 PolarHBondContact O-N 3.4Å; I274-A277 PolarHBondContact O-N 3.46Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 3.01Å
278	A	92.3	Very high	90	Very high	13 Å²	13	48 Å²	48	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-38.4	176.5	0	0	0	0	0	112.7	Y242 V246 I274 I275 K276 K366	Y242-A278 HydrophobicContact CE1-CB 4.33Å; V246-A278 HydrophobicContact CG1-CB 4.04Å; V246-A278 HydrophobicContact CG2-CB 4.32Å; I274-A278 PolarHBondContact O-N 2.86Å; I274-A278 VanDerWaalsContact O-N 3.07Å; I275-A278 PolarHBondContact O-N 3.12Å; I275-A278 VanDerWaalsContact O-N 3.1Å; K276-A278 VanDerWaalsContact C-N 3.28Å; K276-A278 PolarHBondContact O-N 2.77Å; A278-K366 PolarHBondContact O-NZ 2.96Å
279	L	94.7	Very high	89	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-76.7	-39.8	-174.5	-69.7	175	0	0	0	113.8	L239 Y242 I275 K276 G281 L282 I297 A300 V338	L239-L279 HydrophobicContact CD1-CD2 3.6Å; L239-L279 HydrophobicContact CD2-CD2 4.1Å; L239-L279 HydrophobicContact CG-CD2 4Å; Y242-L279 HydrophobicContact CD1-CD2 4.32Å; Y242-L279 HydrophobicContact CE1-CD2 4.4Å; I275-L279 HydrophobicContact CG2-CD1 3.49Å; I275-L279 VanDerWaalsContact CG2-CD1 3.49Å; I275-L279 HydrophobicContact CG2-CG 3.98Å; I275-L279 WeakPolarHBondContact O-CB 2.93Å; I275-L279 VanDerWaalsContact O-CG 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 3.09Å; K276-L279 PolarHBondContact O-N 2.85Å; K276-L279 VanDerWaalsContact O-N 3.16Å; L279-G281 PolarHBondContact O-N 3.39Å; L279-L282 HydrophobicContact CD2-CD2 4.38Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 3Å; L279-I297 HydrophobicContact CB-CD1 4.49Å; L279-I297 HydrophobicContact CB-CG2 4.45Å; L279-I297 HydrophobicContact CD2-CD1 4.32Å; L279-I297 WeakPolarHBondContact O-CB 3.48Å; L279-A300 HydrophobicContact CD1-CB 4.36Å; L279-V338 HydrophobicContact CD1-CG1 3.94Å
280	I	92.3	Very high	87.8	Confident	61 Å²	61	51.6 Å²	51.6	31%	0.313	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	127.9	-176	-62.3	-53.5	0	0	0	110.8	K276 L282 I297 K366	K276-I280 HydrophobicContact CG-CG1 4.23Å; K276-I280 WeakPolarHBondContact O-CG1 3.37Å; K276-I280 PolarHBondContact O-N 3.46Å; K276-I280 VanDerWaalsContact O-N 3.1Å; I280-L282 VanDerWaalsContact C-N 3.32Å; I280-L282 PolarHBondContact O-N 3.37Å; I280-I297 HydrophobicContact CD1-CG2 4.3Å; I280-K366 PolarHBondContact O-NZ 2.89Å
281	G	88.3	Confident	86.7	Confident	45 Å²	45	49.3 Å²	49.3	46%	0.464	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-9.7	-178	0	0	0	0	0	115.3	L279 H283 I297	L279-G281 PolarHBondContact O-N 3.39Å; G281-H283 PolarHBondContact O-ND1 3.49Å; G281-I297 PolarHBondContact N-O 2.76Å
282	L	92.7	Very high	85.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.288	C	S	.	.			trans	-70.8	139.2	173.6	176.7	67.6	0	0	0	110.1	Y234 L239 Y242 L279 I280 V284 I297 I356 L360	Y234-L282 HydrophobicContact CD1-CD1 3.71Å; Y234-L282 HydrophobicContact CD2-CD1 3.76Å; Y234-L282 HydrophobicContact CE1-CD1 3.59Å; Y234-L282 HydrophobicContact CE2-CD1 3.6Å; Y234-L282 HydrophobicContact CG-CD1 3.81Å; L239-L282 HydrophobicContact CD1-CD2 3.67Å; Y242-L282 HydrophobicContact CD1-CD2 4.12Å; Y242-L282 HydrophobicContact CE1-CD2 3.91Å; L279-L282 HydrophobicContact CD2-CD2 4.38Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 3Å; I280-L282 VanDerWaalsContact C-N 3.32Å; I280-L282 PolarHBondContact O-N 3.37Å; L282-V284 HydrophobicContact CD2-CG1 4.32Å; L282-V284 HydrophobicContact CG-CG1 4.28Å; L282-I297 HydrophobicContact CB-CD1 4.22Å; L282-I297 HydrophobicContact CD2-CD1 4.41Å; L282-I297 HydrophobicContact CG-CD1 4.49Å; L282-I297 WeakPolarHBondContact O-CB 3.12Å; L282-I297 WeakPolarHBondContact O-CG1 3.17Å; L282-I297 PolarHBondContact O-N 3.12Å; L282-I356 HydrophobicContact CD1-CD1 4.43Å; L282-I356 HydrophobicContact CD1-CG2 4.33Å; L282-I356 HydrophobicContact CD2-CD1 3.78Å; L282-I356 HydrophobicContact CD2-CG1 4.05Å; L282-L360 HydrophobicContact CD1-CD2 3.52Å
283	H	91.6	Very high	84.6	Confident	58 Å²	58	51.1 Å²	51.1	27%	0.269	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.2	174.8	-70.3	64.5	0	0	0	110.9	G281 Q294 Y295 P357 L360	G281-H283 PolarHBondContact O-ND1 3.49Å; H283-Q294 HydrophobicContact CB-CB 4.49Å; H283-Y295 CarbonylContact C-O 3.58Å; H283-Y295 VanDerWaalsContact CA-O 3.28Å; H283-Y295 WeakPolarHBondContact CA-O 3.14Å; H283-P357 VanDerWaalsContact O-CD 3.22Å; H283-P357 WeakPolarHBondContact O-CD 3.37Å; H283-L360 HydrophobicContact CB-CD1 4.01Å; H283-L360 HydrophobicContact CB-CD2 3.92Å
284	V	91.6	Very high	84.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.7	-179.3	-63.6	0	0	0	0	112.5	L239 L282 Q294 Y295 I297 C354 L355 I356	L239-V284 HydrophobicContact CD1-CG1 4.01Å; L239-V284 HydrophobicContact CD2-CG1 4.19Å; L282-V284 HydrophobicContact CD2-CG1 4.32Å; L282-V284 HydrophobicContact CG-CG1 4.28Å; V284-Q294 CarbonylContact O-C 3.56Å; V284-Q294 WeakPolarHBondContact O-CA 3.44Å; V284-Y295 PolarHBondContact N-O 3.37Å; V284-Y295 PolarHBondContact O-N 3.43Å; V284-I297 HydrophobicContact CG1-CD1 3.7Å; V284-I297 HydrophobicContact CG1-CG1 4.37Å; V284-I297 HydrophobicContact CG2-CD1 4.05Å; V284-I297 HydrophobicContact CG2-CG1 3.9Å; V284-C354 HydrophobicContact CB-CB 4.31Å; V284-C354 HydrophobicContact CG2-CB 4.4Å; V284-L355 CarbonylContact C-O 3.51Å; V284-L355 VanDerWaalsContact CA-O 3.3Å; V284-L355 WeakPolarHBondContact CA-O 3.37Å; V284-I356 HydrophobicContact CG1-CG1 4.45Å
285	N	88.5	Confident	83.9	Confident	15 Å²	15	44.6 Å²	44.6	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	161.5	169.8	-62.8	55.1	0	0	0	109.8	T292 L293 Q294 C354 L355 P357	N285-T292 PolarHBondContact ND2-O 3.14Å; N285-L293 VanDerWaalsContact CA-O 3.27Å; N285-L293 WeakPolarHBondContact CA-O 3.05Å; N285-L293 WeakPolarHBondContact CB-O 3.19Å; N285-L293 PolarHBondContact ND2-N 2.83Å; N285-L293 PolarHBondContact ND2-O 2.72Å; N285-Q294 WeakPolarHBondContact OD1-CG 3.15Å; N285-C354 CarbonylContact O-C 3.56Å; N285-C354 WeakPolarHBondContact O-CA 3.45Å; N285-L355 PolarHBondContact N-O 3.14Å; N285-L355 PolarHBondContact O-N 2.84Å; N285-P357 WeakPolarHBondContact OD1-CB 3.33Å; N285-P357 WeakPolarHBondContact OD1-CG 3.49Å
286	T	85.6	Confident	83.7	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.1	173.3	58.1	0	0	0	0	111.2	R289 T291 L349 M353	T286-R289 WeakPolarHBondContact OG1-CB 3.43Å; T286-T291 WeakPolarHBondContact OG1-CG2 3.33Å; T286-L349 HydrophobicContact CG2-CD1 3.71Å; T286-L349 HydrophobicContact CG2-CD2 4.43Å; T286-M353 CarbonylContact C-O 3.48Å; T286-M353 WeakPolarHBondContact CA-O 3.41Å
287	I	83.5	Confident	83.6	Confident	89 Å²	89	43.7 Å²	43.7	46%	0.456	25%	0.253	S	S	.	.	S	Bend	trans	-80.2	-33.8	174.9	-59	168.5	0	0	0	111	R289 M353 C354 L355	I287-R289 VanDerWaalsContact C-N 3.26Å; I287-R289 PolarHBondContact O-N 2.88Å; I287-M353 PolarHBondContact N-O 2.67Å; I287-C354 WeakPolarHBondContact CD1-O 3.26Å; I287-L355 HydrophobicContact CD1-CB 4.24Å; I287-L355 HydrophobicContact CG1-CB 3.75Å
288	C	74.2	Confident	83.6	Confident	40 Å²	40	43.1 Å²	43.1	27%	0.27	24%	0.24	S	C	.	.	S	Bend	trans	-77.7	-6.2	-174.6	61.9	0	0	0	0	114.8	Y327 M353	C288-Y327 HydrophobicContact CB-CD1 4.16Å; C288-Y327 HydrophobicContact CB-CG 4.45Å; C288-M353 HydrophobicContact CB-SD 3.95Å
289	R	69.7	Low	83.5	Confident	84 Å²	84	44.9 Å²	44.9	32%	0.317	25%	0.248	S	C	.	.	S	Bend	trans	-121.7	140.1	175.3	-57.4	-179.4	-178.7	176.5	7.3	108.1	H126 T286 I287 T291 Y327	H126-R289 PolarHBondContact CE1-NH1 3.49Å; H126-R289 PolarHBondContact NE2-NH1 2.75Å; T286-R289 WeakPolarHBondContact OG1-CB 3.43Å; I287-R289 VanDerWaalsContact C-N 3.26Å; I287-R289 PolarHBondContact O-N 2.88Å; R289-T291 HydrophobicContact CB-CG2 3.76Å; R289-T291 PolarHBondContact O-N 2.81Å; R289-Y327 PolarHBondContact NE-OH 2.85Å; R289-Y327 PolarHBondContact NH2-OH 3.4Å
290	D	65.3	Low	83.3	Confident	182 Å²	182	44.9 Å²	44.9	97%	0.973	25%	0.248	S	C	*	.	S	Bend	trans	-74.6	79.4	172.7	-166.4	10.7	0	0	0	109.2
291	T	65.5	Low	83.3	Confident	30 Å²	30	42.9 Å²	42.9	18%	0.184	24%	0.238	C	C	.	.			trans	-146.9	131.3	-170	-163.8	0	0	0	0	112.1	T286 R289 L293	T286-T291 WeakPolarHBondContact OG1-CG2 3.33Å; R289-T291 HydrophobicContact CB-CG2 3.76Å; R289-T291 PolarHBondContact O-N 2.81Å; T291-L293 HydrophobicContact CG2-CB 4.41Å; T291-L293 PolarHBondContact O-N 3.02Å; T291-L293 WeakPolarHBondContact OG1-CD1 3.14Å; T291-L293 WeakPolarHBondContact OG1-CG 3.21Å
292	T	66.2	Low	83.3	Confident	101 Å²	101	43.6 Å²	43.6	62%	0.62	24%	0.235	S	C	*	.			trans	-84.3	7.8	174.2	51.9	0	0	0	0	112.6	N285 Q294	N285-T292 PolarHBondContact ND2-O 3.14Å; T292-Q294 PolarHBondContact O-N 2.9Å
293	L	73.8	Confident	83.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.245	C	C	.	.			trans	-71.5	128.9	-175.2	-62.4	-179.1	0	0	0	113.4	M122 L123 H124 T125 H126 N285 T291 Y295	M122-L293 WeakPolarHBondContact O-CD2 3.41Å; L123-L293 WeakPolarHBondContact O-CA 3.37Å; L123-L293 WeakPolarHBondContact O-CD2 3.48Å; H124-L293 VanDerWaalsContact C-CD2 3.49Å; T125-L293 VanDerWaalsContact C-CD1 3.49Å; T125-L293 WeakPolarHBondContact O-CD2 3.39Å; H126-L293 HydrophobicContact CB-CD1 4.31Å; H126-L293 WeakPolarHBondContact CE1-CD1 3.47Å; H126-L293 WeakPolarHBondContact ND1-CD1 3.41Å; N285-L293 VanDerWaalsContact CA-O 3.27Å; N285-L293 WeakPolarHBondContact CA-O 3.05Å; N285-L293 WeakPolarHBondContact CB-O 3.19Å; N285-L293 PolarHBondContact ND2-N 2.83Å; N285-L293 PolarHBondContact ND2-O 2.72Å; T291-L293 HydrophobicContact CG2-CB 4.41Å; T291-L293 PolarHBondContact O-N 3.02Å; T291-L293 WeakPolarHBondContact OG1-CD1 3.14Å; T291-L293 WeakPolarHBondContact OG1-CG 3.21Å; L293-Y295 HydrophobicContact CB-CE2 3.81Å; L293-Y295 WeakPolarHBondContact CD1-OH 3.35Å
294	Q	83.6	Confident	82.6	Confident	38 Å²	38	43 Å²	43	18%	0.178	23%	0.232	C	C	.	.			trans	-105.6	137.1	178.3	-40.7	-164.3	2.6	0	0	109.7	L123 H124 H283 V284 N285 T292 P357	L123-Q294 HydrophobicContact CD2-CG 4.45Å; L123-Q294 PolarHBondContact O-N 2.77Å; H124-Q294 PolarHBondContact CE1-O 2.93Å; H124-Q294 PolarHBondContact ND1-O 3.04Å; H283-Q294 HydrophobicContact CB-CB 4.49Å; V284-Q294 CarbonylContact O-C 3.56Å; V284-Q294 WeakPolarHBondContact O-CA 3.44Å; N285-Q294 WeakPolarHBondContact OD1-CG 3.15Å; T292-Q294 PolarHBondContact O-N 2.9Å; Q294-P357 HydrophobicContact CG-CB 4.49Å; Q294-P357 HydrophobicContact CG-CG 4.29Å
295	Y	84.7	Confident	82	Confident	32 Å²	32	44.5 Å²	44.5	13%	0.125	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.6	179.8	-55.9	-81	0	0	0	110.6	H126 H283 V284 L293 I297 I340	H126-Y295 PolarHBondContact CE1-OH 2.85Å; H126-Y295 PolarHBondContact NE2-OH 2.75Å; H283-Y295 CarbonylContact C-O 3.58Å; H283-Y295 VanDerWaalsContact CA-O 3.28Å; H283-Y295 WeakPolarHBondContact CA-O 3.14Å; V284-Y295 PolarHBondContact N-O 3.37Å; V284-Y295 PolarHBondContact O-N 3.43Å; L293-Y295 HydrophobicContact CB-CE2 3.81Å; L293-Y295 WeakPolarHBondContact CD1-OH 3.35Å; Y295-I297 PolarHBondContact O-N 3.22Å; Y295-I340 HydrophobicContact CD1-CD1 3.88Å; Y295-I340 HydrophobicContact CD2-CD1 3.82Å; Y295-I340 HydrophobicContact CE1-CD1 4.29Å; Y295-I340 HydrophobicContact CE2-CD1 4.24Å; Y295-I340 HydrophobicContact CG-CB 4.4Å; Y295-I340 HydrophobicContact CG-CD1 3.61Å; Y295-I340 HydrophobicContact CG-CG2 4.48Å
296	P	89.3	Confident	81.4	Confident	50 Å²	50	51.4 Å²	51.4	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.3	169.1	27	-31.8	0	0	0	109.9	I298	P296-I298 PolarHBondContact O-N 2.7Å
297	I	92.4	Very high	81	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.282	C	S	.	.			trans	-74.4	113.5	171.1	-64.9	167.7	0	0	0	108.2	L239 L279 I280 G281 L282 V284 Y295 D299 V338	L239-I297 HydrophobicContact CD2-CD1 4.17Å; L279-I297 HydrophobicContact CB-CD1 4.49Å; L279-I297 HydrophobicContact CB-CG2 4.45Å; L279-I297 HydrophobicContact CD2-CD1 4.32Å; L279-I297 WeakPolarHBondContact O-CB 3.48Å; I280-I297 HydrophobicContact CD1-CG2 4.3Å; G281-I297 PolarHBondContact N-O 2.76Å; L282-I297 HydrophobicContact CB-CD1 4.22Å; L282-I297 HydrophobicContact CD2-CD1 4.41Å; L282-I297 HydrophobicContact CG-CD1 4.49Å; L282-I297 WeakPolarHBondContact O-CB 3.12Å; L282-I297 WeakPolarHBondContact O-CG1 3.17Å; L282-I297 PolarHBondContact O-N 3.12Å; V284-I297 HydrophobicContact CG1-CD1 3.7Å; V284-I297 HydrophobicContact CG1-CG1 4.37Å; V284-I297 HydrophobicContact CG2-CD1 4.05Å; V284-I297 HydrophobicContact CG2-CG1 3.9Å; Y295-I297 PolarHBondContact O-N 3.22Å; I297-D299 WeakPolarHBondContact CG2-O 3.37Å; I297-V338 HydrophobicContact CD1-CB 4.05Å; I297-V338 HydrophobicContact CD1-CG1 3.87Å; I297-V338 HydrophobicContact CD1-CG2 4.22Å; I297-V338 HydrophobicContact CG1-CB 3.99Å; I297-V338 HydrophobicContact CG1-CG1 4.33Å; I297-V338 HydrophobicContact CG1-CG2 4.19Å; I297-V338 HydrophobicContact CG2-CB 3.93Å; I297-V338 HydrophobicContact CG2-CG1 4.14Å
298	I	89.5	Confident	80.4	Confident	54 Å²	54	54 Å²	54	28%	0.277	28%	0.283	S	S	.	.			trans	-99.1	-22.1	-179	57.6	157.6	0	0	0	112.8	P296 G339 G341 S342	P296-I298 PolarHBondContact O-N 2.7Å; I298-G339 WeakPolarHBondContact CG1-O 3.32Å; I298-G339 PolarHBondContact N-O 2.81Å; I298-G341 WeakPolarHBondContact CD1-O 3.46Å; I298-S342 WeakPolarHBondContact CD1-O 3.42Å
299	D	89.9	Confident	80	Confident	50 Å²	50	53.3 Å²	53.3	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.9	174.6	-162.7	12.3	0	0	0	110.6	K276 I297 G339 Y348	K276-D299 IonicContact NZ-OD1 3.75Å; K276-D299 PolarHBondContact NZ-OD1 3.16Å; I297-D299 WeakPolarHBondContact CG2-O 3.37Å; D299-G339 PolarHBondContact N-O 2.88Å; D299-G339 PolarHBondContact O-N 2.82Å; D299-Y348 PolarHBondContact OD2-OH 3.12Å; D299-Y348 VanDerWaalsContact OD2-OH 3.05Å
300	A	92	Very high	79.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146.3	170	0	0	0	0	0	109.9	W272 K276 L279 A337 V338	W272-A300 VanDerWaalsContact CH2-C 3.42Å; W272-A300 HydrophobicContact CH2-CB 3.54Å; W272-A300 WeakPolarHBondContact CH2-O 3.31Å; W272-A300 HydrophobicContact CZ2-CB 4.41Å; W272-A300 VanDerWaalsContact CZ2-O 3.22Å; W272-A300 WeakPolarHBondContact CZ2-O 3.23Å; W272-A300 HydrophobicContact CZ3-CB 4.3Å; K276-A300 PolarHBondContact NZ-O 2.65Å; L279-A300 HydrophobicContact CD1-CB 4.36Å; A300-A337 WeakPolarHBondContact CA-O 2.97Å; A300-V338 HydrophobicContact CB-CG1 4.36Å
301	V	91	Very high	79.5	Confident	19 Å²	19	51.3 Å²	51.3	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.3	176	-67	0	0	0	0	110.8	Q303 H307 P336 A337 Y348	V301-Q303 PolarHBondContact O-N 2.92Å; V301-H307 HydrophobicContact CG2-CB 4.06Å; V301-P336 WeakPolarHBondContact O-CA 3.4Å; V301-P336 VanDerWaalsContact O-CB 3.28Å; V301-P336 WeakPolarHBondContact O-CB 3.49Å; V301-A337 HydrophobicContact CG2-CB 3.84Å; V301-A337 PolarHBondContact N-O 3.22Å; V301-A337 PolarHBondContact O-N 3.35Å; V301-Y348 HydrophobicContact CB-CE1 4.41Å; V301-Y348 HydrophobicContact CG1-CD1 4.31Å; V301-Y348 HydrophobicContact CG1-CE1 3.65Å; V301-Y348 HydrophobicContact CG2-CD1 3.82Å; V301-Y348 HydrophobicContact CG2-CE1 4.02Å
302	P	89.2	Confident	79	Confident	60 Å²	60	59.7 Å²	59.7	39%	0.39	30%	0.3	S	S	.	.	S	Bend	trans	-71.2	-26.3	-168.1	26	-34.9	0	0	0	114.6	W272 P336	W272-P302 HydrophobicContact CD2-CB 3.81Å; W272-P302 HydrophobicContact CE3-CB 4.19Å; W272-P302 HydrophobicContact CG-CB 4.11Å; W272-P302 HydrophobicContact CZ2-CB 4.22Å; P302-P336 WeakPolarHBondContact O-CA 3.25Å
303	Q	87.2	Confident	78.7	Confident	47 Å²	47	59.7 Å²	59.7	22%	0.22	30%	0.296	C	S	.	.			trans	-136.2	118.3	-179.1	-60.8	-172.3	-6.5	0	0	109.8	V301 A305	V301-Q303 PolarHBondContact O-N 2.92Å; Q303-A305 PolarHBondContact O-N 2.63Å
304	A	82.1	Confident	78.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-60.1	-45.9	179.3	0	0	0	0	0	111.6	K306 H307 V319 L330 P333 M335 A337 P350	A304-K306 VanDerWaalsContact C-N 3.28Å; A304-K306 PolarHBondContact O-N 3.44Å; A304-H307 PolarHBondContact O-N 3.36Å; A304-V319 HydrophobicContact CB-CG1 4.49Å; A304-V319 WeakPolarHBondContact O-CB 3.29Å; A304-L330 HydrophobicContact CB-CD1 4.38Å; A304-P333 PolarHBondContact N-O 3.14Å; A304-M335 PolarHBondContact N-O 3.18Å; A304-A337 HydrophobicContact CB-CB 3.85Å; A304-P350 HydrophobicContact CB-CB 4.35Å; A304-P350 HydrophobicContact CB-CG 4.35Å
305	A	79.9	Confident	77.6	Confident	31 Å²	31	67 Å²	67	26%	0.256	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.9	-173.9	0	0	0	0	0	115.2	Q303 N318 A320 P333	Q303-A305 PolarHBondContact O-N 2.63Å; A305-N318 WeakPolarHBondContact O-CB 3.29Å; A305-A320 HydrophobicContact CB-CB 4.11Å; A305-P333 HydrophobicContact CB-CB 3.98Å; A305-P333 WeakPolarHBondContact CB-O 3.13Å; A305-P333 PolarHBondContact N-O 2.85Å
306	K	75.2	Confident	77.1	Confident	159 Å²	159	71.2 Å²	71.2	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.5	-177.2	-66.8	-173.2	-178.1	158.4	0	113.6	A304	A304-K306 VanDerWaalsContact C-N 3.28Å; A304-K306 PolarHBondContact O-N 3.44Å
307	H	76.5	Confident	76.7	Confident	50 Å²	50	70.6 Å²	70.6	23%	0.231	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-88.6	120	-176.8	-162.5	67.2	0	0	0	110.8	V301 A304 N318 V319 Y348	V301-H307 HydrophobicContact CG2-CB 4.06Å; A304-H307 PolarHBondContact O-N 3.36Å; H307-N318 CarbonylContact O-C 3.53Å; H307-N318 VanDerWaalsContact O-CA 3.23Å; H307-N318 WeakPolarHBondContact O-CA 3.3Å; H307-N318 WeakPolarHBondContact O-CB 3.25Å; H307-V319 HydrophobicContact CB-CG2 4.17Å; H307-V319 PolarHBondContact O-N 2.9Å; H307-Y348 AromaticContact CD2-CD2 3.43Å; H307-Y348 VanDerWaalsContact CD2-CD2 3.43Å; H307-Y348 WeakPolarHBondContact CD2-CD2 3.17Å; H307-Y348 AromaticContact CD2-CE2 3.71Å; H307-Y348 AromaticContact CD2-CG 3.68Å; H307-Y348 AromaticContact CE1-CE2 3.96Å; H307-Y348 AromaticContact NE2-CD2 3.28Å; H307-Y348 VanDerWaalsContact NE2-CD2 3.28Å; H307-Y348 WeakPolarHBondContact NE2-CD2 3.47Å; H307-Y348 AromaticContact NE2-CE2 3.04Å; H307-Y348 WeakPolarHBondContact NE2-CE2 3.32Å; H307-Y348 AromaticContact NE2-CG 3.92Å; H307-Y348 AromaticContact NE2-CZ 3.52Å
308	E	71.3	Confident	76.3	Confident	103 Å²	103	72.5 Å²	72.5	48%	0.481	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.9	177.5	-63.4	-173.5	153.7	0	0	110.8	K316	E308-K316 WeakPolarHBondContact OE2-CD 3.37Å; E308-K316 IonicContact OE2-NZ 2.68Å; E308-K316 PolarHBondContact OE2-NZ 3.05Å
309	L	66.5	Low	76	Confident	26 Å²	26	69.9 Å²	69.9	14%	0.136	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.1	167.7	-60.4	169.3	0	0	0	109	K316 I317 V319 Y322 Y348	L309-K316 WeakPolarHBondContact O-CA 3.43Å; L309-I317 WeakPolarHBondContact CA-O 3.34Å; L309-I317 HydrophobicContact CB-CG2 4.33Å; L309-I317 WeakPolarHBondContact CB-O 3.46Å; L309-I317 PolarHBondContact N-O 3.46Å; L309-I317 PolarHBondContact O-N 3.27Å; L309-V319 HydrophobicContact CD1-CB 4.45Å; L309-V319 HydrophobicContact CD1-CG2 3.92Å; L309-V319 HydrophobicContact CD2-CG2 4.05Å; L309-V319 HydrophobicContact CG-CG2 3.79Å; L309-Y322 HydrophobicContact CD1-CG 4.37Å; L309-Y348 HydrophobicContact CD2-CD2 4.15Å
310	F	63.8	Low	75.7	Confident	154 Å²	154	68.1 Å²	68.1	68%	0.675	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	116	168.1	-74	-96	0	0	0	109.3	K316	F310-K316 HydrophobicContact CD1-CG 3.99Å; F310-K316 HydrophobicContact CE1-CD 4.01Å; F310-K316 HydrophobicContact CE1-CG 3.87Å; F310-K316 HydrophobicContact CZ-CD 4.11Å; F310-K316 HydrophobicContact CZ-CG 4.37Å
311	M	59.3	Low	75.4	Confident	69 Å²	69	70.7 Å²	70.7	34%	0.34	36%	0.362	S	S	.	.			trans	-81.3	157.9	176	-62.9	-68.4	-70.2	0	0	110.6	D313 G314 Q315 I317 Y322	M311-D313 WeakPolarHBondContact CB-OD1 3.46Å; M311-D313 PolarHBondContact O-N 3.3Å; M311-G314 PolarHBondContact O-N 3.3Å; M311-Q315 VanDerWaalsContact CB-O 3.27Å; M311-Q315 WeakPolarHBondContact CB-O 3.16Å; M311-Q315 PolarHBondContact N-O 2.96Å; M311-I317 HydrophobicContact CG-CB 4.42Å; M311-I317 HydrophobicContact CG-CG2 3.48Å; M311-I317 VanDerWaalsContact CG-CG2 3.48Å; M311-I317 HydrophobicContact SD-CG2 3.71Å; M311-Y322 HydrophobicContact CE-CD2 4.24Å; M311-Y322 HydrophobicContact CE-CE2 4.02Å; M311-Y322 HydrophobicContact SD-CD2 4.03Å; M311-Y322 HydrophobicContact SD-CE2 4.16Å
312	H	55.9	Low	75.1	Confident	206 Å²	206	72.1 Å²	72.1	95%	0.954	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.7	-177.3	-150.5	66.1	0	0	0	113.4	G314	H312-G314 PolarHBondContact O-N 2.9Å
313	D	60.1	Low	74.9	Confident	101 Å²	101	69.5 Å²	69.5	54%	0.54	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.3	173.9	61.5	-1.6	0	0	0	113.2	M311 Q315	M311-D313 WeakPolarHBondContact CB-OD1 3.46Å; M311-D313 PolarHBondContact O-N 3.3Å; D313-Q315 PolarHBondContact O-N 3.03Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.35Å; D313-Q315 PolarHBondContact OD1-N 2.79Å
314	G	63.3	Low	74.9	Confident	62 Å²	62	74.5 Å²	74.5	64%	0.639	37%	0.366	S	S	*	.	S	Bend	trans	80.2	-1.4	-177.1	0	0	0	0	0	114.2	M311 H312	M311-G314 PolarHBondContact O-N 3.3Å; H312-G314 PolarHBondContact O-N 2.9Å
315	Q	70.1	Confident	75.1	Confident	131 Å²	131	83.3 Å²	83.3	61%	0.612	40%	0.404	S	S	*	.			trans	-77.8	140.1	177.1	-61.4	-174.7	15.3	0	0	110.8	M311 D313	M311-Q315 VanDerWaalsContact CB-O 3.27Å; M311-Q315 WeakPolarHBondContact CB-O 3.16Å; M311-Q315 PolarHBondContact N-O 2.96Å; D313-Q315 PolarHBondContact O-N 3.03Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.35Å; D313-Q315 PolarHBondContact OD1-N 2.79Å
316	K	74.7	Confident	75.2	Confident	121 Å²	121	87.5 Å²	87.5	53%	0.526	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.5	167.5	-62.7	-169	-174.5	-171	0	109.2	E308 L309 F310	E308-K316 WeakPolarHBondContact OE2-CD 3.37Å; E308-K316 IonicContact OE2-NZ 2.68Å; E308-K316 PolarHBondContact OE2-NZ 3.05Å; L309-K316 WeakPolarHBondContact O-CA 3.43Å; F310-K316 HydrophobicContact CD1-CG 3.99Å; F310-K316 HydrophobicContact CE1-CD 4.01Å; F310-K316 HydrophobicContact CE1-CG 3.87Å; F310-K316 HydrophobicContact CZ-CD 4.11Å; F310-K316 HydrophobicContact CZ-CG 4.37Å
317	I	81.3	Confident	75.6	Confident	38 Å²	38	83.5 Å²	83.5	20%	0.195	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.4	172.7	-167.8	168	0	0	0	107.9	L309 M311 D321 Y322	L309-I317 WeakPolarHBondContact CA-O 3.34Å; L309-I317 HydrophobicContact CB-CG2 4.33Å; L309-I317 WeakPolarHBondContact CB-O 3.46Å; L309-I317 PolarHBondContact N-O 3.46Å; L309-I317 PolarHBondContact O-N 3.27Å; M311-I317 HydrophobicContact CG-CB 4.42Å; M311-I317 HydrophobicContact CG-CG2 3.48Å; M311-I317 VanDerWaalsContact CG-CG2 3.48Å; M311-I317 HydrophobicContact SD-CG2 3.71Å; I317-D321 HydrophobicContact CD1-CB 4.02Å; I317-D321 HydrophobicContact CG1-CB 3.62Å; I317-Y322 HydrophobicContact CG2-CD2 4.38Å
318	N	83.2	Confident	76	Confident	40 Å²	40	82.6 Å²	82.6	21%	0.214	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	158.2	174.1	66.5	53.8	0	0	0	110.8	A305 H307 A320 D321 Y322	A305-N318 WeakPolarHBondContact O-CB 3.29Å; H307-N318 CarbonylContact O-C 3.53Å; H307-N318 VanDerWaalsContact O-CA 3.23Å; H307-N318 WeakPolarHBondContact O-CA 3.3Å; H307-N318 WeakPolarHBondContact O-CB 3.25Å; N318-A320 PolarHBondContact O-N 2.65Å; N318-A320 PolarHBondContact OD1-N 2.8Å; N318-D321 PolarHBondContact ND2-OD2 2.75Å; N318-D321 PolarHBondContact O-N 2.98Å; N318-D321 WeakPolarHBondContact OD1-CB 2.96Å; N318-D321 PolarHBondContact OD1-N 2.89Å; N318-D321 PolarHBondContact OD1-OD2 2.86Å; N318-Y322 PolarHBondContact O-N 2.85Å
319	V	82.5	Confident	76.9	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-55.4	-41	-178.6	178.1	0	0	0	0	110.9	A304 H307 L309 Y322 F323 P350	A304-V319 HydrophobicContact CB-CG1 4.49Å; A304-V319 WeakPolarHBondContact O-CB 3.29Å; H307-V319 HydrophobicContact CB-CG2 4.17Å; H307-V319 PolarHBondContact O-N 2.9Å; L309-V319 HydrophobicContact CD1-CB 4.45Å; L309-V319 HydrophobicContact CD1-CG2 3.92Å; L309-V319 HydrophobicContact CD2-CG2 4.05Å; L309-V319 HydrophobicContact CG-CG2 3.79Å; V319-Y322 PolarHBondContact O-N 3.04Å; V319-F323 HydrophobicContact CG1-CD2 3.8Å; V319-F323 HydrophobicContact CG1-CE2 3.95Å; V319-F323 VanDerWaalsContact O-CD2 3.31Å; V319-F323 WeakPolarHBondContact O-CD2 3.3Å; V319-F323 PolarHBondContact O-N 2.94Å; V319-P350 HydrophobicContact CG1-CG 3.57Å
320	A	83.7	Confident	77.9	Confident	13 Å²	13	80.9 Å²	80.9	11%	0.107	41%	0.406	C	S	.	.	H	α-helix	trans	-64.4	-43	-178.6	0	0	0	0	0	112.8	A305 N318 F323 R324 L330	A305-A320 HydrophobicContact CB-CB 4.11Å; N318-A320 PolarHBondContact O-N 2.65Å; N318-A320 PolarHBondContact OD1-N 2.8Å; A320-F323 PolarHBondContact O-N 2.75Å; A320-R324 VanDerWaalsContact O-CB 3.26Å; A320-R324 WeakPolarHBondContact O-CB 3.23Å; A320-R324 PolarHBondContact O-N 2.69Å; A320-L330 HydrophobicContact CB-CD1 4.03Å
321	D	85.9	Confident	79.2	Confident	54 Å²	54	79.9 Å²	79.9	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-67.9	-40.6	178.7	-71	-21.6	0	0	0	111.7	I317 N318 R324 K325	I317-D321 HydrophobicContact CD1-CB 4.02Å; I317-D321 HydrophobicContact CG1-CB 3.62Å; N318-D321 PolarHBondContact ND2-OD2 2.75Å; N318-D321 PolarHBondContact O-N 2.98Å; N318-D321 WeakPolarHBondContact OD1-CB 2.96Å; N318-D321 PolarHBondContact OD1-N 2.89Å; N318-D321 PolarHBondContact OD1-OD2 2.86Å; D321-R324 PolarHBondContact O-N 3.43Å; D321-R324 IonicContact OD1-CZ 2.98Å; D321-R324 IonicContact OD1-NE 2.76Å; D321-R324 IonicContact OD1-NH2 2.8Å; D321-R324 PolarHBondContact OD1-NH2 2.96Å; D321-K325 WeakPolarHBondContact O-CB 3.49Å; D321-K325 PolarHBondContact O-N 3.46Å
322	Y	84.7	Confident	80.7	Confident	50 Å²	50	78.5 Å²	78.5	20%	0.196	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-49.9	174.2	177.4	-92.6	0	0	0	111.5	L309 M311 I317 N318 V319 K325 K326 Y327	L309-Y322 HydrophobicContact CD1-CG 4.37Å; M311-Y322 HydrophobicContact CE-CD2 4.24Å; M311-Y322 HydrophobicContact CE-CE2 4.02Å; M311-Y322 HydrophobicContact SD-CD2 4.03Å; M311-Y322 HydrophobicContact SD-CE2 4.16Å; I317-Y322 HydrophobicContact CG2-CD2 4.38Å; N318-Y322 PolarHBondContact O-N 2.85Å; V319-Y322 PolarHBondContact O-N 3.04Å; Y322-K325 PolarHBondContact O-N 3.03Å; Y322-K326 HydrophobicContact CE1-CD 4.1Å; Y322-K326 HydrophobicContact CE2-CD 4.44Å; Y322-K326 WeakPolarHBondContact O-CB 3.3Å; Y322-K326 PolarHBondContact O-N 3.35Å; Y322-K326 VanDerWaalsContact O-N 3.08Å; Y322-K326 WeakPolarHBondContact OH-CD 3.33Å; Y322-K326 PolarHBondContact OH-NZ 3.16Å; Y322-Y327 HydrophobicContact CE1-CE2 4.16Å
323	F	86.3	Confident	82.2	Confident	5 Å²	5	70.2 Å²	70.2	2%	0.022	36%	0.359	C	S	.	.	H	α-helix	trans	-67.2	-41	179.7	-87.3	-97.6	0	0	0	111.8	V319 A320 K325 K326 Y327 G328 L330 L349 P350 M353	V319-F323 HydrophobicContact CG1-CD2 3.8Å; V319-F323 HydrophobicContact CG1-CE2 3.95Å; V319-F323 VanDerWaalsContact O-CD2 3.31Å; V319-F323 WeakPolarHBondContact O-CD2 3.3Å; V319-F323 PolarHBondContact O-N 2.94Å; A320-F323 PolarHBondContact O-N 2.75Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 3.11Å; F323-K326 PolarHBondContact O-N 3.27Å; F323-Y327 AromaticContact CD1-CD2 3.5Å; F323-Y327 HydrophobicContact CD1-CD2 3.5Å; F323-Y327 HydrophobicContact CD1-CE2 4.15Å; F323-Y327 HydrophobicContact CD1-CG 4.33Å; F323-Y327 AromaticContact CE1-CD2 3.74Å; F323-Y327 HydrophobicContact CE1-CD2 3.74Å; F323-Y327 AromaticContact CE1-CE2 3.98Å; F323-Y327 HydrophobicContact CE1-CE2 3.98Å; F323-Y327 HydrophobicContact CG-CD2 4.2Å; F323-Y327 HydrophobicContact CZ-CE2 4.49Å; F323-Y327 PolarHBondContact O-N 3.47Å; F323-G328 CarbonylContact C-O 3.57Å; F323-G328 PolarHBondContact O-N 2.85Å; F323-L330 HydrophobicContact CB-CD2 3.72Å; F323-L330 HydrophobicContact CB-CG 4.15Å; F323-L330 HydrophobicContact CD1-CD2 4.14Å; F323-L330 HydrophobicContact CG-CD2 3.98Å; F323-L349 HydrophobicContact CZ-CD2 4.06Å; F323-P350 HydrophobicContact CD2-CG 4.01Å; F323-P350 HydrophobicContact CE2-CG 3.97Å; F323-P350 HydrophobicContact CG-CG 4.31Å; F323-P350 VanDerWaalsContact CZ-CD 3.43Å; F323-P350 HydrophobicContact CZ-CG 4.24Å; F323-M353 HydrophobicContact CD1-CE 4.4Å; F323-M353 HydrophobicContact CD1-CG 4.07Å; F323-M353 HydrophobicContact CE1-CB 4.25Å; F323-M353 HydrophobicContact CE1-CG 3.71Å; F323-M353 HydrophobicContact CE1-SD 4.47Å
324	R	87.4	Confident	83.7	Confident	151 Å²	151	66.9 Å²	66.9	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-54.1	-44.1	174.3	-165.7	-163	-38.3	-150.5	3.9	112.1	A320 D321 G328 A329	A320-R324 VanDerWaalsContact O-CB 3.26Å; A320-R324 WeakPolarHBondContact O-CB 3.23Å; A320-R324 PolarHBondContact O-N 2.69Å; D321-R324 PolarHBondContact O-N 3.43Å; D321-R324 IonicContact OD1-CZ 2.98Å; D321-R324 IonicContact OD1-NE 2.76Å; D321-R324 IonicContact OD1-NH2 2.8Å; D321-R324 PolarHBondContact OD1-NH2 2.96Å; R324-G328 VanDerWaalsContact CA-O 3.32Å; R324-G328 WeakPolarHBondContact CA-O 3.39Å; R324-G328 PolarHBondContact N-O 3.39Å; R324-A329 HydrophobicContact CG-CB 4.28Å
325	K	85.4	Confident	85.1	Confident	185 Å²	185	64.2 Å²	64.2	80%	0.804	31%	0.314	S	S	*	.	H	α-helix	trans	-71.8	-35.1	-179.8	-173	175	179.4	178.8	0	113	D321 Y322 F323	D321-K325 WeakPolarHBondContact O-CB 3.49Å; D321-K325 PolarHBondContact O-N 3.46Å; Y322-K325 PolarHBondContact O-N 3.03Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 3.11Å
326	K	82.6	Confident	86.3	Confident	120 Å²	120	58 Å²	58	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-102.5	-36.1	-169.3	-170.8	168.7	179.5	171.3	0	115.6	Y322 F323	Y322-K326 HydrophobicContact CE1-CD 4.1Å; Y322-K326 HydrophobicContact CE2-CD 4.44Å; Y322-K326 WeakPolarHBondContact O-CB 3.3Å; Y322-K326 PolarHBondContact O-N 3.35Å; Y322-K326 VanDerWaalsContact O-N 3.08Å; Y322-K326 WeakPolarHBondContact OH-CD 3.33Å; Y322-K326 PolarHBondContact OH-NZ 3.16Å; F323-K326 PolarHBondContact O-N 3.27Å
327	Y	83.5	Confident	87.2	Confident	75 Å²	75	52.2 Å²	52.2	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-26.3	-173.7	-54.8	-77.1	0	0	0	113.3	C288 R289 Y322 F323	C288-Y327 HydrophobicContact CB-CD1 4.16Å; C288-Y327 HydrophobicContact CB-CG 4.45Å; R289-Y327 PolarHBondContact NE-OH 2.85Å; R289-Y327 PolarHBondContact NH2-OH 3.4Å; Y322-Y327 HydrophobicContact CE1-CE2 4.16Å; F323-Y327 AromaticContact CD1-CD2 3.5Å; F323-Y327 HydrophobicContact CD1-CD2 3.5Å; F323-Y327 HydrophobicContact CD1-CE2 4.15Å; F323-Y327 HydrophobicContact CD1-CG 4.33Å; F323-Y327 AromaticContact CE1-CD2 3.74Å; F323-Y327 HydrophobicContact CE1-CD2 3.74Å; F323-Y327 AromaticContact CE1-CE2 3.98Å; F323-Y327 HydrophobicContact CE1-CE2 3.98Å; F323-Y327 HydrophobicContact CG-CD2 4.2Å; F323-Y327 HydrophobicContact CZ-CE2 4.49Å; F323-Y327 PolarHBondContact O-N 3.47Å
328	G	85.3	Confident	87.7	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	25%	0.251	S	S	.	.			trans	133.3	164.1	-175.5	0	0	0	0	0	112.2	F323 R324	F323-G328 CarbonylContact C-O 3.57Å; F323-G328 PolarHBondContact O-N 2.85Å; R324-G328 VanDerWaalsContact CA-O 3.32Å; R324-G328 WeakPolarHBondContact CA-O 3.39Å; R324-G328 PolarHBondContact N-O 3.39Å
329	A	88.7	Confident	88.1	Confident	74 Å²	74	48.5 Å²	48.5	61%	0.612	24%	0.241	S	C	*	.			trans	-64.4	137	179.4	0	0	0	0	0	111	R324	R324-A329 HydrophobicContact CG-CB 4.28Å
330	L	88.9	Confident	88.3	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.099	24%	0.244	C	C	.	.			trans	-66.5	138.6	176.5	-60.8	179.7	0	0	0	110.6	A304 A320 F323 P333 P350 E352 M353	A304-L330 HydrophobicContact CB-CD1 4.38Å; A320-L330 HydrophobicContact CB-CD1 4.03Å; F323-L330 HydrophobicContact CB-CD2 3.72Å; F323-L330 HydrophobicContact CB-CG 4.15Å; F323-L330 HydrophobicContact CD1-CD2 4.14Å; F323-L330 HydrophobicContact CG-CD2 3.98Å; L330-P333 HydrophobicContact CB-CB 4.33Å; L330-P350 HydrophobicContact CD1-CB 4.12Å; L330-P350 HydrophobicContact CD1-CG 3.68Å; L330-P350 HydrophobicContact CD2-CB 4.01Å; L330-P350 HydrophobicContact CD2-CG 3.73Å; L330-P350 HydrophobicContact CG-CG 4.39Å; L330-E352 WeakPolarHBondContact CA-OE1 3.33Å; L330-E352 WeakPolarHBondContact CB-OE1 3.38Å; L330-E352 HydrophobicContact CD2-CG 4.48Å; L330-E352 WeakPolarHBondContact CD2-OE1 3.43Å; L330-M353 HydrophobicContact CD2-CE 3.79Å
331	Q	89.9	Confident	88	Confident	133 Å²	133	51 Å²	51	62%	0.621	26%	0.264	S	S	*	.	S	Bend	trans	-78.4	-35	177.9	-66.9	-175.3	10.1	0	0	111.4	S263 P333 E352	S263-Q331 WeakPolarHBondContact CA-O 3.4Å; S263-Q331 WeakPolarHBondContact CB-O 3.2Å; Q331-P333 WeakPolarHBondContact O-CD 3.22Å; Q331-E352 PolarHBondContact N-OE1 3.33Å; Q331-E352 PolarHBondContact N-OE2 2.93Å
332	Y	90.7	Very high	87.5	Confident	40 Å²	40	50.8 Å²	50.8	16%	0.157	27%	0.267	C	S	.	.			trans	-125.9	61.8	-176.2	-45.7	-66	0	0	0	111.2	L240 I261 C334 M335 E352	L240-Y332 HydrophobicContact CD2-CD2 3.33Å; L240-Y332 HydrophobicContact CD2-CE2 3.34Å; L240-Y332 HydrophobicContact CD2-CG 4.18Å; I261-Y332 HydrophobicContact CB-CD1 4.14Å; I261-Y332 HydrophobicContact CB-CE1 4Å; I261-Y332 HydrophobicContact CG2-CD1 3.46Å; I261-Y332 VanDerWaalsContact CG2-CD1 3.46Å; I261-Y332 HydrophobicContact CG2-CE1 3.85Å; I261-Y332 HydrophobicContact CG2-CG 4.07Å; I261-Y332 WeakPolarHBondContact O-CE1 3.36Å; Y332-C334 PolarHBondContact O-N 2.8Å; Y332-C334 VanDerWaalsContact O-N 3.13Å; Y332-M335 WeakPolarHBondContact O-CB 3.32Å; Y332-M335 PolarHBondContact O-N 2.84Å; Y332-E352 WeakPolarHBondContact CA-OE2 3.3Å; Y332-E352 WeakPolarHBondContact CB-OE2 3.39Å; Y332-E352 HydrophobicContact CD2-CB 4.06Å; Y332-E352 WeakPolarHBondContact CD2-OE2 3.27Å; Y332-E352 PolarHBondContact N-OE2 2.83Å
333	P	88.8	Confident	86.8	Confident	32 Å²	32	58.1 Å²	58.1	21%	0.208	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.1	-175.1	24.4	-34.9	0	0	0	114.3	S263 A304 A305 L330 Q331	S263-P333 WeakPolarHBondContact O-CD 3.07Å; A304-P333 PolarHBondContact N-O 3.14Å; A305-P333 HydrophobicContact CB-CB 3.98Å; A305-P333 WeakPolarHBondContact CB-O 3.13Å; A305-P333 PolarHBondContact N-O 2.85Å; L330-P333 HydrophobicContact CB-CB 4.33Å; Q331-P333 WeakPolarHBondContact O-CD 3.22Å
334	C	91.2	Very high	86.1	Confident	32 Å²	32	63 Å²	63	22%	0.216	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.9	177	-68.6	0	0	0	0	114.2	T265 A266 Y332	T265-C334 CarbonylContact O-C 3.6Å; T265-C334 VanDerWaalsContact O-CB 3.27Å; T265-C334 WeakPolarHBondContact O-CB 3.31Å; A266-C334 HydrophobicContact CB-CB 4.29Å; Y332-C334 PolarHBondContact O-N 2.8Å; Y332-C334 VanDerWaalsContact O-N 3.13Å
335	M	92.8	Very high	85.5	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.025	34%	0.342	C	S	.	.	S	Bend	trans	-79.7	163.4	172.9	-72.1	-62.6	-75.4	0	0	111.5	L240 I243 I261 L267 A304 Y332 V351	L240-M335 HydrophobicContact CD1-CE 3.45Å; L240-M335 VanDerWaalsContact CD1-CE 3.45Å; L240-M335 HydrophobicContact CD1-CG 4.17Å; I243-M335 HydrophobicContact CG2-CE 4.01Å; I261-M335 HydrophobicContact CD1-CE 4.4Å; I261-M335 HydrophobicContact CG2-CG 4.27Å; L267-M335 HydrophobicContact CD2-CE 4.25Å; L267-M335 HydrophobicContact CD2-SD 4.4Å; L267-M335 HydrophobicContact CG-CE 4.44Å; L267-M335 HydrophobicContact CG-SD 4.38Å; A304-M335 PolarHBondContact N-O 3.18Å; Y332-M335 WeakPolarHBondContact O-CB 3.32Å; Y332-M335 PolarHBondContact O-N 2.84Å; M335-V351 HydrophobicContact CB-CG2 3.91Å
336	P	94.3	Very high	85	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.314	C	S	.	.			trans	-59.5	158.1	-176.4	-27.3	36.3	0	0	0	114.6	L267 W272 V301 P302 V351	L267-P336 HydrophobicContact CD1-CG 3.66Å; L267-P336 HydrophobicContact CG-CG 4.47Å; W272-P336 HydrophobicContact CE3-CG 4.11Å; W272-P336 HydrophobicContact CH2-CB 4.45Å; W272-P336 HydrophobicContact CZ3-CB 3.78Å; W272-P336 HydrophobicContact CZ3-CG 3.78Å; V301-P336 WeakPolarHBondContact O-CA 3.4Å; V301-P336 VanDerWaalsContact O-CB 3.28Å; V301-P336 WeakPolarHBondContact O-CB 3.49Å; P302-P336 WeakPolarHBondContact O-CA 3.25Å; P336-V351 HydrophobicContact CB-CG1 3.99Å; P336-V351 VanDerWaalsContact O-CG1 3.22Å; P336-V351 WeakPolarHBondContact O-CG1 3.22Å; P336-V351 WeakPolarHBondContact O-CG2 3.5Å; P336-V351 PolarHBondContact O-N 3.06Å
337	A	93.2	Very high	85	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143	161.1	0	0	0	0	0	109.5	A300 V301 A304 Y348 L349	A300-A337 WeakPolarHBondContact CA-O 2.97Å; V301-A337 HydrophobicContact CG2-CB 3.84Å; V301-A337 PolarHBondContact N-O 3.22Å; V301-A337 PolarHBondContact O-N 3.35Å; A304-A337 HydrophobicContact CB-CB 3.85Å; A337-Y348 HydrophobicContact CB-CD1 4.49Å; A337-L349 CarbonylContact C-O 3.47Å; A337-L349 VanDerWaalsContact CA-O 3.23Å; A337-L349 WeakPolarHBondContact CA-O 3.26Å; A337-L349 WeakPolarHBondContact CB-O 3.45Å
338	V	93.6	Very high	85.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.9	179	-65.2	0	0	0	0	110.6	L239 L279 I297 A300 Y348 L349 V351	L239-V338 HydrophobicContact CD2-CG1 3.87Å; L239-V338 HydrophobicContact CD2-CG2 4.13Å; L279-V338 HydrophobicContact CD1-CG1 3.94Å; I297-V338 HydrophobicContact CD1-CB 4.05Å; I297-V338 HydrophobicContact CD1-CG1 3.87Å; I297-V338 HydrophobicContact CD1-CG2 4.22Å; I297-V338 HydrophobicContact CG1-CB 3.99Å; I297-V338 HydrophobicContact CG1-CG1 4.33Å; I297-V338 HydrophobicContact CG1-CG2 4.19Å; I297-V338 HydrophobicContact CG2-CB 3.93Å; I297-V338 HydrophobicContact CG2-CG1 4.14Å; A300-V338 HydrophobicContact CB-CG1 4.36Å; V338-Y348 CarbonylContact O-C 3.57Å; V338-Y348 WeakPolarHBondContact O-CA 3.49Å; V338-L349 HydrophobicContact CG2-CB 4.2Å; V338-L349 PolarHBondContact N-O 3.28Å; V338-L349 PolarHBondContact O-N 3.02Å; V338-V351 HydrophobicContact CG1-CG1 4.11Å
339	G	90.3	Very high	85.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.7	177.3	0	0	0	0	0	111.3	I298 D299 C346 V347	I298-G339 WeakPolarHBondContact CG1-O 3.32Å; I298-G339 PolarHBondContact N-O 2.81Å; D299-G339 PolarHBondContact N-O 2.88Å; D299-G339 PolarHBondContact O-N 2.82Å; G339-C346 WeakPolarHBondContact CA-SG 3.49Å; G339-V347 WeakPolarHBondContact CA-O 3.43Å
340	I	86.6	Confident	85.7	Confident	14 Å²	14	47.1 Å²	47.1	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	164.7	176.1	61.5	158.9	0	0	0	110.7	Y295 C346 V347 L349	Y295-I340 HydrophobicContact CD1-CD1 3.88Å; Y295-I340 HydrophobicContact CD2-CD1 3.82Å; Y295-I340 HydrophobicContact CE1-CD1 4.29Å; Y295-I340 HydrophobicContact CE2-CD1 4.24Å; Y295-I340 HydrophobicContact CG-CB 4.4Å; Y295-I340 HydrophobicContact CG-CD1 3.61Å; Y295-I340 HydrophobicContact CG-CG2 4.48Å; I340-C346 WeakPolarHBondContact O-CA 3.39Å; I340-V347 HydrophobicContact CG1-CB 4.16Å; I340-V347 VanDerWaalsContact CG1-O 3.32Å; I340-V347 WeakPolarHBondContact CG1-O 3.33Å; I340-V347 PolarHBondContact N-O 3.26Å; I340-V347 PolarHBondContact O-N 2.92Å; I340-L349 HydrophobicContact CD1-CD1 3.56Å; I340-L349 HydrophobicContact CD1-CG 4.26Å; I340-L349 HydrophobicContact CG1-CD1 4.02Å; I340-L349 HydrophobicContact CG1-CG 4.35Å; I340-L349 HydrophobicContact CG2-CD1 4.4Å
341	G	78.6	Confident	85.9	Confident	50 Å²	50	46.3 Å²	46.3	52%	0.515	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.4	-135.3	179.6	0	0	0	0	0	111.8	I298	I298-G341 WeakPolarHBondContact CD1-O 3.46Å
342	S	74.1	Confident	86	Confident	50 Å²	50	41.3 Å²	41.3	35%	0.35	23%	0.234	S	C	.	.			trans	-105.4	161.9	177.6	74.5	0	0	0	0	111.1	I298 S344 Q345 C346	I298-S342 WeakPolarHBondContact CD1-O 3.42Å; S342-S344 PolarHBondContact O-N 2.84Å; S342-S344 PolarHBondContact OG-N 2.8Å; S342-S344 PolarHBondContact OG-OG 3.41Å; S342-S344 VanDerWaalsContact OG-OG 3.11Å; S342-Q345 CarbonylContact O-C 3.54Å; S342-Q345 VanDerWaalsContact O-C 3.27Å; S342-Q345 PolarHBondContact O-N 2.81Å; S342-Q345 PolarHBondContact OG-N 3.27Å; S342-C346 WeakPolarHBondContact O-CA 3.4Å; S342-C346 PolarHBondContact O-N 3.05Å; S342-C346 VanDerWaalsContact O-N 3.15Å
343	K	71	Confident	86	Confident	204 Å²	204	40.9 Å²	40.9	89%	0.887	23%	0.234	S	C	*	.	S	Bend	trans	-61.5	-27.4	175.2	-68.9	-172.8	178.8	-179.4	0	112.9
344	S	71.7	Confident	86.2	Confident	108 Å²	108	39.4 Å²	39.4	76%	0.755	22%	0.224	S	C	*	.	S	Bend	trans	-86.7	-24.9	179.3	54	0	0	0	0	113.8	S342	S342-S344 PolarHBondContact O-N 2.84Å; S342-S344 PolarHBondContact OG-N 2.8Å; S342-S344 PolarHBondContact OG-OG 3.41Å; S342-S344 VanDerWaalsContact OG-OG 3.11Å
345	Q	73.6	Confident	86.4	Confident	155 Å²	155	39.5 Å²	39.5	72%	0.724	22%	0.222	S	C	*	.	S	Bend	trans	-135	66.8	179.1	-68.5	-172.5	-23.8	0	0	109.8	S342	S342-Q345 CarbonylContact O-C 3.54Å; S342-Q345 VanDerWaalsContact O-C 3.27Å; S342-Q345 PolarHBondContact O-N 2.81Å; S342-Q345 PolarHBondContact OG-N 3.27Å
346	C	75.8	Confident	86.5	Confident	33 Å²	33	39.3 Å²	39.3	22%	0.223	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.4	-178.8	-168.4	0	0	0	0	110.5	G339 I340 S342 Y348	G339-C346 WeakPolarHBondContact CA-SG 3.49Å; I340-C346 WeakPolarHBondContact O-CA 3.39Å; S342-C346 WeakPolarHBondContact O-CA 3.4Å; S342-C346 PolarHBondContact O-N 3.05Å; S342-C346 VanDerWaalsContact O-N 3.15Å; C346-Y348 HydrophobicContact CB-CE2 4.04Å
347	V	82.6	Confident	86.2	Confident	77 Å²	77	39.4 Å²	39.4	47%	0.467	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.4	174	179	0	0	0	0	108.7	G339 I340 L349	G339-V347 WeakPolarHBondContact CA-O 3.43Å; I340-V347 HydrophobicContact CG1-CB 4.16Å; I340-V347 VanDerWaalsContact CG1-O 3.32Å; I340-V347 WeakPolarHBondContact CG1-O 3.33Å; I340-V347 PolarHBondContact N-O 3.26Å; I340-V347 PolarHBondContact O-N 2.92Å; V347-L349 HydrophobicContact CG1-CD2 4.49Å
348	Y	88.2	Confident	85.9	Confident	25 Å²	25	41.6 Å²	41.6	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.3	-178.8	-70.6	-90.9	0	0	0	112.5	D299 V301 H307 L309 A337 V338 C346	D299-Y348 PolarHBondContact OD2-OH 3.12Å; D299-Y348 VanDerWaalsContact OD2-OH 3.05Å; V301-Y348 HydrophobicContact CB-CE1 4.41Å; V301-Y348 HydrophobicContact CG1-CD1 4.31Å; V301-Y348 HydrophobicContact CG1-CE1 3.65Å; V301-Y348 HydrophobicContact CG2-CD1 3.82Å; V301-Y348 HydrophobicContact CG2-CE1 4.02Å; H307-Y348 AromaticContact CD2-CD2 3.43Å; H307-Y348 VanDerWaalsContact CD2-CD2 3.43Å; H307-Y348 WeakPolarHBondContact CD2-CD2 3.17Å; H307-Y348 AromaticContact CD2-CE2 3.71Å; H307-Y348 AromaticContact CD2-CG 3.68Å; H307-Y348 AromaticContact CE1-CE2 3.96Å; H307-Y348 AromaticContact NE2-CD2 3.28Å; H307-Y348 VanDerWaalsContact NE2-CD2 3.28Å; H307-Y348 WeakPolarHBondContact NE2-CD2 3.47Å; H307-Y348 AromaticContact NE2-CE2 3.04Å; H307-Y348 WeakPolarHBondContact NE2-CE2 3.32Å; H307-Y348 AromaticContact NE2-CG 3.92Å; H307-Y348 AromaticContact NE2-CZ 3.52Å; L309-Y348 HydrophobicContact CD2-CD2 4.15Å; A337-Y348 HydrophobicContact CB-CD1 4.49Å; V338-Y348 CarbonylContact O-C 3.57Å; V338-Y348 WeakPolarHBondContact O-CA 3.49Å; C346-Y348 HydrophobicContact CB-CE2 4.04Å
349	L	90.3	Very high	85.5	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.3	179.2	-59.6	175.7	0	0	0	109.6	T286 F323 A337 V338 I340 V347 V351	T286-L349 HydrophobicContact CG2-CD1 3.71Å; T286-L349 HydrophobicContact CG2-CD2 4.43Å; F323-L349 HydrophobicContact CZ-CD2 4.06Å; A337-L349 CarbonylContact C-O 3.47Å; A337-L349 VanDerWaalsContact CA-O 3.23Å; A337-L349 WeakPolarHBondContact CA-O 3.26Å; A337-L349 WeakPolarHBondContact CB-O 3.45Å; V338-L349 HydrophobicContact CG2-CB 4.2Å; V338-L349 PolarHBondContact N-O 3.28Å; V338-L349 PolarHBondContact O-N 3.02Å; I340-L349 HydrophobicContact CD1-CD1 3.56Å; I340-L349 HydrophobicContact CD1-CG 4.26Å; I340-L349 HydrophobicContact CG1-CD1 4.02Å; I340-L349 HydrophobicContact CG1-CG 4.35Å; I340-L349 HydrophobicContact CG2-CD1 4.4Å; V347-L349 HydrophobicContact CG1-CD2 4.49Å; L349-V351 PolarHBondContact O-N 3.16Å
350	P	92.8	Very high	85.5	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	138.4	171	-25.6	35.6	0	0	0	111.1	A304 V319 F323 L330 E352 M353	A304-P350 HydrophobicContact CB-CB 4.35Å; A304-P350 HydrophobicContact CB-CG 4.35Å; V319-P350 HydrophobicContact CG1-CG 3.57Å; F323-P350 HydrophobicContact CD2-CG 4.01Å; F323-P350 HydrophobicContact CE2-CG 3.97Å; F323-P350 HydrophobicContact CG-CG 4.31Å; F323-P350 VanDerWaalsContact CZ-CD 3.43Å; F323-P350 HydrophobicContact CZ-CG 4.24Å; L330-P350 HydrophobicContact CD1-CB 4.12Å; L330-P350 HydrophobicContact CD1-CG 3.68Å; L330-P350 HydrophobicContact CD2-CB 4.01Å; L330-P350 HydrophobicContact CD2-CG 3.73Å; L330-P350 HydrophobicContact CG-CG 4.39Å; P350-E352 HydrophobicContact CB-CG 4.07Å; P350-E352 PolarHBondContact O-N 3.26Å; P350-E352 VanDerWaalsContact O-N 3.12Å; P350-M353 HydrophobicContact CB-CG 4.27Å; P350-M353 WeakPolarHBondContact O-CB 3.33Å; P350-M353 PolarHBondContact O-N 3.32Å
351	V	93.6	Very high	85.6	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28	-176.3	-69.1	0	0	0	0	113.6	L239 L240 I243 M335 P336 V338 L349 M353 C354	L239-V351 HydrophobicContact CD2-CB 4.24Å; L239-V351 HydrophobicContact CD2-CG1 3.94Å; L239-V351 HydrophobicContact CG-CB 4.44Å; L239-V351 HydrophobicContact CG-CG1 4.41Å; L240-V351 HydrophobicContact CD1-CG2 3.97Å; I243-V351 HydrophobicContact CD1-CB 4Å; I243-V351 HydrophobicContact CD1-CG1 3.69Å; I243-V351 HydrophobicContact CD1-CG2 4.06Å; M335-V351 HydrophobicContact CB-CG2 3.91Å; P336-V351 HydrophobicContact CB-CG1 3.99Å; P336-V351 VanDerWaalsContact O-CG1 3.22Å; P336-V351 WeakPolarHBondContact O-CG1 3.22Å; P336-V351 WeakPolarHBondContact O-CG2 3.5Å; P336-V351 PolarHBondContact O-N 3.06Å; V338-V351 HydrophobicContact CG1-CG1 4.11Å; L349-V351 PolarHBondContact O-N 3.16Å; V351-M353 PolarHBondContact O-N 2.76Å; V351-C354 PolarHBondContact O-N 3.02Å
352	E	92.2	Very high	86.2	Confident	28 Å²	28	49 Å²	49	13%	0.131	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.7	175.3	66	-178.7	-147.1	0	0	113.4	L330 Q331 Y332 P350	L330-E352 WeakPolarHBondContact CA-OE1 3.33Å; L330-E352 WeakPolarHBondContact CB-OE1 3.38Å; L330-E352 HydrophobicContact CD2-CG 4.48Å; L330-E352 WeakPolarHBondContact CD2-OE1 3.43Å; Q331-E352 PolarHBondContact N-OE1 3.33Å; Q331-E352 PolarHBondContact N-OE2 2.93Å; Y332-E352 WeakPolarHBondContact CA-OE2 3.3Å; Y332-E352 WeakPolarHBondContact CB-OE2 3.39Å; Y332-E352 HydrophobicContact CD2-CB 4.06Å; Y332-E352 WeakPolarHBondContact CD2-OE2 3.27Å; Y332-E352 PolarHBondContact N-OE2 2.83Å; P350-E352 HydrophobicContact CB-CG 4.07Å; P350-E352 PolarHBondContact O-N 3.26Å; P350-E352 VanDerWaalsContact O-N 3.12Å
353	M	91	Very high	86.7	Confident	32 Å²	32	50 Å²	50	16%	0.158	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-97.8	3.4	177.6	-59.8	-64.1	169	0	0	112.6	T286 I287 C288 F323 L330 P350 V351	T286-M353 CarbonylContact C-O 3.48Å; T286-M353 WeakPolarHBondContact CA-O 3.41Å; I287-M353 PolarHBondContact N-O 2.67Å; C288-M353 HydrophobicContact CB-SD 3.95Å; F323-M353 HydrophobicContact CD1-CE 4.4Å; F323-M353 HydrophobicContact CD1-CG 4.07Å; F323-M353 HydrophobicContact CE1-CB 4.25Å; F323-M353 HydrophobicContact CE1-CG 3.71Å; F323-M353 HydrophobicContact CE1-SD 4.47Å; L330-M353 HydrophobicContact CD2-CE 3.79Å; P350-M353 HydrophobicContact CB-CG 4.27Å; P350-M353 WeakPolarHBondContact O-CB 3.33Å; P350-M353 PolarHBondContact O-N 3.32Å; V351-M353 PolarHBondContact O-N 2.76Å
354	C	93.5	Very high	87.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.4	-174.9	-64.6	0	0	0	0	112	L239 V284 N285 I287 V351	L239-C354 HydrophobicContact CB-CB 3.65Å; L239-C354 WeakPolarHBondContact CB-O 3.36Å; L239-C354 HydrophobicContact CD2-CB 3.53Å; L239-C354 HydrophobicContact CG-CB 4.24Å; L239-C354 PolarHBondContact N-O 3.17Å; V284-C354 HydrophobicContact CB-CB 4.31Å; V284-C354 HydrophobicContact CG2-CB 4.4Å; N285-C354 CarbonylContact O-C 3.56Å; N285-C354 WeakPolarHBondContact O-CA 3.45Å; I287-C354 WeakPolarHBondContact CD1-O 3.26Å; V351-C354 PolarHBondContact O-N 3.02Å
355	L	94.6	Very high	87.6	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.183	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.2	178.6	-172.4	75.8	0	0	0	109.7	Q237 V284 N285 I287	Q237-L355 VanDerWaalsContact C-CD1 3.47Å; Q237-L355 WeakPolarHBondContact O-CD1 3.45Å; V284-L355 CarbonylContact C-O 3.51Å; V284-L355 VanDerWaalsContact CA-O 3.3Å; V284-L355 WeakPolarHBondContact CA-O 3.37Å; N285-L355 PolarHBondContact N-O 3.14Å; N285-L355 PolarHBondContact O-N 2.84Å; I287-L355 HydrophobicContact CD1-CB 4.24Å; I287-L355 HydrophobicContact CG1-CB 3.75Å
356	I	94.3	Very high	88.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.6	168.5	-57.6	179.7	0	0	0	108.2	Y234 R236 Q237 L239 Y242 L282 V284 L360	Y234-I356 HydrophobicContact CG-CG2 4.36Å; R236-I356 WeakPolarHBondContact CA-O 3.29Å; R236-I356 WeakPolarHBondContact CG-O 3.28Å; Q237-I356 HydrophobicContact CG-CD1 4.31Å; Q237-I356 PolarHBondContact O-N 2.72Å; L239-I356 HydrophobicContact CD1-CD1 4.08Å; L239-I356 HydrophobicContact CD1-CG1 3.96Å; Y242-I356 HydrophobicContact CD1-CD1 3.89Å; Y242-I356 HydrophobicContact CD2-CD1 3.77Å; Y242-I356 HydrophobicContact CE2-CD1 4.45Å; Y242-I356 HydrophobicContact CG-CD1 3.45Å; Y242-I356 VanDerWaalsContact CG-CD1 3.45Å; L282-I356 HydrophobicContact CD1-CD1 4.43Å; L282-I356 HydrophobicContact CD1-CG2 4.33Å; L282-I356 HydrophobicContact CD2-CD1 3.78Å; L282-I356 HydrophobicContact CD2-CG1 4.05Å; V284-I356 HydrophobicContact CG1-CG1 4.45Å; I356-L360 HydrophobicContact CG2-CD2 4.28Å
357	P	89.1	Confident	88.7	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.026	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-68.1	162.1	-179.2	26	-31.1	0	0	0	112.2	H283 N285 Q294 L360	H283-P357 VanDerWaalsContact O-CD 3.22Å; H283-P357 WeakPolarHBondContact O-CD 3.37Å; N285-P357 WeakPolarHBondContact OD1-CB 3.33Å; N285-P357 WeakPolarHBondContact OD1-CG 3.49Å; Q294-P357 HydrophobicContact CG-CB 4.49Å; Q294-P357 HydrophobicContact CG-CG 4.29Å; P357-L360 HydrophobicContact CG-CB 4.45Å; P357-L360 HydrophobicContact CG-CD2 4.5Å
358	E	86.3	Confident	88.8	Confident	46 Å²	46	32.7 Å²	32.7	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	152.8	170.5	-162.2	65.6	-66.8	0	0	109.5	V194 K197 R207 R236 L360	V194-E358 HydrophobicContact CG1-CG 3.84Å; K197-E358 IonicContact NZ-OE1 3.66Å; K197-E358 IonicContact NZ-OE2 2.86Å; K197-E358 PolarHBondContact NZ-OE2 3.45Å; R207-E358 IonicContact CZ-OE1 3.5Å; R207-E358 IonicContact NH2-OE1 3.64Å; R207-E358 PolarHBondContact NH2-OE1 2.89Å; R207-E358 IonicContact NH2-OE2 3.49Å; R236-E358 HydrophobicContact CB-CB 4.31Å; E358-L360 VanDerWaalsContact C-N 3.3Å; E358-L360 PolarHBondContact O-N 3.4Å
359	K	85.5	Confident	88.5	Confident	66 Å²	66	38.5 Å²	38.5	29%	0.287	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	12.4	174.1	-46.7	175.6	-178.3	-177.8	0	115.9	P181 F184 C185 V194 R361	P181-K359 PolarHBondContact O-NZ 2.96Å; F184-K359 VanDerWaalsContact O-CE 3.3Å; F184-K359 WeakPolarHBondContact O-CE 3.34Å; F184-K359 PolarHBondContact O-NZ 2.93Å; C185-K359 HydrophobicContact CB-CB 4.09Å; C185-K359 HydrophobicContact CB-CD 3.98Å; C185-K359 HydrophobicContact CB-CG 4.03Å; V194-K359 HydrophobicContact CG2-CD 4.43Å; V194-K359 HydrophobicContact CG2-CG 4.07Å; K359-R361 PolarHBondContact O-N 2.86Å
360	L	89.2	Confident	88.1	Confident	29 Å²	29	42.1 Å²	42.1	15%	0.152	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-78.2	119	173.3	-171.9	65.3	0	0	0	110.7	F233 Y234 L282 H283 I356 P357 E358	F233-L360 CarbonylContact C-O 3.57Å; F233-L360 WeakPolarHBondContact CA-O 3.49Å; Y234-L360 HydrophobicContact CD2-CB 4.21Å; Y234-L360 HydrophobicContact CD2-CD2 3.69Å; Y234-L360 HydrophobicContact CD2-CG 3.74Å; Y234-L360 HydrophobicContact CE2-CD2 4.16Å; Y234-L360 HydrophobicContact CE2-CG 4.31Å; Y234-L360 HydrophobicContact CG-CD2 4.35Å; Y234-L360 PolarHBondContact N-O 2.89Å; L282-L360 HydrophobicContact CD1-CD2 3.52Å; H283-L360 HydrophobicContact CB-CD1 4.01Å; H283-L360 HydrophobicContact CB-CD2 3.92Å; I356-L360 HydrophobicContact CG2-CD2 4.28Å; P357-L360 HydrophobicContact CG-CB 4.45Å; P357-L360 HydrophobicContact CG-CD2 4.5Å; E358-L360 VanDerWaalsContact C-N 3.3Å; E358-L360 PolarHBondContact O-N 3.4Å
361	R	89.5	Confident	87.9	Confident	108 Å²	108	42.2 Å²	42.2	41%	0.408	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-62.4	137.4	175.9	-170.2	179.3	-178.4	172.3	2.1	110.4	I187 D188 E231 Y234 K359	I187-R361 HydrophobicContact CD1-CB 4.15Å; D188-R361 IonicContact OD2-NH1 3.6Å; D188-R361 PolarHBondContact OD2-NH1 3.24Å; E231-R361 HydrophobicContact CG-CG 4.14Å; E231-R361 IonicContact OE2-CZ 3.5Å; E231-R361 IonicContact OE2-NE 3.68Å; E231-R361 PolarHBondContact OE2-NE 2.92Å; E231-R361 IonicContact OE2-NH2 2.82Å; E231-R361 PolarHBondContact OE2-NH2 3.22Å; Y234-R361 WeakPolarHBondContact CD2-O 3.39Å; Y234-R361 VanDerWaalsContact CE2-O 3.24Å; Y234-R361 WeakPolarHBondContact CE2-O 3.43Å; K359-R361 PolarHBondContact O-N 2.86Å
362	Y	90.4	Very high	87.5	Confident	15 Å²	15	46.3 Å²	46.3	6%	0.059	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77	144.3	176	-155.1	-82.8	0	0	0	110.4	A204 T232 Y234 Y242 G364 K366 L367	A204-Y362 HydrophobicContact CB-CD2 3.62Å; A204-Y362 HydrophobicContact CB-CE2 3.55Å; A204-Y362 HydrophobicContact CB-CG 4.19Å; T232-Y362 WeakPolarHBondContact O-CB 3.42Å; T232-Y362 PolarHBondContact O-N 3.47Å; Y234-Y362 AromaticContact CD1-CD2 3.3Å; Y234-Y362 HydrophobicContact CD1-CD2 3.3Å; Y234-Y362 AromaticContact CD1-CE2 3.32Å; Y234-Y362 HydrophobicContact CD1-CE2 3.32Å; Y234-Y362 HydrophobicContact CD1-CG 4.34Å; Y234-Y362 HydrophobicContact CD2-CD2 4Å; Y234-Y362 HydrophobicContact CD2-CG 4.42Å; Y234-Y362 AromaticContact CE1-CD2 3.32Å; Y234-Y362 HydrophobicContact CE1-CD2 3.32Å; Y234-Y362 HydrophobicContact CE1-CE1 4.48Å; Y234-Y362 AromaticContact CE1-CE2 3.13Å; Y234-Y362 HydrophobicContact CE1-CE2 3.13Å; Y234-Y362 HydrophobicContact CE1-CG 4.09Å; Y234-Y362 AromaticContact CE1-CZ 3.78Å; Y234-Y362 HydrophobicContact CE2-CD2 4.06Å; Y234-Y362 HydrophobicContact CE2-CG 4.23Å; Y234-Y362 AromaticContact CG-CD2 3.64Å; Y234-Y362 HydrophobicContact CG-CD2 3.64Å; Y234-Y362 HydrophobicContact CG-CE2 4.15Å; Y234-Y362 HydrophobicContact CG-CG 4.49Å; Y234-Y362 AromaticContact CZ-CD2 3.72Å; Y234-Y362 AromaticContact CZ-CE2 3.88Å; Y242-Y362 HydrophobicContact CE2-CE2 4.48Å; Y242-Y362 PolarHBondContact OH-OH 2.73Å; Y362-G364 PolarHBondContact O-N 3.12Å; Y362-K366 HydrophobicContact CE1-CB 3.93Å; Y362-L367 HydrophobicContact CD1-CD2 3.6Å; Y362-L367 HydrophobicContact CD1-CG 3.93Å; Y362-L367 HydrophobicContact CE1-CD2 3.7Å; Y362-L367 HydrophobicContact CE1-CG 4.13Å; Y362-L367 HydrophobicContact CG-CD2 4.34Å
363	D	86	Confident	87.1	Confident	71 Å²	71	49.4 Å²	49.4	38%	0.38	26%	0.258	S	S	.	.			trans	-77.4	110.1	175.6	178.9	-4.1	0	0	0	109.9	A365 K366	D363-A365 PolarHBondContact O-N 3.39Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 VanDerWaalsContact OD1-CB 3.3Å; D363-A365 WeakPolarHBondContact OD1-CB 2.99Å; D363-A365 PolarHBondContact OD1-N 3.02Å; D363-K366 HydrophobicContact CB-CB 4.38Å; D363-K366 HydrophobicContact CB-CD 3.99Å; D363-K366 HydrophobicContact CB-CG 4.05Å; D363-K366 WeakPolarHBondContact O-CB 3.39Å; D363-K366 PolarHBondContact O-N 3.2Å; D363-K366 WeakPolarHBondContact OD2-CE 3.45Å
364	G	82.7	Confident	86.8	Confident	34 Å²	34	51.4 Å²	51.4	35%	0.351	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24	-178.8	0	0	0	0	0	114.3	Y362 K366 K372	Y362-G364 PolarHBondContact O-N 3.12Å; G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.3Å; G364-K372 WeakPolarHBondContact O-CE 3.5Å; G364-K372 PolarHBondContact O-NZ 3.38Å
365	A	79.4	Confident	86.5	Confident	83 Å²	83	51.9 Å²	51.9	69%	0.686	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.7	174.6	0	0	0	0	0	112.2	D363	D363-A365 PolarHBondContact O-N 3.39Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 VanDerWaalsContact OD1-CB 3.3Å; D363-A365 WeakPolarHBondContact OD1-CB 2.99Å; D363-A365 PolarHBondContact OD1-N 3.02Å
366	K	84.4	Confident	86	Confident	49 Å²	49	53.9 Å²	53.9	21%	0.213	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.3	-179.9	-63.2	-177.5	-176	177.9	0	114.1	A278 I280 Y362 D363 G364 L368	A278-K366 PolarHBondContact O-NZ 2.96Å; I280-K366 PolarHBondContact O-NZ 2.89Å; Y362-K366 HydrophobicContact CE1-CB 3.93Å; D363-K366 HydrophobicContact CB-CB 4.38Å; D363-K366 HydrophobicContact CB-CD 3.99Å; D363-K366 HydrophobicContact CB-CG 4.05Å; D363-K366 WeakPolarHBondContact O-CB 3.39Å; D363-K366 PolarHBondContact O-N 3.2Å; D363-K366 WeakPolarHBondContact OD2-CE 3.45Å; G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.3Å; K366-L368 PolarHBondContact O-N 2.84Å
367	L	86.5	Confident	85.4	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.063	31%	0.307	C	S	.	.			trans	-62.8	131.5	178.3	-69.9	173.7	0	0	0	111.4	A204 T232 Y362 Q371 K372 L375	A204-L367 HydrophobicContact CB-CD2 4.25Å; T232-L367 HydrophobicContact CG2-CD1 3.95Å; T232-L367 HydrophobicContact CG2-CD2 4.26Å; Y362-L367 HydrophobicContact CD1-CD2 3.6Å; Y362-L367 HydrophobicContact CD1-CG 3.93Å; Y362-L367 HydrophobicContact CE1-CD2 3.7Å; Y362-L367 HydrophobicContact CE1-CG 4.13Å; Y362-L367 HydrophobicContact CG-CD2 4.34Å; L367-Q371 HydrophobicContact CB-CB 4.38Å; L367-Q371 HydrophobicContact CD2-CB 4.05Å; L367-K372 HydrophobicContact CB-CD 4.46Å; L367-K372 HydrophobicContact CB-CG 3.78Å; L367-K372 HydrophobicContact CD1-CG 4.34Å; L367-K372 WeakPolarHBondContact O-CE 3.48Å; L367-L375 HydrophobicContact CD1-CD2 4.28Å
368	L	84.9	Confident	84.8	Confident	36 Å²	36	60 Å²	60	19%	0.188	32%	0.317	C	S	.	.			trans	-65.9	155.5	171.5	-59.7	178.6	0	0	0	110.7	R250 K366 V370 Q371 K372	R250-L368 HydrophobicContact CG-CD1 4.4Å; K366-L368 PolarHBondContact O-N 2.84Å; L368-V370 VanDerWaalsContact C-N 3.27Å; L368-V370 HydrophobicContact CB-CG1 4.28Å; L368-V370 PolarHBondContact O-N 3.31Å; L368-Q371 HydrophobicContact CB-CG 4.18Å; L368-Q371 WeakPolarHBondContact O-CA 3.42Å; L368-Q371 WeakPolarHBondContact O-CB 3.38Å; L368-Q371 PolarHBondContact O-N 3.36Å; L368-K372 PolarHBondContact O-N 2.9Å
369	H	81.5	Confident	84.7	Confident	147 Å²	147	62.5 Å²	62.5	68%	0.681	32%	0.324	S	S	*	.	H	α-helix	trans	-53	-44	178.8	-179.9	65.2	0	0	0	112.9	Q371 K372 M373	H369-Q371 VanDerWaalsContact C-N 3.32Å; H369-Q371 PolarHBondContact O-N 2.78Å; H369-K372 PolarHBondContact O-N 3.43Å; H369-M373 WeakPolarHBondContact O-CG 3.38Å; H369-M373 PolarHBondContact O-N 2.98Å
370	V	82.1	Confident	84.4	Confident	85 Å²	85	66 Å²	66	52%	0.515	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-35.9	177.2	68.3	0	0	0	0	112.6	L368 M373 L374	L368-V370 VanDerWaalsContact C-N 3.27Å; L368-V370 HydrophobicContact CB-CG1 4.28Å; L368-V370 PolarHBondContact O-N 3.31Å; V370-M373 PolarHBondContact O-N 2.76Å; V370-L374 WeakPolarHBondContact O-CG 3.14Å; V370-L374 PolarHBondContact O-N 2.84Å
371	Q	89	Confident	83.9	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.019	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-41.1	177.1	-65.5	174.3	-48.5	0	0	111	L200 K201 L367 L368 H369 M373 L374 L375	L200-Q371 HydrophobicContact CB-CG 4.3Å; L200-Q371 HydrophobicContact CD1-CB 4.38Å; L200-Q371 WeakPolarHBondContact O-CG 3.45Å; L200-Q371 PolarHBondContact O-NE2 2.95Å; K201-Q371 PolarHBondContact O-NE2 2.92Å; L367-Q371 HydrophobicContact CB-CB 4.38Å; L367-Q371 HydrophobicContact CD2-CB 4.05Å; L368-Q371 HydrophobicContact CB-CG 4.18Å; L368-Q371 WeakPolarHBondContact O-CA 3.42Å; L368-Q371 WeakPolarHBondContact O-CB 3.38Å; L368-Q371 PolarHBondContact O-N 3.36Å; H369-Q371 VanDerWaalsContact C-N 3.32Å; H369-Q371 PolarHBondContact O-N 2.78Å; Q371-M373 VanDerWaalsContact C-N 3.32Å; Q371-M373 PolarHBondContact O-N 2.89Å; Q371-L374 PolarHBondContact O-N 3.02Å; Q371-L375 WeakPolarHBondContact O-CB 3.3Å; Q371-L375 PolarHBondContact O-N 3.02Å
372	K	86.6	Confident	83.5	Confident	89 Å²	89	65.2 Å²	65.2	39%	0.387	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-40.8	172.7	-67	-176.6	178.6	-179.2	0	111.5	G364 L367 L368 H369 L375 N376	G364-K372 WeakPolarHBondContact O-CE 3.5Å; G364-K372 PolarHBondContact O-NZ 3.38Å; L367-K372 HydrophobicContact CB-CD 4.46Å; L367-K372 HydrophobicContact CB-CG 3.78Å; L367-K372 HydrophobicContact CD1-CG 4.34Å; L367-K372 WeakPolarHBondContact O-CE 3.48Å; L368-K372 PolarHBondContact O-N 2.9Å; H369-K372 PolarHBondContact O-N 3.43Å; K372-L375 PolarHBondContact O-N 3.32Å; K372-N376 WeakPolarHBondContact O-CB 3.34Å; K372-N376 PolarHBondContact O-N 2.94Å; K372-N376 PolarHBondContact O-ND2 2.99Å
373	M	82.8	Confident	83.1	Confident	93 Å²	93	64.5 Å²	64.5	46%	0.458	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-47.9	174.7	-74.5	-171.3	70.4	0	0	112.2	H369 V370 Q371 L375 N376 Q377	H369-M373 WeakPolarHBondContact O-CG 3.38Å; H369-M373 PolarHBondContact O-N 2.98Å; V370-M373 PolarHBondContact O-N 2.76Å; Q371-M373 VanDerWaalsContact C-N 3.32Å; Q371-M373 PolarHBondContact O-N 2.89Å; M373-L375 VanDerWaalsContact C-N 3.35Å; M373-L375 PolarHBondContact O-N 3.44Å; M373-N376 PolarHBondContact O-N 3.05Å; M373-Q377 WeakPolarHBondContact O-CG 3.22Å; M373-Q377 PolarHBondContact O-N 2.89Å
374	L	85.2	Confident	82.8	Confident	74 Å²	74	62.4 Å²	62.4	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178	-71.4	170.1	0	0	0	112.1	L200 V370 Q371 Q377 G378	L200-L374 HydrophobicContact CD2-CB 3.42Å; L200-L374 VanDerWaalsContact CD2-CB 3.42Å; L200-L374 HydrophobicContact CD2-CD1 3.82Å; L200-L374 HydrophobicContact CD2-CG 4.27Å; V370-L374 WeakPolarHBondContact O-CG 3.14Å; V370-L374 PolarHBondContact O-N 2.84Å; Q371-L374 PolarHBondContact O-N 3.02Å; L374-Q377 PolarHBondContact O-N 3.43Å; L374-G378 PolarHBondContact O-N 2.84Å
375	L	87.4	Confident	82.9	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-45.5	172.8	176.3	63.7	0	0	0	111.7	I206 T232 L367 Q371 K372 M373 G378 R379	I206-L375 HydrophobicContact CD1-CB 4.21Å; I206-L375 HydrophobicContact CD1-CD1 4.02Å; I206-L375 HydrophobicContact CG1-CD1 3.94Å; I206-L375 HydrophobicContact CG2-CD1 4.28Å; T232-L375 HydrophobicContact CG2-CD1 4.05Å; T232-L375 HydrophobicContact CG2-CD2 3.86Å; T232-L375 HydrophobicContact CG2-CG 4.41Å; L367-L375 HydrophobicContact CD1-CD2 4.28Å; Q371-L375 WeakPolarHBondContact O-CB 3.3Å; Q371-L375 PolarHBondContact O-N 3.02Å; K372-L375 PolarHBondContact O-N 3.32Å; M373-L375 VanDerWaalsContact C-N 3.35Å; M373-L375 PolarHBondContact O-N 3.44Å; L375-G378 PolarHBondContact O-N 3.28Å; L375-R379 WeakPolarHBondContact O-CG 3.33Å; L375-R379 PolarHBondContact O-N 3.45Å
376	N	84.5	Confident	83.4	Confident	78 Å²	78	60.1 Å²	60.1	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-38.5	178.3	-72.1	-13	0	0	0	111.9	K372 M373 R379 Q380	K372-N376 WeakPolarHBondContact O-CB 3.34Å; K372-N376 PolarHBondContact O-N 2.94Å; K372-N376 PolarHBondContact O-ND2 2.99Å; M373-N376 PolarHBondContact O-N 3.05Å; N376-R379 PolarHBondContact O-N 2.77Å; N376-R379 VanDerWaalsContact O-N 3.16Å; N376-Q380 WeakPolarHBondContact O-CG 3.35Å; N376-Q380 PolarHBondContact O-N 3.35Å
377	Q	80.2	Confident	83.6	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-43.3	172.3	-75.5	177	-16.3	0	0	111.6	M373 L374 R379 Q380	M373-Q377 WeakPolarHBondContact O-CG 3.22Å; M373-Q377 PolarHBondContact O-N 2.89Å; L374-Q377 PolarHBondContact O-N 3.43Å; Q377-R379 PolarHBondContact O-N 3.29Å; Q377-Q380 PolarHBondContact O-N 3.25Å; Q377-Q380 VanDerWaalsContact O-N 3.12Å
378	G	76.9	Confident	83.7	Confident	22 Å²	22	62.5 Å²	62.5	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-26.1	175.4	0	0	0	0	0	113.8	Y230 L374 L375 I381	Y230-G378 VanDerWaalsContact CE2-O 3.26Å; Y230-G378 WeakPolarHBondContact CE2-O 3.43Å; L374-G378 PolarHBondContact O-N 2.84Å; L375-G378 PolarHBondContact O-N 3.28Å; G378-I381 WeakPolarHBondContact O-CD1 3.5Å
379	R	83.8	Confident	84	Confident	97 Å²	97	63.1 Å²	63.1	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-82.4	-23.5	174.7	-69.9	169.6	176.4	178.6	-3.6	113	Y230 L375 N376 Q377 I381	Y230-R379 HydrophobicContact CD2-CG 4.11Å; Y230-R379 HydrophobicContact CG-CG 4.37Å; Y230-R379 PolarHBondContact O-NE 3.35Å; Y230-R379 VanDerWaalsContact O-NE 3.14Å; Y230-R379 PolarHBondContact O-NH2 2.94Å; L375-R379 WeakPolarHBondContact O-CG 3.33Å; L375-R379 PolarHBondContact O-N 3.45Å; N376-R379 PolarHBondContact O-N 2.77Å; N376-R379 VanDerWaalsContact O-N 3.16Å; Q377-R379 PolarHBondContact O-N 3.29Å; R379-I381 PolarHBondContact O-N 3.24Å
380	Q	78.6	Confident	84.5	Confident	140 Å²	140	56.1 Å²	56.1	65%	0.654	29%	0.285	S	S	*	.			trans	-86.7	86.9	179	-74.8	176.8	-12	0	0	109.9	N376 Q377	N376-Q380 WeakPolarHBondContact O-CG 3.35Å; N376-Q380 PolarHBondContact O-N 3.35Å; Q377-Q380 PolarHBondContact O-N 3.25Å; Q377-Q380 VanDerWaalsContact O-N 3.12Å
381	I	79.8	Confident	84.9	Confident	47 Å²	47	54.2 Å²	54.2	24%	0.241	27%	0.272	C	S	.	.			trans	-127.9	143.3	174.5	-55.8	173.6	0	0	0	106.8	Y230 G378 R379 T385	Y230-I381 HydrophobicContact CE2-CD1 4.14Å; Y230-I381 WeakPolarHBondContact OH-CD1 3.32Å; G378-I381 WeakPolarHBondContact O-CD1 3.5Å; R379-I381 PolarHBondContact O-N 3.24Å; I381-T385 HydrophobicContact CG2-CG2 3.6Å
382	D	80	Confident	85	Confident	73 Å²	73	56.8 Å²	56.8	39%	0.39	29%	0.286	S	S	.	.			trans	-56.9	147.3	176.1	75.2	-86.8	0	0	0	111.1	A384 T385 R386	D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.41Å; D382-A384 WeakPolarHBondContact OD2-CB 3.21Å; D382-A384 PolarHBondContact OD2-N 3.46Å; D382-A384 VanDerWaalsContact OD2-N 3.12Å; D382-T385 VanDerWaalsContact CG-OG1 3.26Å; D382-T385 PolarHBondContact O-N 2.96Å; D382-T385 WeakPolarHBondContact OD1-CB 3.38Å; D382-T385 PolarHBondContact OD1-OG1 3.2Å; D382-T385 PolarHBondContact OD2-N 2.92Å; D382-T385 PolarHBondContact OD2-OG1 3.06Å; D382-R386 WeakPolarHBondContact O-CB 3.21Å; D382-R386 PolarHBondContact O-N 3.27Å
383	T	82.9	Confident	85.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-29.7	-172.4	-46.1	0	0	0	0	113.3	R386 L387 Y733 E780 S781 N782	T383-R386 WeakPolarHBondContact O-CB 3.37Å; T383-R386 PolarHBondContact O-N 2.88Å; T383-L387 HydrophobicContact CG2-CG 4.4Å; T383-L387 WeakPolarHBondContact O-CB 3.29Å; T383-L387 VanDerWaalsContact O-CG 3.27Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.9Å; T383-Y733 HydrophobicContact CG2-CD1 4.46Å; T383-E780 PolarHBondContact OG1-O 3.23Å; T383-S781 PolarHBondContact OG1-O 2.81Å; T383-S781 VanDerWaalsContact OG1-O 3.04Å; T383-N782 WeakPolarHBondContact CB-ND2 3.24Å; T383-N782 HydrophobicContact CG2-CB 4.32Å; T383-N782 VanDerWaalsContact OG1-CB 3.23Å; T383-N782 WeakPolarHBondContact OG1-CB 3.14Å; T383-N782 PolarHBondContact OG1-ND2 2.83Å
384	A	80.6	Confident	85.6	Confident	26 Å²	26	48.6 Å²	48.6	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-46.8	179.6	0	0	0	0	0	110.8	D382 R386 L387 Q388	D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.41Å; D382-A384 WeakPolarHBondContact OD2-CB 3.21Å; D382-A384 PolarHBondContact OD2-N 3.46Å; D382-A384 VanDerWaalsContact OD2-N 3.12Å; A384-R386 VanDerWaalsContact C-N 3.31Å; A384-R386 PolarHBondContact O-N 3.37Å; A384-L387 PolarHBondContact O-N 2.84Å; A384-Q388 PolarHBondContact O-N 3.28Å
385	T	85.1	Confident	85.8	Confident	54 Å²	54	52 Å²	52	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-39.7	172.7	-58.2	0	0	0	0	111.2	I381 D382 L387 Q388 H389	I381-T385 HydrophobicContact CG2-CG2 3.6Å; D382-T385 VanDerWaalsContact CG-OG1 3.26Å; D382-T385 PolarHBondContact O-N 2.96Å; D382-T385 WeakPolarHBondContact OD1-CB 3.38Å; D382-T385 PolarHBondContact OD1-OG1 3.2Å; D382-T385 PolarHBondContact OD2-N 2.92Å; D382-T385 PolarHBondContact OD2-OG1 3.06Å; T385-L387 PolarHBondContact O-N 2.8Å; T385-Q388 PolarHBondContact O-N 3.2Å; T385-H389 PolarHBondContact O-CD2 3.36Å; T385-H389 VanDerWaalsContact O-CD2 3.32Å; T385-H389 PolarHBondContact O-N 3.08Å
386	R	88.4	Confident	85.8	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.057	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-49.6	174.2	-174.4	-176.9	-171.9	76.6	-2.5	112.1	D227 L228 D382 T383 A384 H389 C390 Y733	D227-R386 IonicContact OD1-CZ 3.21Å; D227-R386 IonicContact OD1-NE 3.74Å; D227-R386 PolarHBondContact OD1-NE 3.33Å; D227-R386 IonicContact OD1-NH2 3.95Å; D227-R386 PolarHBondContact OD1-NH2 3Å; D227-R386 IonicContact OD2-CZ 4Å; D227-R386 IonicContact OD2-NH2 2.66Å; D227-R386 PolarHBondContact OD2-NH2 3.3Å; L228-R386 HydrophobicContact CB-CG 3.94Å; L228-R386 HydrophobicContact CD2-CG 4.41Å; L228-R386 PolarHBondContact O-NH1 3.35Å; L228-R386 VanDerWaalsContact O-NH1 3.14Å; L228-R386 PolarHBondContact O-NH2 3.37Å; D382-R386 WeakPolarHBondContact O-CB 3.21Å; D382-R386 PolarHBondContact O-N 3.27Å; T383-R386 WeakPolarHBondContact O-CB 3.37Å; T383-R386 PolarHBondContact O-N 2.88Å; A384-R386 VanDerWaalsContact C-N 3.31Å; A384-R386 PolarHBondContact O-N 3.37Å; R386-H389 PolarHBondContact O-N 3.37Å; R386-C390 PolarHBondContact O-N 2.8Å; R386-C390 PolarHBondContact O-SG 3.18Å; R386-Y733 PolarHBondContact NH2-OH 3.15Å
387	L	89.3	Confident	85.9	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-41.7	178.4	-73.2	179.7	0	0	0	111.8	N38 T383 A384 T385 C390 L391 F416 T735	N38-L387 HydrophobicContact CB-CD2 3.43Å; N38-L387 VanDerWaalsContact CB-CD2 3.43Å; T383-L387 HydrophobicContact CG2-CG 4.4Å; T383-L387 WeakPolarHBondContact O-CB 3.29Å; T383-L387 VanDerWaalsContact O-CG 3.27Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.9Å; A384-L387 PolarHBondContact O-N 2.84Å; T385-L387 PolarHBondContact O-N 2.8Å; L387-C390 WeakPolarHBondContact O-CB 3.27Å; L387-C390 PolarHBondContact O-N 2.93Å; L387-L391 PolarHBondContact O-N 2.88Å; L387-L391 VanDerWaalsContact O-N 3.11Å; L387-F416 HydrophobicContact CB-CD2 4.29Å; L387-F416 HydrophobicContact CB-CE2 3.65Å; L387-F416 HydrophobicContact CB-CZ 4.15Å; L387-F416 HydrophobicContact CD1-CD2 4.47Å; L387-F416 HydrophobicContact CD2-CD1 4.33Å; L387-F416 HydrophobicContact CD2-CD2 4.2Å; L387-F416 HydrophobicContact CD2-CE1 4.01Å; L387-F416 HydrophobicContact CD2-CE2 3.87Å; L387-F416 HydrophobicContact CD2-CG 4.43Å; L387-F416 HydrophobicContact CD2-CZ 3.78Å; L387-F416 HydrophobicContact CG-CE2 4.23Å; L387-F416 WeakPolarHBondContact O-CE2 3.21Å; L387-F416 WeakPolarHBondContact O-CZ 3.4Å; L387-T735 HydrophobicContact CD1-CG2 3.63Å
388	Q	88.9	Confident	86.3	Confident	99 Å²	99	51.7 Å²	51.7	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-46.7	175.6	-175.4	57.5	49.7	0	0	111.2	A384 T385 C390 L391 D392	A384-Q388 PolarHBondContact O-N 3.28Å; T385-Q388 PolarHBondContact O-N 3.2Å; Q388-C390 VanDerWaalsContact C-N 3.28Å; Q388-C390 PolarHBondContact O-N 2.81Å; Q388-L391 WeakPolarHBondContact O-CB 3.24Å; Q388-L391 PolarHBondContact O-N 3.17Å; Q388-D392 PolarHBondContact NE2-OD1 3.3Å; Q388-D392 VanDerWaalsContact O-CG 3.22Å; Q388-D392 PolarHBondContact O-N 2.92Å
389	H	89.9	Confident	86.9	Confident	48 Å²	48	50.8 Å²	50.8	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-33.1	175.9	-75.3	-38	0	0	0	113.5	L228 T385 R386 D392 M393	L228-H389 HydrophobicContact CD1-CB 4.19Å; L228-H389 HydrophobicContact CD2-CB 3.77Å; T385-H389 PolarHBondContact O-CD2 3.36Å; T385-H389 VanDerWaalsContact O-CD2 3.32Å; T385-H389 PolarHBondContact O-N 3.08Å; R386-H389 PolarHBondContact O-N 3.37Å; H389-D392 IonicContact ND1-OD2 2.84Å; H389-D392 PolarHBondContact ND1-OD2 3.15Å; H389-D392 PolarHBondContact O-N 3.32Å; H389-M393 WeakPolarHBondContact O-CB 3.32Å; H389-M393 WeakPolarHBondContact O-CG 3.38Å; H389-M393 PolarHBondContact O-N 3.02Å
390	C	92	Very high	87.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-46.1	170.5	-72.6	0	0	0	0	111.2	L210 R386 L387 Q388 M393 M394 F416	L210-C390 HydrophobicContact CD1-CB 4.01Å; R386-C390 PolarHBondContact O-N 2.8Å; R386-C390 PolarHBondContact O-SG 3.18Å; L387-C390 WeakPolarHBondContact O-CB 3.27Å; L387-C390 PolarHBondContact O-N 2.93Å; Q388-C390 VanDerWaalsContact C-N 3.28Å; Q388-C390 PolarHBondContact O-N 2.81Å; C390-M393 PolarHBondContact O-N 3.05Å; C390-M394 WeakPolarHBondContact O-CB 3.32Å; C390-M394 VanDerWaalsContact O-CG 3.29Å; C390-M394 WeakPolarHBondContact O-CG 3.47Å; C390-M394 PolarHBondContact O-N 3.17Å; C390-F416 HydrophobicContact CB-CZ 4Å
391	L	91.6	Very high	87.6	Confident	46 Å²	46	49 Å²	49	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-43.4	177.3	-65.6	175	0	0	0	112.2	L387 Q388 M393 M394 Q395 F416	L387-L391 PolarHBondContact O-N 2.88Å; L387-L391 VanDerWaalsContact O-N 3.11Å; Q388-L391 WeakPolarHBondContact O-CB 3.24Å; Q388-L391 PolarHBondContact O-N 3.17Å; L391-M393 VanDerWaalsContact C-N 3.3Å; L391-M393 PolarHBondContact O-N 3.27Å; L391-M394 HydrophobicContact CD2-SD 4.47Å; L391-M394 PolarHBondContact O-N 2.77Å; L391-Q395 PolarHBondContact O-N 3.38Å; L391-F416 HydrophobicContact CD1-CD2 4.24Å; L391-F416 HydrophobicContact CD1-CE2 3.67Å; L391-F416 HydrophobicContact CD1-CZ 4.43Å; L391-F416 HydrophobicContact CD2-CD2 4.4Å; L391-F416 HydrophobicContact CD2-CE1 4.46Å; L391-F416 HydrophobicContact CD2-CE2 3.76Å; L391-F416 HydrophobicContact CD2-CZ 3.79Å; L391-F416 HydrophobicContact CG-CD2 4.38Å; L391-F416 HydrophobicContact CG-CE2 3.48Å; L391-F416 VanDerWaalsContact CG-CE2 3.48Å; L391-F416 HydrophobicContact CG-CZ 3.74Å
392	D	91	Very high	88.1	Confident	57 Å²	57	47.1 Å²	47.1	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-44.3	176.9	-58.4	-19.6	0	0	0	110.8	Q388 H389 Q395 K396	Q388-D392 PolarHBondContact NE2-OD1 3.3Å; Q388-D392 VanDerWaalsContact O-CG 3.22Å; Q388-D392 PolarHBondContact O-N 2.92Å; H389-D392 IonicContact ND1-OD2 2.84Å; H389-D392 PolarHBondContact ND1-OD2 3.15Å; H389-D392 PolarHBondContact O-N 3.32Å; D392-Q395 PolarHBondContact O-N 2.89Å; D392-K396 WeakPolarHBondContact O-CB 3.4Å; D392-K396 PolarHBondContact O-N 3.41Å
393	M	90.5	Very high	88.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-40.7	177	-71.2	-75.4	-76.9	0	0	111.2	E193 R208 L210 L228 H389 C390 L391 Q395 K396 F397	E193-M393 HydrophobicContact CB-CE 4.48Å; R208-M393 HydrophobicContact CG-CE 4.37Å; L210-M393 HydrophobicContact CB-CB 4.37Å; L210-M393 HydrophobicContact CB-CE 4.43Å; L210-M393 HydrophobicContact CD1-CB 4.2Å; L210-M393 HydrophobicContact CD2-CB 4.41Å; L228-M393 HydrophobicContact CD1-CG 4.44Å; H389-M393 WeakPolarHBondContact O-CB 3.32Å; H389-M393 WeakPolarHBondContact O-CG 3.38Å; H389-M393 PolarHBondContact O-N 3.02Å; C390-M393 PolarHBondContact O-N 3.05Å; L391-M393 VanDerWaalsContact C-N 3.3Å; L391-M393 PolarHBondContact O-N 3.27Å; M393-Q395 VanDerWaalsContact C-N 3.31Å; M393-Q395 PolarHBondContact O-N 3.21Å; M393-K396 PolarHBondContact O-N 3.37Å; M393-F397 HydrophobicContact CE-CE1 3.99Å; M393-F397 HydrophobicContact CE-CE2 4.02Å; M393-F397 HydrophobicContact CE-CZ 3.36Å; M393-F397 VanDerWaalsContact O-CB 3.32Å; M393-F397 WeakPolarHBondContact O-CB 3.45Å; M393-F397 WeakPolarHBondContact O-CG 3.43Å; M393-F397 PolarHBondContact O-N 3.48Å; M393-F397 HydrophobicContact SD-CE1 4.49Å; M393-F397 HydrophobicContact SD-CZ 4.37Å
394	M	91.4	Very high	89.3	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-39.8	175.6	-75.7	-179.6	72.8	0	0	112.3	V40 L210 V226 C390 L391 E398 Y399 L412	V40-M394 HydrophobicContact CG1-CE 4.36Å; V40-M394 HydrophobicContact CG1-SD 4.35Å; V40-M394 HydrophobicContact CG2-CE 4.15Å; L210-M394 HydrophobicContact CD2-CG 3.66Å; V226-M394 HydrophobicContact CB-SD 4.41Å; V226-M394 HydrophobicContact CG1-SD 4.17Å; V226-M394 HydrophobicContact CG2-SD 4Å; C390-M394 WeakPolarHBondContact O-CB 3.32Å; C390-M394 VanDerWaalsContact O-CG 3.29Å; C390-M394 WeakPolarHBondContact O-CG 3.47Å; C390-M394 PolarHBondContact O-N 3.17Å; L391-M394 HydrophobicContact CD2-SD 4.47Å; L391-M394 PolarHBondContact O-N 2.77Å; M394-E398 PolarHBondContact O-N 2.85Å; M394-Y399 HydrophobicContact CB-CD2 4.03Å; M394-Y399 HydrophobicContact CG-CD2 4.03Å; M394-Y399 HydrophobicContact CG-CE2 4.39Å; M394-Y399 PolarHBondContact O-N 3.2Å; M394-L412 HydrophobicContact CE-CB 4.17Å; M394-L412 HydrophobicContact CE-CD1 3.98Å
395	Q	90.4	Very high	90	Very high	147 Å²	147	48.5 Å²	48.5	69%	0.687	23%	0.233	S	C	*	.	H	α-helix	trans	-65.2	-46.5	174.6	-175.4	-178.1	13.3	0	0	111	L391 D392 M393 F397 E398	L391-Q395 PolarHBondContact O-N 3.38Å; D392-Q395 PolarHBondContact O-N 2.89Å; M393-Q395 VanDerWaalsContact C-N 3.31Å; M393-Q395 PolarHBondContact O-N 3.21Å; Q395-F397 VanDerWaalsContact C-N 3.27Å; Q395-F397 PolarHBondContact O-N 2.98Å; Q395-E398 WeakPolarHBondContact O-CA 3.48Å; Q395-E398 PolarHBondContact O-N 3.32Å
396	K	86.5	Confident	90.5	Very high	95 Å²	95	50.8 Å²	50.8	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-33.5	177.8	-170.9	169.7	-173.8	168.1	0	112.9	E193 D392 M393 E398	E193-K396 WeakPolarHBondContact OE1-CE 3.42Å; E193-K396 IonicContact OE1-NZ 3.15Å; E193-K396 PolarHBondContact OE1-NZ 3.23Å; E193-K396 IonicContact OE2-NZ 2.93Å; E193-K396 PolarHBondContact OE2-NZ 2.93Å; D392-K396 WeakPolarHBondContact O-CB 3.4Å; D392-K396 PolarHBondContact O-N 3.41Å; M393-K396 PolarHBondContact O-N 3.37Å; K396-E398 PolarHBondContact O-N 2.86Å
397	F	86.2	Confident	90.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.1	173.9	-64.6	-5.2	0	0	0	112.8	R173 F184 I191 L210 M393 Q395 Y399	R173-F397 PolarHBondContact NH1-O 3.47Å; F184-F397 HydrophobicContact CD1-CD1 4.18Å; F184-F397 AromaticContact CD1-CE1 3.57Å; F184-F397 HydrophobicContact CD1-CE1 3.57Å; F184-F397 HydrophobicContact CD1-CZ 4.2Å; F184-F397 AromaticContact CE1-CD1 3.61Å; F184-F397 HydrophobicContact CE1-CD1 3.61Å; F184-F397 AromaticContact CE1-CE1 3.22Å; F184-F397 HydrophobicContact CE1-CE1 3.22Å; F184-F397 HydrophobicContact CE1-CZ 4.25Å; F184-F397 AromaticContact CZ-CD1 3.78Å; F184-F397 HydrophobicContact CZ-CD1 3.78Å; F184-F397 AromaticContact CZ-CE1 3.9Å; F184-F397 HydrophobicContact CZ-CE1 3.9Å; I191-F397 HydrophobicContact CB-CD2 4.33Å; I191-F397 HydrophobicContact CB-CE2 3.64Å; I191-F397 HydrophobicContact CB-CZ 4.11Å; I191-F397 HydrophobicContact CD1-CD2 4.31Å; I191-F397 HydrophobicContact CD1-CE2 4.43Å; I191-F397 HydrophobicContact CG2-CD2 4.16Å; I191-F397 HydrophobicContact CG2-CE1 4.31Å; I191-F397 HydrophobicContact CG2-CE2 3.55Å; I191-F397 HydrophobicContact CG2-CZ 3.63Å; I191-F397 WeakPolarHBondContact O-CZ 3.37Å; L210-F397 HydrophobicContact CB-CD2 4.19Å; L210-F397 HydrophobicContact CB-CE2 3.56Å; L210-F397 HydrophobicContact CB-CZ 4.46Å; L210-F397 HydrophobicContact CD2-CD2 4.02Å; L210-F397 HydrophobicContact CD2-CE2 4.24Å; M393-F397 HydrophobicContact CE-CE1 3.99Å; M393-F397 HydrophobicContact CE-CE2 4.02Å; M393-F397 HydrophobicContact CE-CZ 3.36Å; M393-F397 VanDerWaalsContact O-CB 3.32Å; M393-F397 WeakPolarHBondContact O-CB 3.45Å; M393-F397 WeakPolarHBondContact O-CG 3.43Å; M393-F397 PolarHBondContact O-N 3.48Å; M393-F397 HydrophobicContact SD-CE1 4.49Å; M393-F397 HydrophobicContact SD-CZ 4.37Å; Q395-F397 VanDerWaalsContact C-N 3.27Å; Q395-F397 PolarHBondContact O-N 2.98Å; F397-Y399 VanDerWaalsContact C-N 3.27Å; F397-Y399 HydrophobicContact CB-CD2 3.99Å; F397-Y399 HydrophobicContact CB-CE2 3.9Å; F397-Y399 HydrophobicContact CD2-CE2 4.06Å; F397-Y399 PolarHBondContact O-N 3.47Å
398	E	87.7	Confident	91.1	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.8	175.9	-71.3	171.3	-155.3	0	0	113.8	K180 M394 Q395 K396 Q400 N401 D402	K180-E398 IonicContact NZ-OE1 3.26Å; K180-E398 PolarHBondContact NZ-OE1 2.89Å; K180-E398 IonicContact NZ-OE2 3.65Å; K180-E398 PolarHBondContact NZ-OE2 3.45Å; M394-E398 PolarHBondContact O-N 2.85Å; Q395-E398 WeakPolarHBondContact O-CA 3.48Å; Q395-E398 PolarHBondContact O-N 3.32Å; K396-E398 PolarHBondContact O-N 2.86Å; E398-Q400 PolarHBondContact O-N 2.91Å; E398-N401 CarbonylContact O-C 3.54Å; E398-N401 WeakPolarHBondContact O-CA 3.35Å; E398-N401 PolarHBondContact O-N 2.84Å; E398-D402 PolarHBondContact O-N 3.47Å
399	Y	89.9	Confident	91.4	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.016	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.8	-30.8	178.7	-83.6	-69.6	0	0	0	113.4	I191 L210 T212 M394 F397 N401 L405 L412	I191-Y399 WeakPolarHBondContact CD1-OH 3.37Å; L210-Y399 HydrophobicContact CD2-CE2 3.91Å; T212-Y399 WeakPolarHBondContact CG2-OH 3.36Å; M394-Y399 HydrophobicContact CB-CD2 4.03Å; M394-Y399 HydrophobicContact CG-CD2 4.03Å; M394-Y399 HydrophobicContact CG-CE2 4.39Å; M394-Y399 PolarHBondContact O-N 3.2Å; F397-Y399 VanDerWaalsContact C-N 3.27Å; F397-Y399 HydrophobicContact CB-CD2 3.99Å; F397-Y399 HydrophobicContact CB-CE2 3.9Å; F397-Y399 HydrophobicContact CD2-CE2 4.06Å; F397-Y399 PolarHBondContact O-N 3.47Å; Y399-N401 VanDerWaalsContact C-N 3.28Å; Y399-N401 PolarHBondContact O-N 3.43Å; Y399-L405 HydrophobicContact CD1-CD1 3.9Å; Y399-L412 HydrophobicContact CD1-CD1 3.55Å; Y399-L412 HydrophobicContact CD2-CD1 4.48Å; Y399-L412 HydrophobicContact CE1-CD1 3.99Å; Y399-L412 HydrophobicContact CG-CD1 3.82Å
400	Q	89	Confident	91.6	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.7	-24.9	175.9	-63.7	-58.8	-34.5	0	0	113.5	E398 K406 L412	E398-Q400 PolarHBondContact O-N 2.91Å; Q400-K406 WeakPolarHBondContact O-CE 3.4Å; Q400-K406 PolarHBondContact O-NZ 3.24Å; Q400-L412 PolarHBondContact NE2-O 3.24Å
401	N	88.4	Confident	91.7	Very high	106 Å²	106	45.3 Å²	45.3	57%	0.567	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-115.6	13.7	-178.4	-69.7	-38.4	0	0	0	113.3	E398 Y399 K403 K406	E398-N401 CarbonylContact O-C 3.54Å; E398-N401 WeakPolarHBondContact O-CA 3.35Å; E398-N401 PolarHBondContact O-N 2.84Å; Y399-N401 VanDerWaalsContact C-N 3.28Å; Y399-N401 PolarHBondContact O-N 3.43Å; N401-K403 PolarHBondContact O-N 3.32Å; N401-K406 PolarHBondContact OD1-NZ 3.17Å
402	D	91.4	Very high	91.8	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.048	21%	0.211	C	C	.	.			trans	-64.9	116.4	-179.3	-170.4	-34.4	0	0	0	110.9	R173 E398 F404 L405 K406	R173-D402 IonicContact CZ-OD2 2.64Å; R173-D402 IonicContact NH1-OD2 2.71Å; R173-D402 PolarHBondContact NH1-OD2 3.26Å; R173-D402 IonicContact NH2-OD2 2.74Å; R173-D402 PolarHBondContact NH2-OD2 2.99Å; E398-D402 PolarHBondContact O-N 3.47Å; D402-F404 VanDerWaalsContact C-N 3.32Å; D402-F404 PolarHBondContact O-N 3.28Å; D402-F404 WeakPolarHBondContact OD1-CA 3.35Å; D402-F404 WeakPolarHBondContact OD1-CB 3.49Å; D402-F404 PolarHBondContact OD1-N 2.93Å; D402-L405 HydrophobicContact CB-CB 4.04Å; D402-L405 HydrophobicContact CB-CD1 3.97Å; D402-L405 HydrophobicContact CB-CG 3.8Å; D402-L405 PolarHBondContact O-N 2.92Å; D402-L405 PolarHBondContact OD1-N 3.48Å; D402-K406 WeakPolarHBondContact O-CG 3.24Å; D402-K406 PolarHBondContact O-N 3.06Å; D402-K406 VanDerWaalsContact O-N 3.1Å
403	K	92.8	Very high	91.8	Very high	126 Å²	126	41 Å²	41	55%	0.548	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-37.2	-179.5	-66.2	-176.6	179.1	-177.3	0	112	F90 N401 K406 S407	F90-K403 HydrophobicContact CB-CB 4.24Å; F90-K403 HydrophobicContact CD1-CB 3.65Å; F90-K403 HydrophobicContact CD1-CD 4Å; F90-K403 HydrophobicContact CD1-CG 4.48Å; F90-K403 HydrophobicContact CD2-CD 4.33Å; F90-K403 HydrophobicContact CE1-CB 4.18Å; F90-K403 HydrophobicContact CE1-CD 3.72Å; F90-K403 HydrophobicContact CE2-CD 4.07Å; F90-K403 HydrophobicContact CG-CB 3.93Å; F90-K403 HydrophobicContact CG-CD 4.3Å; F90-K403 HydrophobicContact CZ-CD 3.76Å; N401-K403 PolarHBondContact O-N 3.32Å; K403-K406 PolarHBondContact O-N 2.83Å; K403-S407 VanDerWaalsContact O-CB 3.28Å; K403-S407 WeakPolarHBondContact O-CB 3.34Å; K403-S407 PolarHBondContact O-N 3.08Å; K403-S407 PolarHBondContact O-OG 3.12Å; K403-S407 VanDerWaalsContact O-OG 3.11Å
404	F	94.5	Very high	91.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-46.9	179.3	-66.8	-88.1	0	0	0	110.8	W76 F90 L92 Q171 G172 C175 T178 D402 K406 S407 F408	W76-F404 AromaticContact CH2-CE1 3.99Å; W76-F404 HydrophobicContact CH2-CE1 3.99Å; W76-F404 HydrophobicContact CH2-CZ 4.29Å; F90-F404 HydrophobicContact CD1-CD2 4.18Å; F90-F404 HydrophobicContact CD1-CE1 4.17Å; F90-F404 AromaticContact CD1-CE2 3.71Å; F90-F404 HydrophobicContact CD1-CE2 3.71Å; F90-F404 AromaticContact CD1-CZ 3.69Å; F90-F404 HydrophobicContact CD1-CZ 3.69Å; F90-F404 HydrophobicContact CE1-CE2 4.14Å; F90-F404 HydrophobicContact CE1-CZ 4.22Å; F90-F404 WeakPolarHBondContact O-CA 3.42Å; F90-F404 WeakPolarHBondContact O-CD1 3.37Å; L92-F404 WeakPolarHBondContact O-CD1 3.34Å; L92-F404 VanDerWaalsContact O-CE1 3.23Å; L92-F404 WeakPolarHBondContact O-CE1 3.39Å; Q171-F404 HydrophobicContact CB-CB 4.24Å; Q171-F404 HydrophobicContact CB-CD1 3.96Å; Q171-F404 HydrophobicContact CB-CD2 4.33Å; Q171-F404 HydrophobicContact CB-CE1 4.42Å; Q171-F404 HydrophobicContact CB-CG 3.91Å; Q171-F404 HydrophobicContact CG-CD1 3.39Å; Q171-F404 HydrophobicContact CG-CD2 4.2Å; Q171-F404 HydrophobicContact CG-CE1 3.43Å; Q171-F404 VanDerWaalsContact CG-CE1 3.43Å; Q171-F404 HydrophobicContact CG-CE2 4.22Å; Q171-F404 HydrophobicContact CG-CG 3.81Å; Q171-F404 HydrophobicContact CG-CZ 3.87Å; G172-F404 VanDerWaalsContact CA-CD2 3.48Å; C175-F404 HydrophobicContact CB-CE1 4.5Å; C175-F404 HydrophobicContact CB-CE2 3.82Å; C175-F404 HydrophobicContact CB-CZ 3.51Å; T178-F404 HydrophobicContact CG2-CE2 3.83Å; D402-F404 VanDerWaalsContact C-N 3.32Å; D402-F404 PolarHBondContact O-N 3.28Å; D402-F404 WeakPolarHBondContact OD1-CA 3.35Å; D402-F404 WeakPolarHBondContact OD1-CB 3.49Å; D402-F404 PolarHBondContact OD1-N 2.93Å; F404-K406 VanDerWaalsContact C-N 3.32Å; F404-K406 PolarHBondContact O-N 3.2Å; F404-S407 PolarHBondContact O-N 3.49Å; F404-F408 WeakPolarHBondContact O-CD2 3.35Å; F404-F408 PolarHBondContact O-N 2.61Å
405	L	95.1	Very high	91.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-47.7	176.8	-62.9	-170.8	0	0	0	111.2	I168 L169 Y399 D402 S407 F408 G409 I410 L412	I168-L405 HydrophobicContact CG2-CD2 3.85Å; L169-L405 HydrophobicContact CD2-CD1 4.45Å; L169-L405 HydrophobicContact CD2-CD2 4.03Å; Y399-L405 HydrophobicContact CD1-CD1 3.9Å; D402-L405 HydrophobicContact CB-CB 4.04Å; D402-L405 HydrophobicContact CB-CD1 3.97Å; D402-L405 HydrophobicContact CB-CG 3.8Å; D402-L405 PolarHBondContact O-N 2.92Å; D402-L405 PolarHBondContact OD1-N 3.48Å; L405-S407 PolarHBondContact O-N 3.18Å; L405-F408 CarbonylContact O-C 3.12Å; L405-F408 PolarHBondContact O-N 3.39Å; L405-G409 PolarHBondContact O-N 3.47Å; L405-G409 VanDerWaalsContact O-N 3.14Å; L405-I410 CarbonylContact C-O 3.51Å; L405-I410 HydrophobicContact CB-CG1 4.15Å; L405-I410 WeakPolarHBondContact CB-O 3.4Å; L405-I410 HydrophobicContact CD2-CD1 3.87Å; L405-I410 HydrophobicContact CD2-CG1 4Å; L405-I410 WeakPolarHBondContact O-CG1 3.28Å; L405-I410 PolarHBondContact O-N 3.26Å; L405-L412 HydrophobicContact CD1-CG 4.3Å
406	K	95.1	Very high	91.8	Very high	102 Å²	102	44 Å²	44	44%	0.443	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-44.8	178	-71.4	178.5	-177.4	-180	0	112.4	I45 Q400 N401 D402 K403 F404 F408 G409	I45-K406 HydrophobicContact CD1-CG 4.3Å; Q400-K406 WeakPolarHBondContact O-CE 3.4Å; Q400-K406 PolarHBondContact O-NZ 3.24Å; N401-K406 PolarHBondContact OD1-NZ 3.17Å; D402-K406 WeakPolarHBondContact O-CG 3.24Å; D402-K406 PolarHBondContact O-N 3.06Å; D402-K406 VanDerWaalsContact O-N 3.1Å; K403-K406 PolarHBondContact O-N 2.83Å; F404-K406 VanDerWaalsContact C-N 3.32Å; F404-K406 PolarHBondContact O-N 3.2Å; K406-F408 VanDerWaalsContact C-N 3.29Å; K406-F408 PolarHBondContact O-N 3.02Å; K406-G409 WeakPolarHBondContact O-CA 3.21Å; K406-G409 PolarHBondContact O-N 2.95Å
407	S	95.2	Very high	92	Very high	33 Å²	33	40 Å²	40	23%	0.231	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-34.7	177	-75.8	0	0	0	0	112.6	F90 N103 K403 F404 L405 G409	F90-S407 VanDerWaalsContact O-CB 3.27Å; F90-S407 WeakPolarHBondContact O-CB 3.49Å; N103-S407 PolarHBondContact ND2-O 3.26Å; K403-S407 VanDerWaalsContact O-CB 3.28Å; K403-S407 WeakPolarHBondContact O-CB 3.34Å; K403-S407 PolarHBondContact O-N 3.08Å; K403-S407 PolarHBondContact O-OG 3.12Å; K403-S407 VanDerWaalsContact O-OG 3.11Å; F404-S407 PolarHBondContact O-N 3.49Å; L405-S407 PolarHBondContact O-N 3.18Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.35Å
408	F	95.6	Very high	92.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.7	172.4	-82	-92.9	0	0	0	114	I52 S91 A93 L101 N103 I168 F404 L405 K406 I410	I52-F408 HydrophobicContact CD1-CD1 4.22Å; I52-F408 HydrophobicContact CD1-CE1 4.32Å; I52-F408 HydrophobicContact CG1-CD1 4.26Å; I52-F408 HydrophobicContact CG1-CE1 4.23Å; I52-F408 HydrophobicContact CG2-CE1 4.45Å; S91-F408 VanDerWaalsContact C-CE2 3.49Å; S91-F408 WeakPolarHBondContact O-CE2 3.28Å; S91-F408 VanDerWaalsContact O-CZ 3.25Å; S91-F408 WeakPolarHBondContact O-CZ 3.47Å; A93-F408 HydrophobicContact CB-CE2 4.12Å; A93-F408 HydrophobicContact CB-CZ 4.11Å; L101-F408 HydrophobicContact CB-CE1 4.42Å; L101-F408 HydrophobicContact CB-CZ 4.34Å; N103-F408 HydrophobicContact CB-CD1 4.14Å; N103-F408 HydrophobicContact CB-CE1 4.16Å; I168-F408 HydrophobicContact CD1-CD1 3.6Å; I168-F408 HydrophobicContact CD1-CE1 3.81Å; I168-F408 HydrophobicContact CD1-CG 4.01Å; I168-F408 HydrophobicContact CD1-CZ 4.39Å; I168-F408 HydrophobicContact CG1-CD1 4.19Å; I168-F408 HydrophobicContact CG1-CD2 4.38Å; I168-F408 HydrophobicContact CG1-CE1 4.15Å; I168-F408 HydrophobicContact CG1-CE2 4.34Å; I168-F408 HydrophobicContact CG1-CG 4.3Å; I168-F408 HydrophobicContact CG1-CZ 4.23Å; I168-F408 HydrophobicContact CG2-CB 4.21Å; I168-F408 HydrophobicContact CG2-CD2 4.03Å; I168-F408 HydrophobicContact CG2-CG 4.08Å; F404-F408 WeakPolarHBondContact O-CD2 3.35Å; F404-F408 PolarHBondContact O-N 2.61Å; L405-F408 CarbonylContact O-C 3.12Å; L405-F408 PolarHBondContact O-N 3.39Å; K406-F408 VanDerWaalsContact C-N 3.29Å; K406-F408 PolarHBondContact O-N 3.02Å; F408-I410 HydrophobicContact CB-CG1 4.3Å
409	G	94.9	Very high	92.5	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	23.6	177.3	0	0	0	0	0	114.7	I45 L405 K406 S407	I45-G409 VanDerWaalsContact CG1-O 3.26Å; I45-G409 WeakPolarHBondContact CG1-O 3.19Å; I45-G409 PolarHBondContact N-O 3.06Å; L405-G409 PolarHBondContact O-N 3.47Å; L405-G409 VanDerWaalsContact O-N 3.14Å; K406-G409 WeakPolarHBondContact O-CA 3.21Å; K406-G409 PolarHBondContact O-N 2.95Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.35Å
410	I	94.5	Very high	92.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.8	-179	62.8	178.9	0	0	0	111.9	L42 K43 I50 F145 L165 I168 L405 F408	L42-I410 HydrophobicContact CD1-CB 4.41Å; L42-I410 HydrophobicContact CD1-CD1 4.34Å; K43-I410 CarbonylContact O-C 3.4Å; K43-I410 VanDerWaalsContact O-CA 3.3Å; K43-I410 WeakPolarHBondContact O-CA 3.15Å; I50-I410 HydrophobicContact CD1-CG2 3.66Å; F145-I410 HydrophobicContact CE1-CG2 4.31Å; F145-I410 HydrophobicContact CE2-CG2 4.17Å; F145-I410 HydrophobicContact CZ-CG2 3.54Å; L165-I410 HydrophobicContact CD2-CD1 4.12Å; I168-I410 HydrophobicContact CG2-CD1 3.77Å; L405-I410 CarbonylContact C-O 3.51Å; L405-I410 HydrophobicContact CB-CG1 4.15Å; L405-I410 WeakPolarHBondContact CB-O 3.4Å; L405-I410 HydrophobicContact CD2-CD1 3.87Å; L405-I410 HydrophobicContact CD2-CG1 4Å; L405-I410 WeakPolarHBondContact O-CG1 3.28Å; L405-I410 PolarHBondContact O-N 3.26Å; F408-I410 HydrophobicContact CB-CG1 4.3Å
411	A	94.3	Very high	92.8	Very high	22 Å²	22	45.1 Å²	45.1	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.7	174.2	0	0	0	0	0	111	K43 I45	K43-A411 PolarHBondContact N-O 2.86Å; K43-A411 PolarHBondContact O-N 3.34Å; I45-A411 HydrophobicContact CD1-CB 4.43Å; I45-A411 HydrophobicContact CG2-CB 3.62Å
412	L	93.2	Very high	93.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138	172.7	-65.5	179.5	0	0	0	111.2	V40 L42 L169 V224 M394 Y399 Q400 L405	V40-L412 HydrophobicContact CG2-CD2 4.21Å; L42-L412 HydrophobicContact CD1-CD2 3.55Å; L169-L412 HydrophobicContact CD2-CD1 3.98Å; L169-L412 HydrophobicContact CD2-CD2 3.99Å; L169-L412 HydrophobicContact CD2-CG 4.21Å; V224-L412 HydrophobicContact CB-CD2 4.06Å; V224-L412 HydrophobicContact CG2-CD2 3.54Å; M394-L412 HydrophobicContact CE-CB 4.17Å; M394-L412 HydrophobicContact CE-CD1 3.98Å; Y399-L412 HydrophobicContact CD1-CD1 3.55Å; Y399-L412 HydrophobicContact CD2-CD1 4.48Å; Y399-L412 HydrophobicContact CE1-CD1 3.99Å; Y399-L412 HydrophobicContact CG-CD1 3.82Å; Q400-L412 PolarHBondContact NE2-O 3.24Å; L405-L412 HydrophobicContact CD1-CG 4.3Å
413	S	92.1	Very high	93.5	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.063	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	141.1	167.1	-175.2	0	0	0	0	111	E41 H415	E41-S413 PolarHBondContact O-N 3.27Å; S413-H415 PolarHBondContact OG-N 2.8Å; S413-H415 VanDerWaalsContact OG-N 3.1Å; S413-H415 PolarHBondContact OG-O 3.33Å
414	S	87.2	Confident	93.7	Very high	60 Å²	60	36.2 Å²	36.2	42%	0.42	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	2.1	168.7	55.1	0	0	0	0	113.3
415	H	90.9	Very high	93.7	Very high	136 Å²	136	43.7 Å²	43.7	63%	0.63	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.2	-179.5	-56.7	87.6	0	0	0	110.2	S413	S413-H415 PolarHBondContact OG-N 2.8Å; S413-H415 VanDerWaalsContact OG-N 3.1Å; S413-H415 PolarHBondContact OG-O 3.33Å
416	F	93	Very high	93.8	Very high	25 Å²	25	44.8 Å²	44.8	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	146.8	172.8	-70.6	-57.8	0	0	0	112.6	V36 T37 F39 V40 V226 L387 C390 L391 Q418	V36-F416 HydrophobicContact CG1-CB 3.46Å; V36-F416 VanDerWaalsContact CG1-CB 3.46Å; V36-F416 HydrophobicContact CG1-CG 4.31Å; T37-F416 WeakPolarHBondContact O-CB 3.18Å; T37-F416 WeakPolarHBondContact O-CD1 3.45Å; T37-F416 VanDerWaalsContact O-CG 3.29Å; T37-F416 WeakPolarHBondContact O-CG 3.4Å; F39-F416 CarbonylContact O-C 3.52Å; F39-F416 WeakPolarHBondContact O-CA 3.39Å; V40-F416 HydrophobicContact CG1-CD1 3.84Å; V40-F416 HydrophobicContact CG1-CE1 4.04Å; V226-F416 HydrophobicContact CG2-CE1 3.64Å; V226-F416 HydrophobicContact CG2-CZ 4.46Å; L387-F416 HydrophobicContact CB-CD2 4.29Å; L387-F416 HydrophobicContact CB-CE2 3.65Å; L387-F416 HydrophobicContact CB-CZ 4.15Å; L387-F416 HydrophobicContact CD1-CD2 4.47Å; L387-F416 HydrophobicContact CD2-CD1 4.33Å; L387-F416 HydrophobicContact CD2-CD2 4.2Å; L387-F416 HydrophobicContact CD2-CE1 4.01Å; L387-F416 HydrophobicContact CD2-CE2 3.87Å; L387-F416 HydrophobicContact CD2-CG 4.43Å; L387-F416 HydrophobicContact CD2-CZ 3.78Å; L387-F416 HydrophobicContact CG-CE2 4.23Å; L387-F416 WeakPolarHBondContact O-CE2 3.21Å; L387-F416 WeakPolarHBondContact O-CZ 3.4Å; C390-F416 HydrophobicContact CB-CZ 4Å; L391-F416 HydrophobicContact CD1-CD2 4.24Å; L391-F416 HydrophobicContact CD1-CE2 3.67Å; L391-F416 HydrophobicContact CD1-CZ 4.43Å; L391-F416 HydrophobicContact CD2-CD2 4.4Å; L391-F416 HydrophobicContact CD2-CE1 4.46Å; L391-F416 HydrophobicContact CD2-CE2 3.76Å; L391-F416 HydrophobicContact CD2-CZ 3.79Å; L391-F416 HydrophobicContact CG-CD2 4.38Å; L391-F416 HydrophobicContact CG-CE2 3.48Å; L391-F416 VanDerWaalsContact CG-CE2 3.48Å; L391-F416 HydrophobicContact CG-CZ 3.74Å; F416-Q418 PolarHBondContact O-N 2.79Å
417	V	91.9	Very high	93.9	Very high	10 Å²	10	40 Å²	40	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.1	177.7	177	0	0	0	0	109.5	T37 F39 L223 I762	T37-V417 PolarHBondContact N-O 3.05Å; T37-V417 PolarHBondContact OG1-O 3.4Å; F39-V417 HydrophobicContact CB-CB 4.33Å; F39-V417 HydrophobicContact CB-CG2 4.21Å; F39-V417 WeakPolarHBondContact O-CG2 3.19Å; F39-V417 PolarHBondContact O-N 3.17Å; L223-V417 HydrophobicContact CD1-CG2 4.35Å; L223-V417 HydrophobicContact CD2-CG2 3.9Å; V417-I762 HydrophobicContact CB-CD1 4.32Å; V417-I762 HydrophobicContact CG1-CD1 3.8Å
418	Q	91.6	Very high	93.9	Very high	98 Å²	98	39.3 Å²	39.3	46%	0.458	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.7	169.8	-63.6	-179.2	-2.4	0	0	109.3	L35 V36 F416 N737 R761	L35-Q418 CarbonylContact O-C 3.54Å; L35-Q418 VanDerWaalsContact O-CA 3.29Å; L35-Q418 WeakPolarHBondContact O-CA 3.45Å; V36-Q418 HydrophobicContact CG2-CG 4.43Å; F416-Q418 PolarHBondContact O-N 2.79Å; Q418-N737 PolarHBondContact NE2-ND2 3.03Å; Q418-N737 PolarHBondContact OE1-ND2 3.01Å; Q418-R761 PolarHBondContact O-NE 2.85Å; Q418-R761 PolarHBondContact O-NH1 3.49Å
419	T	91.7	Very high	94	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	177.6	174.3	-164	0	0	0	0	110.2	L35 T37 F734 V758 I762	L35-T419 HydrophobicContact CB-CG2 4.01Å; L35-T419 PolarHBondContact N-O 3.48Å; L35-T419 PolarHBondContact O-N 2.7Å; T37-T419 HydrophobicContact CG2-CG2 3.68Å; T419-F734 HydrophobicContact CG2-CD1 4.23Å; T419-F734 HydrophobicContact CG2-CE1 4.05Å; T419-V758 HydrophobicContact CG2-CG1 4.24Å; T419-I762 HydrophobicContact CG2-CG1 4.27Å
420	R	92.1	Very high	94	Very high	188 Å²	188	41.1 Å²	41.1	71%	0.709	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.9	170.8	-65.8	179.1	178.8	170.3	-1.5	108.8	V32 I33	V32-R420 HydrophobicContact CG1-CB 4.34Å; V32-R420 HydrophobicContact CG1-CG 4.45Å; I33-R420 CarbonylContact O-C 3.6Å; I33-R420 WeakPolarHBondContact O-CA 3.19Å
421	G	94.6	Very high	94	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-177.8	165.3	0	0	0	0	0	110.3	V32 I33 V757	V32-G421 WeakPolarHBondContact CA-O 3.26Å; I33-G421 PolarHBondContact N-O 3.04Å; I33-G421 PolarHBondContact O-N 3.42Å; G421-V757 CarbonylContact C-O 3.46Å; G421-V757 WeakPolarHBondContact CA-O 3.31Å
422	R	96.1	Very high	93.9	Very high	14 Å²	14	43.6 Å²	43.6	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138	172	-67.5	175.2	-68	112.2	-1.4	109.3	G27 V29 D31 V32 T756 V757 D759 D799	G27-R422 VanDerWaalsContact CA-NH2 3.28Å; G27-R422 PolarHBondContact O-NE 2.8Å; V29-R422 WeakPolarHBondContact O-CD 3.43Å; V29-R422 PolarHBondContact O-NH1 3.46Å; D31-R422 CarbonylContact O-C 3.58Å; D31-R422 VanDerWaalsContact O-CA 3.29Å; D31-R422 WeakPolarHBondContact O-CA 3.48Å; V32-R422 HydrophobicContact CG2-CG 4.44Å; R422-T756 CarbonylContact O-C 3.56Å; R422-T756 VanDerWaalsContact O-CA 3.3Å; R422-T756 WeakPolarHBondContact O-CA 3.47Å; R422-V757 PolarHBondContact N-O 2.84Å; R422-V757 PolarHBondContact O-N 3.32Å; R422-D759 IonicContact CZ-OD2 2.86Å; R422-D759 IonicContact NH2-OD1 2.87Å; R422-D759 IonicContact NH2-OD2 3.05Å; R422-D759 PolarHBondContact NH2-OD2 3.38Å; R422-D799 IonicContact CZ-OD1 2.64Å; R422-D799 IonicContact NH1-OD1 2.72Å; R422-D799 PolarHBondContact NH1-OD1 3.15Å; R422-D799 IonicContact NH2-OD1 3.82Å
423	V	96.4	Very high	93.6	Very high	30 Å²	30	45.5 Å²	45.5	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.1	173.6	-173.5	0	0	0	0	108.1	G30 D31 I33 P753	G30-V423 CarbonylContact C-O 3.57Å; G30-V423 VanDerWaalsContact CA-O 3.3Å; G30-V423 WeakPolarHBondContact CA-O 3.24Å; D31-V423 PolarHBondContact N-O 2.77Å; D31-V423 PolarHBondContact O-N 2.65Å; I33-V423 HydrophobicContact CB-CG2 4.32Å; I33-V423 HydrophobicContact CD1-CG2 4.45Å; I33-V423 HydrophobicContact CG2-CG2 3.99Å; V423-P753 HydrophobicContact CG1-CB 4.07Å; V423-P753 HydrophobicContact CG2-CB 4Å; V423-P753 HydrophobicContact CG2-CG 4.23Å
424	L	97.3	Very high	93	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.3	143.9	174.6	-61.1	-175.2	0	0	0	110.6	V29 G755 V757 Q802 Y806	V29-L424 HydrophobicContact CG1-CD2 4.41Å; V29-L424 WeakPolarHBondContact O-CD2 3.39Å; L424-G755 PolarHBondContact N-O 3.32Å; L424-V757 HydrophobicContact CD1-CG2 3.64Å; L424-V757 HydrophobicContact CG-CG2 3.91Å; L424-Q802 HydrophobicContact CD1-CB 4.19Å; L424-Y806 HydrophobicContact CB-CD1 3.87Å; L424-Y806 HydrophobicContact CB-CE1 4.01Å; L424-Y806 HydrophobicContact CD1-CD1 4.3Å
425	Q	95.6	Very high	92.6	Very high	159 Å²	159	62.4 Å²	62.4	74%	0.743	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-64.7	135.5	172.9	-175.6	173.4	-12.6	0	0	110.2	Y806 Y807	Q425-Y806 WeakPolarHBondContact O-CE1 3.1Å; Q425-Y807 WeakPolarHBondContact O-CE1 3.25Å
426	A	96.3	Very high	92.5	Very high	23 Å²	23	62 Å²	62	19%	0.19	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-69.5	142.5	173.9	0	0	0	0	0	110.6	P442 Y810	A426-P442 HydrophobicContact CB-CB 4.4Å; A426-Y810 HydrophobicContact CB-CE1 4.43Å; A426-Y810 VanDerWaalsContact CB-OH 3.31Å; A426-Y810 WeakPolarHBondContact CB-OH 3.38Å
427	P	96.8	Very high	92.4	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.5	144.4	173.7	31.3	-35.1	0	0	0	110	P442 I595 Y807 Y810	P427-P442 WeakPolarHBondContact O-CD 3.33Å; P427-I595 HydrophobicContact CB-CG1 4.33Å; P427-I595 HydrophobicContact CB-CG2 3.93Å; P427-Y807 HydrophobicContact CB-CD1 3.93Å; P427-Y807 HydrophobicContact CB-CD2 4Å; P427-Y807 HydrophobicContact CB-CE1 4.06Å; P427-Y807 HydrophobicContact CB-CE2 4.1Å; P427-Y807 HydrophobicContact CB-CG 3.89Å; P427-Y807 HydrophobicContact CG-CD1 3.79Å; P427-Y807 HydrophobicContact CG-CE1 4.25Å; P427-Y807 HydrophobicContact CG-CG 3.94Å; P427-Y810 VanDerWaalsContact CD-CE2 3.45Å; P427-Y810 HydrophobicContact CG-CD1 4.45Å; P427-Y810 HydrophobicContact CG-CD2 3.57Å; P427-Y810 HydrophobicContact CG-CE2 3.94Å; P427-Y810 HydrophobicContact CG-CG 3.86Å
428	A	96.9	Very high	92.4	Very high	19 Å²	19	66.3 Å²	66.3	16%	0.157	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-74.6	146.5	165.7	0	0	0	0	0	109.7	V439 V440 A596	A428-V439 HydrophobicContact CB-CG1 3.64Å; A428-V440 WeakPolarHBondContact CA-O 3.43Å; A428-A596 HydrophobicContact CB-CB 3.99Å; A428-A596 PolarHBondContact O-N 3.25Å
429	L	96.4	Very high	92.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	-178.7	-59.8	178.7	0	0	0	110.1	Y431 V439 V440 P442 W447 H594 I595 Y810	L429-Y431 HydrophobicContact CB-CD2 4.4Å; L429-Y431 HydrophobicContact CB-CE2 4.04Å; L429-Y431 HydrophobicContact CD1-CE2 4.41Å; L429-V439 CarbonylContact O-C 3.49Å; L429-V439 WeakPolarHBondContact O-CA 3.32Å; L429-V440 PolarHBondContact N-O 2.93Å; L429-V440 PolarHBondContact O-N 2.81Å; L429-P442 HydrophobicContact CD1-CG 4.16Å; L429-P442 HydrophobicContact CG-CG 4.26Å; L429-W447 HydrophobicContact CD1-CD2 3.85Å; L429-W447 HydrophobicContact CD1-CE3 4.11Å; L429-W447 HydrophobicContact CD1-CG 4.5Å; L429-W447 HydrophobicContact CD1-CH2 3.85Å; L429-W447 HydrophobicContact CD1-CZ2 3.55Å; L429-W447 HydrophobicContact CD1-CZ3 4.11Å; L429-H594 WeakPolarHBondContact CA-O 3.27Å; L429-I595 HydrophobicContact CD2-CG1 4.34Å; L429-Y810 HydrophobicContact CD1-CD1 4.32Å
430	E	95	Very high	92.7	Very high	42 Å²	42	65 Å²	65	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.9	176.7	174.3	178.2	161	0	0	111.1	P437 F455 S593 H594 A596	E430-P437 HydrophobicContact CG-CB 4.31Å; E430-P437 WeakPolarHBondContact OE1-CB 3.48Å; E430-F455 HydrophobicContact CG-CD2 4.34Å; E430-F455 HydrophobicContact CG-CE2 4.32Å; E430-S593 WeakPolarHBondContact O-CA 3.46Å; E430-S593 WeakPolarHBondContact O-CB 3.31Å; E430-H594 WeakPolarHBondContact CB-NE2 3.45Å; E430-H594 WeakPolarHBondContact CG-NE2 3.28Å; E430-H594 PolarHBondContact N-O 2.58Å; E430-H594 PolarHBondContact O-N 2.82Å; E430-H594 IonicContact OE1-NE2 2.69Å; E430-H594 IonicContact OE2-NE2 3.3Å; E430-H594 PolarHBondContact OE2-NE2 2.83Å; E430-A596 HydrophobicContact CB-CB 4.07Å
431	Y	95.2	Very high	92.9	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-167.6	173.7	-75.8	-83.9	0	0	0	108.6	L429 V438 V440 W447 M449 N592 S593	L429-Y431 HydrophobicContact CB-CD2 4.4Å; L429-Y431 HydrophobicContact CB-CE2 4.04Å; L429-Y431 HydrophobicContact CD1-CE2 4.41Å; Y431-V438 PolarHBondContact N-O 2.77Å; Y431-V438 PolarHBondContact O-N 2.61Å; Y431-V440 HydrophobicContact CD2-CB 4.37Å; Y431-V440 HydrophobicContact CD2-CG2 3.78Å; Y431-V440 HydrophobicContact CE2-CG2 4.43Å; Y431-W447 AromaticContact CE2-CD1 3.94Å; Y431-W447 AromaticContact CE2-NE1 3.53Å; Y431-W447 AromaticContact CZ-NE1 3.55Å; Y431-W447 PolarHBondContact OH-NE1 2.94Å; Y431-M449 HydrophobicContact CD1-CE 3.27Å; Y431-M449 HydrophobicContact CD1-SD 3.65Å; Y431-M449 HydrophobicContact CD2-SD 3.99Å; Y431-M449 HydrophobicContact CE1-CE 3.28Å; Y431-M449 HydrophobicContact CE1-SD 3.32Å; Y431-M449 WeakPolarHBondContact CE1-SD 3.1Å; Y431-M449 HydrophobicContact CE2-SD 3.68Å; Y431-M449 HydrophobicContact CG-CE 3.96Å; Y431-M449 HydrophobicContact CG-SD 3.96Å; Y431-N592 WeakPolarHBondContact CD1-O 3.21Å; Y431-N592 WeakPolarHBondContact CE1-O 3.35Å; Y431-S593 PolarHBondContact OH-OG 2.77Å
432	R	92.4	Very high	92.9	Very high	72 Å²	72	62.9 Å²	62.9	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	160.3	168.2	-61.6	-163.5	-164.7	108.1	-13	111.9	L436 K452 C453 L454 F455	R432-L436 CarbonylContact C-O 3.5Å; R432-L436 VanDerWaalsContact CA-O 3.32Å; R432-L436 WeakPolarHBondContact CA-O 3.26Å; R432-K452 CarbonylContact O-C 3.56Å; R432-K452 WeakPolarHBondContact O-CA 3.36Å; R432-C453 HydrophobicContact CB-CB 4.24Å; R432-C453 PolarHBondContact N-O 2.89Å; R432-C453 PolarHBondContact O-N 3.31Å; R432-L454 PolarHBondContact NH1-O 2.78Å; R432-F455 PolarHBondContact NE-O 3.26Å; R432-F455 PolarHBondContact NH1-O 3.34Å; R432-F455 PolarHBondContact NH2-O 3.46Å
433	C	86.5	Confident	92.8	Very high	44 Å²	44	67.7 Å²	67.7	30%	0.297	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.8	153.1	170.2	0	0	0	0	106.4	R435 L436 V438	C433-R435 PolarHBondContact O-N 3.47Å; C433-L436 PolarHBondContact N-O 2.93Å; C433-L436 PolarHBondContact O-N 3.48Å; C433-V438 HydrophobicContact CB-CG2 3.4Å; C433-V438 VanDerWaalsContact CB-CG2 3.4Å
434	K	79.4	Confident	92.5	Very high	183 Å²	183	69.3 Å²	69.3	80%	0.796	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-106.2	-171.9	-55.8	173.7	-178.5	175	0	110.7
435	R	78.4	Confident	92.3	Very high	240 Å²	240	68.9 Å²	68.9	91%	0.906	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	5.9	179.6	-64.1	-172.5	-178	176.6	1.5	113.8	C433	C433-R435 PolarHBondContact O-N 3.47Å
436	L	89	Confident	92.2	Very high	127 Å²	127	65.3 Å²	65.3	67%	0.665	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.4	-178.7	-64.5	173.1	0	0	0	110.4	R432 C433	R432-L436 CarbonylContact C-O 3.5Å; R432-L436 VanDerWaalsContact CA-O 3.32Å; R432-L436 WeakPolarHBondContact CA-O 3.26Å; C433-L436 PolarHBondContact N-O 2.93Å; C433-L436 PolarHBondContact O-N 3.48Å
437	P	90	Very high	92.1	Very high	84 Å²	84	64.7 Å²	64.7	55%	0.545	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	140	165.4	-28.9	38.1	0	0	0	112.1	E430	E430-P437 HydrophobicContact CG-CB 4.31Å; E430-P437 WeakPolarHBondContact OE1-CB 3.48Å
438	V	93.9	Very high	91.7	Very high	42 Å²	42	70.9 Å²	70.9	26%	0.255	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.3	172.3	172.1	0	0	0	0	108.9	Y431 C433 V440 K452	Y431-V438 PolarHBondContact N-O 2.77Å; Y431-V438 PolarHBondContact O-N 2.61Å; C433-V438 HydrophobicContact CB-CG2 3.4Å; C433-V438 VanDerWaalsContact CB-CG2 3.4Å; V438-V440 HydrophobicContact CG1-CG2 4.43Å; V438-K452 HydrophobicContact CG1-CD 4.45Å
439	V	94.7	Very high	91.1	Very high	67 Å²	67	70.9 Å²	70.9	41%	0.406	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130	176.3	-177	0	0	0	0	109.7	A428 L429 A596	A428-V439 HydrophobicContact CB-CG1 3.64Å; L429-V439 CarbonylContact O-C 3.49Å; L429-V439 WeakPolarHBondContact O-CA 3.32Å; V439-A596 HydrophobicContact CG1-CB 3.96Å; V439-A596 HydrophobicContact CG2-CB 4.25Å
440	V	94.8	Very high	90.4	Very high	15 Å²	15	75.2 Å²	75.2	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.1	178.6	-175.5	0	0	0	0	108.3	A428 L429 Y431 V438 P442 W447 K452	A428-V440 WeakPolarHBondContact CA-O 3.43Å; L429-V440 PolarHBondContact N-O 2.93Å; L429-V440 PolarHBondContact O-N 2.81Å; Y431-V440 HydrophobicContact CD2-CB 4.37Å; Y431-V440 HydrophobicContact CD2-CG2 3.78Å; Y431-V440 HydrophobicContact CE2-CG2 4.43Å; V438-V440 HydrophobicContact CG1-CG2 4.43Å; V440-P442 WeakPolarHBondContact O-CD 3.3Å; V440-W447 HydrophobicContact CG1-CB 3.66Å; V440-W447 HydrophobicContact CG1-CG 4.15Å; V440-K452 HydrophobicContact CG2-CD 3.55Å; V440-K452 VanDerWaalsContact CG2-CE 3.48Å
441	H	95.2	Very high	89.9	Confident	132 Å²	132	82 Å²	82	61%	0.611	41%	0.406	S	S	*	.			trans	-108.1	105.5	178.7	-61.8	86.7	0	0	0	108.3	V443	H441-V443 PolarHBondContact O-N 3.24Å
442	P	95.6	Very high	89.6	Confident	14 Å²	14	84 Å²	84	9%	0.091	41%	0.414	C	S	.	.			trans	-58.7	137.1	175.9	-23.6	34.8	0	0	0	111.4	A426 P427 L429 V440 I446 W447 Y810	A426-P442 HydrophobicContact CB-CB 4.4Å; P427-P442 WeakPolarHBondContact O-CD 3.33Å; L429-P442 HydrophobicContact CD1-CG 4.16Å; L429-P442 HydrophobicContact CG-CG 4.26Å; V440-P442 WeakPolarHBondContact O-CD 3.3Å; P442-I446 WeakPolarHBondContact CA-O 3.21Å; P442-W447 HydrophobicContact CB-CE3 4.12Å; P442-W447 HydrophobicContact CG-CD2 4.47Å; P442-W447 HydrophobicContact CG-CE3 4.03Å; P442-Y810 HydrophobicContact CB-CD1 4.34Å; P442-Y810 HydrophobicContact CB-CE1 3.64Å; P442-Y810 HydrophobicContact CG-CD1 3.93Å; P442-Y810 HydrophobicContact CG-CE1 3.7Å
443	V	92.4	Very high	89.6	Confident	115 Å²	115	81.7 Å²	81.7	70%	0.697	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-108.9	117.8	175.1	179.8	0	0	0	0	107.6	H441 G445 I446	H441-V443 PolarHBondContact O-N 3.24Å; V443-G445 PolarHBondContact O-N 3.42Å; V443-I446 PolarHBondContact N-O 2.93Å; V443-I446 PolarHBondContact O-N 3.43Å
444	N	90	Very high	90.1	Very high	64 Å²	64	79.6 Å²	79.6	34%	0.342	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	43.3	-175	-169.6	49.6	0	0	0	112.1	I446 I754 Q779	N444-I446 VanDerWaalsContact C-N 3.34Å; N444-I446 PolarHBondContact O-N 3.35Å; N444-I754 WeakPolarHBondContact O-CG1 3.45Å; N444-I754 WeakPolarHBondContact OD1-CG1 3.46Å; N444-I754 PolarHBondContact OD1-N 2.98Å; N444-Q779 PolarHBondContact ND2-NE2 3.49Å; N444-Q779 PolarHBondContact ND2-OE1 3.43Å
445	G	93	Very high	90.8	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	2.6	178.3	0	0	0	0	0	116.7	V443 Y810 Y817 S818	V443-G445 PolarHBondContact O-N 3.42Å; G445-Y810 WeakPolarHBondContact CA-OH 3.39Å; G445-Y817 CarbonylContact O-C 3.42Å; G445-Y817 WeakPolarHBondContact O-CA 3.38Å; G445-S818 PolarHBondContact O-N 2.88Å
446	I	94.5	Very high	91.6	Very high	84 Å²	84	67 Å²	67	43%	0.431	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-115.6	141.6	-178.2	-55.1	174.6	0	0	0	110.3	P442 V443 N444 A776	P442-I446 WeakPolarHBondContact CA-O 3.21Å; V443-I446 PolarHBondContact N-O 2.93Å; V443-I446 PolarHBondContact O-N 3.43Å; N444-I446 VanDerWaalsContact C-N 3.34Å; N444-I446 PolarHBondContact O-N 3.35Å; I446-A776 HydrophobicContact CD1-CB 4.43Å; I446-A776 HydrophobicContact CG1-CB 3.77Å
447	W	93.7	Very high	91.9	Very high	10 Å²	10	63.2 Å²	63.2	4%	0.038	33%	0.329	C	S	.	.			trans	-141.2	168.1	170.5	68.6	101.2	0	0	0	112.2	L429 Y431 V440 P442 Y810 T816	L429-W447 HydrophobicContact CD1-CD2 3.85Å; L429-W447 HydrophobicContact CD1-CE3 4.11Å; L429-W447 HydrophobicContact CD1-CG 4.5Å; L429-W447 HydrophobicContact CD1-CH2 3.85Å; L429-W447 HydrophobicContact CD1-CZ2 3.55Å; L429-W447 HydrophobicContact CD1-CZ3 4.11Å; Y431-W447 AromaticContact CE2-CD1 3.94Å; Y431-W447 AromaticContact CE2-NE1 3.53Å; Y431-W447 AromaticContact CZ-NE1 3.55Å; Y431-W447 PolarHBondContact OH-NE1 2.94Å; V440-W447 HydrophobicContact CG1-CB 3.66Å; V440-W447 HydrophobicContact CG1-CG 4.15Å; P442-W447 HydrophobicContact CB-CE3 4.12Å; P442-W447 HydrophobicContact CG-CD2 4.47Å; P442-W447 HydrophobicContact CG-CE3 4.03Å; W447-Y810 HydrophobicContact CE3-CD1 4.2Å; W447-Y810 HydrophobicContact CE3-CE1 4.48Å; W447-Y810 HydrophobicContact CH2-CD1 4.14Å; W447-Y810 AromaticContact CZ3-CD1 3.53Å; W447-Y810 HydrophobicContact CZ3-CD1 3.53Å; W447-Y810 HydrophobicContact CZ3-CE1 4.07Å; W447-T816 PolarHBondContact N-O 3.36Å; W447-T816 WeakPolarHBondContact O-CB 3.44Å; W447-T816 VanDerWaalsContact O-O 3.09Å; W447-T816 PolarHBondContact O-OG1 3.4Å; W447-T816 VanDerWaalsContact O-OG1 3.09Å
448	Q	88	Confident	92.2	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	31%	0.307	S	S	*	.			trans	-123.4	144.3	-178	-69.8	-177.5	-10.7	0	0	112.3	K452	Q448-K452 WeakPolarHBondContact O-CE 3.37Å; Q448-K452 PolarHBondContact O-NZ 2.98Å
449	M	84.3	Confident	92.4	Very high	18 Å²	18	61 Å²	61	9%	0.089	31%	0.313	C	S	.	.			trans	-101.2	9.2	-176.1	-73.1	-59.9	-65.5	0	0	114.2	Y431 E451 K452 L454 M491 T816	Y431-M449 HydrophobicContact CD1-CE 3.27Å; Y431-M449 HydrophobicContact CD1-SD 3.65Å; Y431-M449 HydrophobicContact CD2-SD 3.99Å; Y431-M449 HydrophobicContact CE1-CE 3.28Å; Y431-M449 HydrophobicContact CE1-SD 3.32Å; Y431-M449 WeakPolarHBondContact CE1-SD 3.1Å; Y431-M449 HydrophobicContact CE2-SD 3.68Å; Y431-M449 HydrophobicContact CG-CE 3.96Å; Y431-M449 HydrophobicContact CG-SD 3.96Å; M449-E451 PolarHBondContact O-N 2.59Å; M449-K452 HydrophobicContact CE-CB 3.81Å; M449-K452 PolarHBondContact O-N 3.34Å; M449-K452 VanDerWaalsContact O-N 3.15Å; M449-K452 HydrophobicContact SD-CB 4.3Å; M449-K452 HydrophobicContact SD-CD 4.29Å; M449-L454 HydrophobicContact CE-CD2 4.38Å; M449-M491 HydrophobicContact CB-CE 4.3Å; M449-T816 HydrophobicContact CB-CG2 4.42Å; M449-T816 HydrophobicContact CG-CG2 3.48Å; M449-T816 VanDerWaalsContact CG-CG2 3.48Å
450	D	83	Confident	92.5	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.1	177.8	-62.5	-49.8	0	0	0	110.4	K452	D450-K452 PolarHBondContact O-N 2.88Å; D450-K452 PolarHBondContact O-NZ 3.2Å
451	E	83.3	Confident	92.6	Very high	185 Å²	185	59.1 Å²	59.1	86%	0.864	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	17.9	-177.8	-55.7	179.6	-175.7	0	0	115.5	M449	M449-E451 PolarHBondContact O-N 2.59Å
452	K	88.7	Confident	92.7	Very high	44 Å²	44	54.4 Å²	54.4	19%	0.191	28%	0.283	C	S	.	.			trans	-111.5	149.6	178.1	-61.7	172.9	-161	70.8	0	111.1	R432 V438 V440 Q448 M449 D450	R432-K452 CarbonylContact O-C 3.56Å; R432-K452 WeakPolarHBondContact O-CA 3.36Å; V438-K452 HydrophobicContact CG1-CD 4.45Å; V440-K452 HydrophobicContact CG2-CD 3.55Å; V440-K452 VanDerWaalsContact CG2-CE 3.48Å; Q448-K452 WeakPolarHBondContact O-CE 3.37Å; Q448-K452 PolarHBondContact O-NZ 2.98Å; M449-K452 HydrophobicContact CE-CB 3.81Å; M449-K452 PolarHBondContact O-N 3.34Å; M449-K452 VanDerWaalsContact O-N 3.15Å; M449-K452 HydrophobicContact SD-CB 4.3Å; M449-K452 HydrophobicContact SD-CD 4.29Å; D450-K452 PolarHBondContact O-N 2.88Å; D450-K452 PolarHBondContact O-NZ 3.2Å
453	C	94.1	Very high	92.8	Very high	24 Å²	24	53.8 Å²	53.8	16%	0.162	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-111	158.9	173	-56	0	0	0	0	110.3	R432 M491	R432-C453 HydrophobicContact CB-CB 4.24Å; R432-C453 PolarHBondContact N-O 2.89Å; R432-C453 PolarHBondContact O-N 3.31Å; C453-M491 VanDerWaalsContact CA-O 3.28Å; C453-M491 WeakPolarHBondContact CA-O 3.23Å; C453-M491 WeakPolarHBondContact CB-O 3.16Å
454	L	95.3	Very high	93.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.			trans	-68	148.7	-178.8	-54	172.2	0	0	0	111.6	R432 M449 K456 M491 M493 L582 N585 N592	R432-L454 PolarHBondContact NH1-O 2.78Å; M449-L454 HydrophobicContact CE-CD2 4.38Å; L454-K456 VanDerWaalsContact C-N 3.25Å; L454-K456 PolarHBondContact O-N 3.33Å; L454-M491 HydrophobicContact CD1-CB 4.21Å; L454-M491 HydrophobicContact CD2-CB 4.48Å; L454-M491 HydrophobicContact CD2-SD 4.31Å; L454-M491 HydrophobicContact CG-CB 4.04Å; L454-M491 PolarHBondContact N-O 2.9Å; L454-M493 HydrophobicContact CD1-CG 3.8Å; L454-M493 HydrophobicContact CD1-SD 4.04Å; L454-L582 HydrophobicContact CD2-CD2 3.71Å; L454-N585 HydrophobicContact CD1-CB 3.5Å; L454-N585 VanDerWaalsContact CD1-CB 3.5Å; L454-N585 WeakPolarHBondContact CD1-ND2 3.34Å; L454-N592 HydrophobicContact CD2-CB 4.21Å
455	F	94.9	Very high	93.5	Very high	45 Å²	45	45.3 Å²	45.3	20%	0.197	23%	0.229	C	C	.	.	S	Bend	trans	-66.4	-20.2	179.5	-176	-94.7	0	0	0	113.9	E430 R432 V591 N592 H594	E430-F455 HydrophobicContact CG-CD2 4.34Å; E430-F455 HydrophobicContact CG-CE2 4.32Å; R432-F455 PolarHBondContact NE-O 3.26Å; R432-F455 PolarHBondContact NH1-O 3.34Å; R432-F455 PolarHBondContact NH2-O 3.46Å; F455-V591 CarbonylContact C-O 3.54Å; F455-V591 HydrophobicContact CB-CG1 4.37Å; F455-V591 HydrophobicContact CD1-CB 4.28Å; F455-V591 HydrophobicContact CD1-CG1 3.89Å; F455-V591 PolarHBondContact N-O 2.8Å; F455-N592 VanDerWaalsContact CB-O 3.31Å; F455-N592 WeakPolarHBondContact CB-O 3.35Å; F455-N592 PolarHBondContact N-O 3.43Å; F455-H594 AromaticContact CD2-CD2 3.7Å; F455-H594 AromaticContact CD2-NE2 3.66Å; F455-H594 AromaticContact CE2-CD2 3.62Å; F455-H594 AromaticContact CE2-CE1 3.72Å; F455-H594 AromaticContact CE2-NE2 3.12Å; F455-H594 WeakPolarHBondContact CE2-NE2 3.06Å; F455-H594 AromaticContact CZ-CD2 3.99Å; F455-H594 AromaticContact CZ-CE1 3.66Å; F455-H594 AromaticContact CZ-NE2 3.54Å
456	K	95.3	Very high	93.7	Very high	112 Å²	112	45.3 Å²	45.3	49%	0.487	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-155.4	92.6	166.4	-172.9	-177.2	177.4	-176.8	0	106.6	L454 N585 G590 V591	L454-K456 VanDerWaalsContact C-N 3.25Å; L454-K456 PolarHBondContact O-N 3.33Å; K456-N585 PolarHBondContact O-ND2 3.36Å; K456-N585 VanDerWaalsContact O-ND2 3.08Å; K456-N585 PolarHBondContact O-OD1 3.08Å; K456-G590 CarbonylContact O-C 3.59Å; K456-G590 WeakPolarHBondContact O-CA 3.28Å; K456-V591 CarbonylContact C-O 3.58Å; K456-V591 HydrophobicContact CB-CB 3.77Å; K456-V591 HydrophobicContact CB-CG2 4.22Å; K456-V591 HydrophobicContact CD-CG2 4.37Å; K456-V591 PolarHBondContact N-O 2.64Å; K456-V591 PolarHBondContact O-N 2.88Å
457	P	95.7	Very high	93.9	Very high	48 Å²	48	41.3 Å²	41.3	31%	0.312	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-70.4	135.4	179.9	26.8	-32.2	0	0	0	110.3	G492 M493 N585	P457-G492 WeakPolarHBondContact CB-O 3.46Å; P457-G492 VanDerWaalsContact CG-O 3.23Å; P457-G492 WeakPolarHBondContact CG-O 3.35Å; P457-M493 HydrophobicContact CB-CB 4.49Å; P457-M493 HydrophobicContact CB-CG 4.15Å; P457-N585 WeakPolarHBondContact CA-OD1 3.46Å
458	A	96.8	Very high	94	Very high	10 Å²	10	41.3 Å²	41.3	8%	0.083	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-82.1	162.9	173.5	0	0	0	0	0	111.4	M493 R494 N585 L588	A458-M493 HydrophobicContact CB-CE 4.15Å; A458-R494 PolarHBondContact O-N 2.95Å; A458-N585 WeakPolarHBondContact CB-OD1 3.32Å; A458-N585 PolarHBondContact N-OD1 2.69Å; A458-L588 HydrophobicContact CB-CB 3.63Å; A458-L588 WeakPolarHBondContact CB-O 3.48Å
459	N	97.5	Very high	94.1	Very high	71 Å²	71	35.8 Å²	35.8	38%	0.38	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.5	171.1	-171.4	43.7	0	0	0	109.6	S461 R494	N459-S461 PolarHBondContact ND2-OG 3.19Å; N459-S461 PolarHBondContact OD1-OG 3.07Å; N459-S461 VanDerWaalsContact OD1-OG 3.05Å; N459-R494 WeakPolarHBondContact OD1-CB 3.33Å; N459-R494 PolarHBondContact OD1-O 3.25Å
460	C	97.1	Very high	94.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	69.7	171.7	-169.3	0	0	0	0	109	N462 R494 M495 S496 E530 L588	C460-N462 VanDerWaalsContact C-N 3.31Å; C460-R494 CarbonylContact C-O 3.55Å; C460-R494 PolarHBondContact N-O 3.29Å; C460-M495 HydrophobicContact CB-CG 4.15Å; C460-M495 VanDerWaalsContact O-CA 3.29Å; C460-M495 WeakPolarHBondContact O-CA 3.46Å; C460-S496 PolarHBondContact O-N 3.04Å; C460-E530 WeakPolarHBondContact CA-OE2 3.34Å; C460-L588 HydrophobicContact CB-CD1 3.76Å
461	S	95.2	Very high	94.4	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	22%	0.22	S	C	.	.			trans	-71.7	-26.5	179.4	-61.1	0	0	0	0	112.4	N459 S496 E530	N459-S461 PolarHBondContact ND2-OG 3.19Å; N459-S461 PolarHBondContact OD1-OG 3.07Å; N459-S461 VanDerWaalsContact OD1-OG 3.05Å; S461-S496 WeakPolarHBondContact O-CB 3.32Å; S461-S496 PolarHBondContact O-OG 3.11Å; S461-E530 PolarHBondContact N-OE2 3.45Å
462	N	97.6	Very high	94.7	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.182	21%	0.206	C	C	.	.	S	Bend	trans	-129	104.8	-170.6	-68.9	103.4	0	0	0	110.8	C460 Y522 M527 T528 E530	C460-N462 VanDerWaalsContact C-N 3.31Å; N462-Y522 HydrophobicContact CB-CD1 4.4Å; N462-Y522 HydrophobicContact CB-CE1 3.67Å; N462-M527 PolarHBondContact ND2-SD 3.23Å; N462-M527 VanDerWaalsContact ND2-SD 3.39Å; N462-T528 WeakPolarHBondContact CB-O 3.25Å; N462-E530 PolarHBondContact N-OE2 3.44Å; N462-E530 WeakPolarHBondContact O-CB 3.46Å; N462-E530 PolarHBondContact O-N 2.85Å
463	Y	98.3	Very high	94.6	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.7	177.7	79.8	-76.7	0	0	0	112.4	C481 M495 S496 N498 A499 D500 Y522 L531 F533	Y463-C481 HydrophobicContact CE2-CB 3.94Å; Y463-M495 HydrophobicContact CD1-CE 3.75Å; Y463-M495 HydrophobicContact CD1-CG 4.45Å; Y463-M495 HydrophobicContact CD2-CE 3.85Å; Y463-M495 HydrophobicContact CE1-CE 3.8Å; Y463-M495 HydrophobicContact CE1-CG 4.29Å; Y463-M495 HydrophobicContact CE2-CE 3.84Å; Y463-M495 HydrophobicContact CG-CE 3.78Å; Y463-S496 WeakPolarHBondContact CE1-O 3.33Å; Y463-S496 PolarHBondContact OH-O 3.12Å; Y463-N498 WeakPolarHBondContact CE1-O 3.29Å; Y463-N498 VanDerWaalsContact OH-C 3.26Å; Y463-A499 HydrophobicContact CD2-CB 4.08Å; Y463-A499 HydrophobicContact CE2-CB 3.61Å; Y463-A499 WeakPolarHBondContact O-CA 3.45Å; Y463-A499 PolarHBondContact OH-N 2.73Å; Y463-D500 PolarHBondContact O-N 2.61Å; Y463-Y522 WeakPolarHBondContact CA-OH 2.93Å; Y463-Y522 PolarHBondContact N-OH 3.14Å; Y463-Y522 VanDerWaalsContact N-OH 3.15Å; Y463-Y522 PolarHBondContact O-OH 2.74Å; Y463-Y522 VanDerWaalsContact O-OH 3.09Å; Y463-L531 VanDerWaalsContact CA-O 3.22Å; Y463-L531 WeakPolarHBondContact CA-O 3.48Å; Y463-L531 VanDerWaalsContact CB-O 3.25Å; Y463-L531 WeakPolarHBondContact CB-O 3.48Å; Y463-F533 AromaticContact CD2-CD2 3.68Å; Y463-F533 HydrophobicContact CD2-CD2 3.68Å; Y463-F533 AromaticContact CD2-CE2 3.75Å; Y463-F533 HydrophobicContact CD2-CE2 3.75Å; Y463-F533 AromaticContact CE2-CD2 3.72Å; Y463-F533 HydrophobicContact CE2-CD2 3.72Å; Y463-F533 AromaticContact CE2-CE2 3.63Å; Y463-F533 HydrophobicContact CE2-CE2 3.63Å
464	S	98.7	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	174.9	178.2	-73.8	0	0	0	0	111.3	M501 Y522 L531 I532 F533	S464-M501 CarbonylContact C-O 3.5Å; S464-M501 WeakPolarHBondContact CA-O 3.45Å; S464-M501 PolarHBondContact OG-N 2.72Å; S464-Y522 WeakPolarHBondContact OG-CE2 3.42Å; S464-Y522 PolarHBondContact OG-OH 3.09Å; S464-L531 PolarHBondContact N-O 3.12Å; S464-I532 CarbonylContact O-C 3.57Å; S464-I532 WeakPolarHBondContact O-CA 3.3Å; S464-F533 PolarHBondContact O-N 3.29Å
465	A	98.2	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.9	175	0	0	0	0	0	112	V477 M501 V502 I503 F533	A465-V477 HydrophobicContact CB-CG1 3.99Å; A465-M501 PolarHBondContact N-O 2.75Å; A465-V502 HydrophobicContact CB-CG1 4.33Å; A465-V502 HydrophobicContact CB-CG2 4.18Å; A465-V502 CarbonylContact O-C 3.5Å; A465-V502 VanDerWaalsContact O-CA 3.27Å; A465-V502 WeakPolarHBondContact O-CA 3.39Å; A465-I503 PolarHBondContact O-N 2.83Å; A465-F533 CarbonylContact C-O 3.54Å; A465-F533 VanDerWaalsContact CA-O 3.26Å; A465-F533 WeakPolarHBondContact CA-O 3.39Å; A465-F533 HydrophobicContact CB-CB 4.04Å
466	I	98.4	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.7	171.6	-61.1	172.7	0	0	0	107.9	I503 V505 L511 A514 I515 I532 F533 V534 A535	I466-I503 CarbonylContact C-O 3.54Å; I466-I503 WeakPolarHBondContact CA-O 3.4Å; I466-V505 HydrophobicContact CG2-CB 4.33Å; I466-V505 HydrophobicContact CG2-CG1 3.74Å; I466-V505 HydrophobicContact CG2-CG2 3.58Å; I466-L511 HydrophobicContact CB-CD1 4.47Å; I466-L511 HydrophobicContact CD1-CD1 4.1Å; I466-L511 HydrophobicContact CG2-CD1 3.81Å; I466-A514 HydrophobicContact CD1-CB 3.79Å; I466-A514 HydrophobicContact CG1-CB 4.19Å; I466-A514 HydrophobicContact CG2-CB 4.22Å; I466-I515 HydrophobicContact CD1-CG1 3.58Å; I466-I532 HydrophobicContact CB-CG2 4.38Å; I466-I532 HydrophobicContact CD1-CG2 3.9Å; I466-I532 HydrophobicContact CG1-CG2 3.89Å; I466-F533 PolarHBondContact N-O 2.76Å; I466-V534 CarbonylContact O-C 3.59Å; I466-V534 VanDerWaalsContact O-CA 3.29Å; I466-V534 WeakPolarHBondContact O-CA 3.22Å; I466-A535 PolarHBondContact O-N 3.44Å
467	S	97.2	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.9	-172.1	169.5	0	0	0	0	113	L469 I503 P504 V505	S467-L469 PolarHBondContact O-N 2.92Å; S467-L469 VanDerWaalsContact OG-CB 3.28Å; S467-L469 WeakPolarHBondContact OG-CB 3.33Å; S467-L469 WeakPolarHBondContact OG-CG 3.45Å; S467-L469 PolarHBondContact OG-N 3.45Å; S467-I503 PolarHBondContact N-O 3.25Å; S467-P504 WeakPolarHBondContact O-CA 3.08Å; S467-V505 PolarHBondContact O-N 2.95Å
468	F	95.7	Very high	93.4	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.048	21%	0.21	C	C	.	.			trans	-79.5	-2.8	165.5	-68.9	-87.6	0	0	0	113.1	V505 N507 L511 V534 A535 V536 N537 H541	F468-V505 WeakPolarHBondContact CA-O 3.46Å; F468-V505 HydrophobicContact CD1-CG2 3.69Å; F468-V505 HydrophobicContact CD2-CG2 3.98Å; F468-V505 HydrophobicContact CE1-CG2 3.74Å; F468-V505 HydrophobicContact CE2-CG2 4Å; F468-V505 HydrophobicContact CG-CG2 3.83Å; F468-V505 HydrophobicContact CZ-CG2 3.9Å; F468-N507 WeakPolarHBondContact CE1-O 3.35Å; F468-L511 HydrophobicContact CE2-CD1 4.33Å; F468-L511 HydrophobicContact CE2-CD2 4.11Å; F468-L511 HydrophobicContact CZ-CB 3.87Å; F468-L511 HydrophobicContact CZ-CD1 4.46Å; F468-L511 HydrophobicContact CZ-CD2 3.86Å; F468-L511 HydrophobicContact CZ-CG 4.29Å; F468-V534 HydrophobicContact CD2-CG1 4.32Å; F468-V534 HydrophobicContact CE2-CG1 4.11Å; F468-A535 WeakPolarHBondContact CB-O 2.75Å; F468-A535 WeakPolarHBondContact CD2-O 3.25Å; F468-A535 PolarHBondContact N-O 2.94Å; F468-V536 HydrophobicContact CD2-CG1 4.47Å; F468-N537 PolarHBondContact O-ND2 3.17Å; F468-H541 WeakPolarHBondContact CB-ND1 3.25Å; F468-H541 AromaticContact CD1-CE1 3.33Å; F468-H541 WeakPolarHBondContact CD1-CE1 3.41Å; F468-H541 AromaticContact CD1-CG 3.85Å; F468-H541 AromaticContact CD1-ND1 3.31Å; F468-H541 VanDerWaalsContact CD1-ND1 3.31Å; F468-H541 WeakPolarHBondContact CD1-ND1 3.41Å; F468-H541 AromaticContact CD1-NE2 3.86Å; F468-H541 HydrophobicContact CD2-CB 4.03Å; F468-H541 AromaticContact CD2-ND1 3.71Å; F468-H541 AromaticContact CE1-CD2 3.99Å; F468-H541 AromaticContact CE1-CE1 3.93Å; F468-H541 AromaticContact CE1-CG 3.91Å; F468-H541 AromaticContact CE1-ND1 3.86Å; F468-H541 HydrophobicContact CE2-CB 3.93Å; F468-H541 HydrophobicContact CG-CB 4.39Å; F468-H541 AromaticContact CG-CE1 3.66Å; F468-H541 AromaticContact CG-CG 3.88Å; F468-H541 AromaticContact CG-ND1 3.19Å; F468-H541 WeakPolarHBondContact CG-ND1 3.33Å; F468-H541 HydrophobicContact CZ-CB 4.18Å
469	L	91.5	Very high	93.1	Very high	16 Å²	16	46.6 Å²	46.6	8%	0.084	22%	0.222	C	C	.	.	S	Bend	trans	-68.7	151.1	175.4	-51.2	-176.7	0	0	0	110.8	S467 R473 V477 A535 N537 A562 F565	S467-L469 PolarHBondContact O-N 2.92Å; S467-L469 VanDerWaalsContact OG-CB 3.28Å; S467-L469 WeakPolarHBondContact OG-CB 3.33Å; S467-L469 WeakPolarHBondContact OG-CG 3.45Å; S467-L469 PolarHBondContact OG-N 3.45Å; L469-R473 HydrophobicContact CB-CB 4.12Å; L469-R473 HydrophobicContact CD1-CB 4.36Å; L469-V477 HydrophobicContact CD1-CG2 3.76Å; L469-A535 HydrophobicContact CD1-CB 4.16Å; L469-A535 HydrophobicContact CG-CB 3.92Å; L469-N537 VanDerWaalsContact CD2-OD1 3.24Å; L469-N537 WeakPolarHBondContact CD2-OD1 3.38Å; L469-A562 HydrophobicContact CD2-CB 3.51Å; L469-F565 HydrophobicContact CD1-CB 4.07Å; L469-F565 HydrophobicContact CD1-CD1 4.4Å; L469-F565 HydrophobicContact CD1-CD2 3.9Å; L469-F565 HydrophobicContact CD1-CE2 4.43Å; L469-F565 HydrophobicContact CD1-CG 3.86Å
470	H	88	Confident	92.7	Very high	134 Å²	134	43.2 Å²	43.2	62%	0.62	20%	0.204	S	C	*	.			trans	-56.5	145.7	173.6	-171.6	-90.3	0	0	0	111.4	N472 R473	H470-N472 PolarHBondContact ND1-N 3.15Å; H470-N472 PolarHBondContact ND1-OD1 2.91Å; H470-N472 PolarHBondContact O-N 2.91Å; H470-N472 VanDerWaalsContact O-N 3.09Å; H470-R473 WeakPolarHBondContact O-CB 3.22Å; H470-R473 PolarHBondContact O-N 3.33Å
471	R	86	Confident	92.5	Very high	192 Å²	192	43.2 Å²	43.2	73%	0.725	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-54.4	-35.2	-172.3	-69.5	-174.5	176.2	-171.2	-1.2	113.9	R473 L474 P504	R471-R473 PolarHBondContact O-N 3.46Å; R471-R473 VanDerWaalsContact O-N 3.15Å; R471-L474 HydrophobicContact CB-CD1 4.31Å; R471-L474 HydrophobicContact CG-CD1 4.41Å; R471-L474 WeakPolarHBondContact O-CB 3.06Å; R471-L474 WeakPolarHBondContact O-CG 3.26Å; R471-L474 PolarHBondContact O-N 3.11Å; R471-P504 HydrophobicContact CG-CB 4.24Å; R471-P504 HydrophobicContact CG-CG 4.43Å
472	N	87.7	Confident	92.3	Very high	105 Å²	105	45.1 Å²	45.1	56%	0.561	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-66.1	-11.2	176.1	70.3	-8.6	0	0	0	114.4	H470 H475	H470-N472 PolarHBondContact ND1-N 3.15Å; H470-N472 PolarHBondContact ND1-OD1 2.91Å; H470-N472 PolarHBondContact O-N 2.91Å; H470-N472 VanDerWaalsContact O-N 3.09Å; N472-H475 PolarHBondContact O-CE1 3.12Å; N472-H475 PolarHBondContact O-ND1 3.43Å
473	R	87.5	Confident	92	Very high	91 Å²	91	45 Å²	45	34%	0.343	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-101.3	-3.1	177.3	-60.6	-64.3	-68.3	-161.2	4.4	113.4	L469 H470 R471 H475 N476	L469-R473 HydrophobicContact CB-CB 4.12Å; L469-R473 HydrophobicContact CD1-CB 4.36Å; H470-R473 WeakPolarHBondContact O-CB 3.22Å; H470-R473 PolarHBondContact O-N 3.33Å; R471-R473 PolarHBondContact O-N 3.46Å; R471-R473 VanDerWaalsContact O-N 3.15Å; R473-H475 PolarHBondContact O-N 3.23Å; R473-N476 PolarHBondContact NE-ND2 3.39Å; R473-N476 VanDerWaalsContact NE-ND2 3.11Å; R473-N476 VanDerWaalsContact O-CB 3.26Å; R473-N476 WeakPolarHBondContact O-CB 3.36Å; R473-N476 PolarHBondContact O-N 2.87Å; R473-N476 PolarHBondContact O-ND2 3.46Å; R473-N476 VanDerWaalsContact O-ND2 3.14Å
474	L	88.9	Confident	91.7	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-32.4	-175.5	-69.9	172.2	0	0	0	113.5	R471 N476 V477 V478 V502 P504	R471-L474 HydrophobicContact CB-CD1 4.31Å; R471-L474 HydrophobicContact CG-CD1 4.41Å; R471-L474 WeakPolarHBondContact O-CB 3.06Å; R471-L474 WeakPolarHBondContact O-CG 3.26Å; R471-L474 PolarHBondContact O-N 3.11Å; L474-N476 PolarHBondContact O-N 3.44Å; L474-V477 WeakPolarHBondContact O-CA 3.38Å; L474-V477 WeakPolarHBondContact O-CB 3.13Å; L474-V477 PolarHBondContact O-N 3.04Å; L474-V478 PolarHBondContact O-N 3.45Å; L474-V478 VanDerWaalsContact O-N 3.07Å; L474-V502 HydrophobicContact CD2-CG1 4.29Å; L474-P504 HydrophobicContact CD1-CB 3.99Å; L474-P504 HydrophobicContact CD1-CG 3.99Å; L474-P504 HydrophobicContact CD2-CB 4.15Å
475	H	89.7	Confident	91.4	Very high	107 Å²	107	44.9 Å²	44.9	50%	0.495	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-31.1	173.3	66.6	-91.3	0	0	0	112.7	N472 R473 V477 V478 Q479	N472-H475 PolarHBondContact O-CE1 3.12Å; N472-H475 PolarHBondContact O-ND1 3.43Å; R473-H475 PolarHBondContact O-N 3.23Å; H475-V477 VanDerWaalsContact C-N 3.34Å; H475-V478 PolarHBondContact O-N 3.41Å; H475-Q479 WeakPolarHBondContact O-CB 3.35Å; H475-Q479 PolarHBondContact O-N 3.4Å
476	N	88.8	Confident	91.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-32.9	175.4	-58.9	-60.8	0	0	0	112	R473 L474 F480 F565 L569	R473-N476 PolarHBondContact NE-ND2 3.39Å; R473-N476 VanDerWaalsContact NE-ND2 3.11Å; R473-N476 VanDerWaalsContact O-CB 3.26Å; R473-N476 WeakPolarHBondContact O-CB 3.36Å; R473-N476 PolarHBondContact O-N 2.87Å; R473-N476 PolarHBondContact O-ND2 3.46Å; R473-N476 VanDerWaalsContact O-ND2 3.14Å; L474-N476 PolarHBondContact O-N 3.44Å; N476-F480 WeakPolarHBondContact O-CB 3.42Å; N476-F480 PolarHBondContact O-N 3.04Å; N476-F565 HydrophobicContact CB-CB 4.31Å; N476-L569 VanDerWaalsContact OD1-CD1 3.23Å; N476-L569 WeakPolarHBondContact OD1-CD1 3.19Å; N476-L569 VanDerWaalsContact OD1-CD2 3.24Å; N476-L569 WeakPolarHBondContact OD1-CD2 3.46Å; N476-L569 WeakPolarHBondContact OD1-CG 3.28Å
477	V	90.8	Very high	90.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-45.5	176.1	-176.3	0	0	0	0	109.5	A465 L469 L474 H475 Q479 F480 C481 V502 A535 F565	A465-V477 HydrophobicContact CB-CG1 3.99Å; L469-V477 HydrophobicContact CD1-CG2 3.76Å; L474-V477 WeakPolarHBondContact O-CA 3.38Å; L474-V477 WeakPolarHBondContact O-CB 3.13Å; L474-V477 PolarHBondContact O-N 3.04Å; H475-V477 VanDerWaalsContact C-N 3.34Å; V477-Q479 PolarHBondContact O-N 3.39Å; V477-F480 WeakPolarHBondContact O-CB 3.36Å; V477-F480 PolarHBondContact O-N 2.98Å; V477-C481 WeakPolarHBondContact O-CB 3.31Å; V477-C481 PolarHBondContact O-N 2.77Å; V477-C481 PolarHBondContact O-SG 3.24Å; V477-V502 HydrophobicContact CB-CG1 4.42Å; V477-V502 HydrophobicContact CG1-CG1 4.17Å; V477-A535 HydrophobicContact CG2-CB 4.33Å; V477-F565 HydrophobicContact CB-CD1 4.47Å; V477-F565 HydrophobicContact CB-CE1 4.22Å; V477-F565 HydrophobicContact CG1-CE1 4.15Å; V477-F565 HydrophobicContact CG2-CD1 4.01Å; V477-F565 HydrophobicContact CG2-CE1 3.93Å
478	V	92.6	Very high	90.6	Very high	69 Å²	69	48.3 Å²	48.3	42%	0.418	23%	0.226	S	C	.	.	H	α-helix	trans	-56.8	-50.6	174.6	177.4	0	0	0	0	110.8	L474 H475 F480 C481 K482 V502	L474-V478 PolarHBondContact O-N 3.45Å; L474-V478 VanDerWaalsContact O-N 3.07Å; H475-V478 PolarHBondContact O-N 3.41Å; V478-F480 VanDerWaalsContact C-N 3.35Å; V478-F480 PolarHBondContact O-N 3.48Å; V478-C481 PolarHBondContact O-N 3.05Å; V478-K482 PolarHBondContact O-N 2.93Å; V478-K482 VanDerWaalsContact O-N 3.1Å; V478-V502 HydrophobicContact CG2-CB 4.49Å; V478-V502 HydrophobicContact CG2-CG2 3.94Å
479	Q	90.1	Very high	90.5	Very high	72 Å²	72	50.4 Å²	50.4	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-39.4	179.3	-172.5	59.8	49.1	0	0	112.2	H475 V477 K482 N483	H475-Q479 WeakPolarHBondContact O-CB 3.35Å; H475-Q479 PolarHBondContact O-N 3.4Å; V477-Q479 PolarHBondContact O-N 3.39Å; Q479-K482 PolarHBondContact O-N 2.91Å; Q479-N483 PolarHBondContact NE2-OD1 2.96Å; Q479-N483 PolarHBondContact O-N 2.89Å; Q479-N483 PolarHBondContact O-OD1 3.42Å
480	F	89.8	Confident	90.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-49.5	174.9	168.5	-92.4	0	0	0	111.3	N476 V477 V478 K482 N483 V484 F533 V560 I564 F565 A568 V577 L580	N476-F480 WeakPolarHBondContact O-CB 3.42Å; N476-F480 PolarHBondContact O-N 3.04Å; V477-F480 WeakPolarHBondContact O-CB 3.36Å; V477-F480 PolarHBondContact O-N 2.98Å; V478-F480 VanDerWaalsContact C-N 3.35Å; V478-F480 PolarHBondContact O-N 3.48Å; F480-K482 VanDerWaalsContact C-N 3.28Å; F480-K482 PolarHBondContact O-N 3.04Å; F480-N483 PolarHBondContact O-N 2.79Å; F480-N483 VanDerWaalsContact O-N 3.15Å; F480-V484 HydrophobicContact CD1-CG2 4.36Å; F480-V484 HydrophobicContact CD2-CG2 4.23Å; F480-V484 HydrophobicContact CE1-CG2 3.9Å; F480-V484 HydrophobicContact CE2-CG2 3.76Å; F480-V484 HydrophobicContact CZ-CG2 3.58Å; F480-V484 WeakPolarHBondContact O-CG2 3.42Å; F480-V484 PolarHBondContact O-N 3.37Å; F480-F533 AromaticContact CE1-CD1 3.94Å; F480-F533 HydrophobicContact CE1-CD1 3.94Å; F480-F533 HydrophobicContact CE1-CE1 4.05Å; F480-F533 HydrophobicContact CE1-CG 4.47Å; F480-V560 HydrophobicContact CE1-CG1 4.47Å; F480-V560 HydrophobicContact CE1-CG2 3.91Å; F480-V560 HydrophobicContact CE2-CG1 4.1Å; F480-V560 HydrophobicContact CZ-CB 4.3Å; F480-V560 HydrophobicContact CZ-CG1 3.85Å; F480-V560 HydrophobicContact CZ-CG2 3.66Å; F480-I564 HydrophobicContact CE2-CG2 4.06Å; F480-F565 HydrophobicContact CB-CD1 3.8Å; F480-F565 HydrophobicContact CB-CE1 3.87Å; F480-F565 HydrophobicContact CD1-CD1 4.35Å; F480-F565 AromaticContact CD1-CE1 3.61Å; F480-F565 HydrophobicContact CD1-CE1 3.61Å; F480-F565 HydrophobicContact CD1-CZ 4.31Å; F480-F565 HydrophobicContact CD2-CD1 4.4Å; F480-F565 HydrophobicContact CD2-CE1 4.31Å; F480-F565 HydrophobicContact CE1-CE1 4.23Å; F480-F565 AromaticContact CG-CD1 3.93Å; F480-F565 HydrophobicContact CG-CD1 3.93Å; F480-F565 AromaticContact CG-CE1 3.65Å; F480-F565 HydrophobicContact CG-CE1 3.65Å; F480-A568 HydrophobicContact CB-CB 4.15Å; F480-A568 HydrophobicContact CD2-CB 4.4Å; F480-V577 HydrophobicContact CE2-CG2 4.29Å; F480-L580 HydrophobicContact CE2-CD1 3.87Å; F480-L580 HydrophobicContact CZ-CD1 3.46Å; F480-L580 VanDerWaalsContact CZ-CD1 3.46Å
481	C	92.1	Very high	90.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-43.4	177.7	-73.2	0	0	0	0	111.5	Y463 V477 V478 V484 A485	Y463-C481 HydrophobicContact CE2-CB 3.94Å; V477-C481 WeakPolarHBondContact O-CB 3.31Å; V477-C481 PolarHBondContact O-N 2.77Å; V477-C481 PolarHBondContact O-SG 3.24Å; V478-C481 PolarHBondContact O-N 3.05Å; C481-V484 PolarHBondContact O-N 3.22Å; C481-A485 WeakPolarHBondContact O-CB 3.46Å; C481-A485 PolarHBondContact O-N 3.44Å
482	K	92	Very high	91	Very high	81 Å²	81	44 Å²	44	35%	0.352	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-44.5	175.9	-179.8	171.4	-178.7	179.1	0	112.8	V478 Q479 F480 A485 N486 T497	V478-K482 PolarHBondContact O-N 2.93Å; V478-K482 VanDerWaalsContact O-N 3.1Å; Q479-K482 PolarHBondContact O-N 2.91Å; F480-K482 VanDerWaalsContact C-N 3.28Å; F480-K482 PolarHBondContact O-N 3.04Å; K482-A485 PolarHBondContact O-N 2.91Å; K482-N486 WeakPolarHBondContact O-CB 3.22Å; K482-N486 VanDerWaalsContact O-CG 3.23Å; K482-N486 PolarHBondContact O-N 2.76Å; K482-T497 VanDerWaalsContact CA-O 3.3Å; K482-T497 WeakPolarHBondContact CA-O 3.27Å; K482-T497 HydrophobicContact CD-CG2 4.2Å; K482-T497 HydrophobicContact CG-CG2 3.82Å
483	N	90	Very high	91.4	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-41.3	179.4	-68.4	-8.6	0	0	0	111.7	Q479 F480 A487 A568 V577	Q479-N483 PolarHBondContact NE2-OD1 2.96Å; Q479-N483 PolarHBondContact O-N 2.89Å; Q479-N483 PolarHBondContact O-OD1 3.42Å; F480-N483 PolarHBondContact O-N 2.79Å; F480-N483 VanDerWaalsContact O-N 3.15Å; N483-A487 PolarHBondContact O-N 3Å; N483-A487 VanDerWaalsContact O-N 3.07Å; N483-A568 PolarHBondContact ND2-O 2.68Å; N483-V577 HydrophobicContact CB-CG1 4.42Å
484	V	91.6	Very high	91.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-44.3	176.4	176.1	0	0	0	0	110.8	F480 C481 N486 A487 C488 F533 V577 L580 L584	F480-V484 HydrophobicContact CD1-CG2 4.36Å; F480-V484 HydrophobicContact CD2-CG2 4.23Å; F480-V484 HydrophobicContact CE1-CG2 3.9Å; F480-V484 HydrophobicContact CE2-CG2 3.76Å; F480-V484 HydrophobicContact CZ-CG2 3.58Å; F480-V484 WeakPolarHBondContact O-CG2 3.42Å; F480-V484 PolarHBondContact O-N 3.37Å; C481-V484 PolarHBondContact O-N 3.22Å; V484-N486 VanDerWaalsContact C-N 3.33Å; V484-N486 PolarHBondContact O-N 2.81Å; V484-A487 PolarHBondContact O-N 3.25Å; V484-C488 PolarHBondContact O-N 2.97Å; V484-C488 PolarHBondContact O-SG 2.91Å; V484-F533 HydrophobicContact CB-CZ 4.3Å; V484-F533 HydrophobicContact CG1-CE1 4.36Å; V484-F533 HydrophobicContact CG1-CZ 3.78Å; V484-V577 HydrophobicContact CG2-CG1 4.14Å; V484-L580 HydrophobicContact CG1-CB 4.21Å; V484-L580 HydrophobicContact CG2-CD1 3.72Å; V484-L584 HydrophobicContact CG1-CD1 3.58Å
485	A	93.9	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-44.1	176.9	0	0	0	0	0	112.2	C481 K482 A487 C488 N489 M495 S496	C481-A485 WeakPolarHBondContact O-CB 3.46Å; C481-A485 PolarHBondContact O-N 3.44Å; K482-A485 PolarHBondContact O-N 2.91Å; A485-A487 PolarHBondContact O-N 2.94Å; A485-C488 WeakPolarHBondContact O-CB 3.23Å; A485-C488 PolarHBondContact O-N 3.43Å; A485-N489 WeakPolarHBondContact O-CB 3.41Å; A485-N489 PolarHBondContact O-N 3.49Å; A485-N489 PolarHBondContact O-ND2 3.16Å; A485-N489 VanDerWaalsContact O-ND2 3.1Å; A485-M495 HydrophobicContact CB-CB 4.26Å; A485-M495 HydrophobicContact CB-CG 3.88Å; A485-M495 HydrophobicContact CB-SD 4.01Å; A485-S496 WeakPolarHBondContact CB-O 3.01Å
486	N	92	Very high	92.5	Very high	58 Å²	58	40 Å²	40	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-45.9	175	-70.5	-11.7	0	0	0	111.8	K482 V484 C488 N489 E490	K482-N486 WeakPolarHBondContact O-CB 3.22Å; K482-N486 VanDerWaalsContact O-CG 3.23Å; K482-N486 PolarHBondContact O-N 2.76Å; V484-N486 VanDerWaalsContact C-N 3.33Å; V484-N486 PolarHBondContact O-N 2.81Å; N486-C488 VanDerWaalsContact C-N 3.34Å; N486-C488 PolarHBondContact O-N 2.9Å; N486-N489 PolarHBondContact O-N 3.12Å; N486-N489 VanDerWaalsContact O-N 3.16Å; N486-E490 WeakPolarHBondContact O-CG 3.5Å; N486-E490 PolarHBondContact O-N 3.03Å
487	A	90.4	Very high	92.7	Very high	13 Å²	13	42.9 Å²	42.9	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-38.8	176.9	0	0	0	0	0	112.5	N483 V484 A485 E490 M491 P581	N483-A487 PolarHBondContact O-N 3Å; N483-A487 VanDerWaalsContact O-N 3.07Å; V484-A487 PolarHBondContact O-N 3.25Å; A485-A487 PolarHBondContact O-N 2.94Å; A487-E490 PolarHBondContact O-N 3.29Å; A487-M491 PolarHBondContact O-N 3.1Å; A487-M491 VanDerWaalsContact O-N 3.17Å; A487-P581 HydrophobicContact CB-CG 3.73Å
488	C	93.6	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-46	172.2	-69.8	0	0	0	0	111.2	V484 A485 N486 M491 G492 M493 M495	V484-C488 PolarHBondContact O-N 2.97Å; V484-C488 PolarHBondContact O-SG 2.91Å; A485-C488 WeakPolarHBondContact O-CB 3.23Å; A485-C488 PolarHBondContact O-N 3.43Å; N486-C488 VanDerWaalsContact C-N 3.34Å; N486-C488 PolarHBondContact O-N 2.9Å; C488-M491 CarbonylContact O-C 3.54Å; C488-M491 PolarHBondContact O-N 2.91Å; C488-G492 PolarHBondContact O-N 3.15Å; C488-M493 HydrophobicContact CB-CB 3.98Å; C488-M493 HydrophobicContact CB-CG 4.32Å; C488-M493 HydrophobicContact CB-SD 3.74Å; C488-M493 VanDerWaalsContact O-CB 3.27Å; C488-M493 WeakPolarHBondContact O-CB 3.49Å; C488-M493 PolarHBondContact O-N 3.44Å; C488-M495 HydrophobicContact CB-CB 4.15Å; C488-M495 HydrophobicContact CB-SD 4.13Å
489	N	93.9	Very high	93.2	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-39.4	179.7	-69.5	-32.4	0	0	0	112.6	A485 N486 M491 G492 M493 M495	A485-N489 WeakPolarHBondContact O-CB 3.41Å; A485-N489 PolarHBondContact O-N 3.49Å; A485-N489 PolarHBondContact O-ND2 3.16Å; A485-N489 VanDerWaalsContact O-ND2 3.1Å; N486-N489 PolarHBondContact O-N 3.12Å; N486-N489 VanDerWaalsContact O-N 3.16Å; N489-M491 PolarHBondContact O-N 3.36Å; N489-G492 PolarHBondContact O-N 3.22Å; N489-M493 PolarHBondContact OD1-O 2.69Å; N489-M493 VanDerWaalsContact OD1-O 3.1Å; N489-M495 PolarHBondContact ND2-O 3.02Å; N489-M495 PolarHBondContact OD1-N 2.84Å; N489-M495 PolarHBondContact OD1-O 3.49Å
490	E	90.9	Very high	93.5	Very high	152 Å²	152	44.8 Å²	44.8	71%	0.71	23%	0.233	S	C	*	.	H	α-helix	trans	-59.5	-35.6	172.8	-74.6	170.7	-171.4	0	0	111.7	N486 A487 G492	N486-E490 WeakPolarHBondContact O-CG 3.5Å; N486-E490 PolarHBondContact O-N 3.03Å; A487-E490 PolarHBondContact O-N 3.29Å; E490-G492 PolarHBondContact O-N 3.27Å
491	M	92.2	Very high	93.9	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.138	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.2	175	-68.3	-167.3	172.7	0	0	114	M449 C453 L454 A487 C488 N489 P581 L582	M449-M491 HydrophobicContact CB-CE 4.3Å; C453-M491 VanDerWaalsContact CA-O 3.28Å; C453-M491 WeakPolarHBondContact CA-O 3.23Å; C453-M491 WeakPolarHBondContact CB-O 3.16Å; L454-M491 HydrophobicContact CD1-CB 4.21Å; L454-M491 HydrophobicContact CD2-CB 4.48Å; L454-M491 HydrophobicContact CD2-SD 4.31Å; L454-M491 HydrophobicContact CG-CB 4.04Å; L454-M491 PolarHBondContact N-O 2.9Å; A487-M491 PolarHBondContact O-N 3.1Å; A487-M491 VanDerWaalsContact O-N 3.17Å; C488-M491 CarbonylContact O-C 3.54Å; C488-M491 PolarHBondContact O-N 2.91Å; N489-M491 PolarHBondContact O-N 3.36Å; M491-P581 HydrophobicContact CG-CB 4.47Å; M491-P581 HydrophobicContact SD-CB 3.58Å; M491-P581 VanDerWaalsContact SD-CB 3.58Å; M491-P581 HydrophobicContact SD-CG 4.21Å; M491-L582 HydrophobicContact SD-CD2 4.46Å
492	G	93.4	Very high	94.1	Very high	28 Å²	28	48.6 Å²	48.6	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	1.2	173.6	0	0	0	0	0	115.6	P457 C488 N489 E490	P457-G492 WeakPolarHBondContact CB-O 3.46Å; P457-G492 VanDerWaalsContact CG-O 3.23Å; P457-G492 WeakPolarHBondContact CG-O 3.35Å; C488-G492 PolarHBondContact O-N 3.15Å; N489-G492 PolarHBondContact O-N 3.22Å; E490-G492 PolarHBondContact O-N 3.27Å
493	M	95.6	Very high	94.3	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.03	24%	0.241	C	C	.	.			trans	-65.6	167	168.4	-57.5	179.5	68.9	0	0	110.9	L454 P457 A458 C488 N489 L584 N585 L588	L454-M493 HydrophobicContact CD1-CG 3.8Å; L454-M493 HydrophobicContact CD1-SD 4.04Å; P457-M493 HydrophobicContact CB-CB 4.49Å; P457-M493 HydrophobicContact CB-CG 4.15Å; A458-M493 HydrophobicContact CB-CE 4.15Å; C488-M493 HydrophobicContact CB-CB 3.98Å; C488-M493 HydrophobicContact CB-CG 4.32Å; C488-M493 HydrophobicContact CB-SD 3.74Å; C488-M493 VanDerWaalsContact O-CB 3.27Å; C488-M493 WeakPolarHBondContact O-CB 3.49Å; C488-M493 PolarHBondContact O-N 3.44Å; N489-M493 PolarHBondContact OD1-O 2.69Å; N489-M493 VanDerWaalsContact OD1-O 3.1Å; M493-L584 HydrophobicContact CE-CB 4.42Å; M493-N585 HydrophobicContact CE-CB 4.1Å; M493-N585 HydrophobicContact SD-CB 3.85Å; M493-L588 HydrophobicContact CE-CD1 3.94Å
494	R	96.4	Very high	94.6	Very high	191 Å²	191	46 Å²	46	72%	0.721	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	91.8	171.8	-68.3	-176.6	-169.4	-169.6	3.8	108.8	A458 N459 C460	A458-R494 PolarHBondContact O-N 2.95Å; N459-R494 WeakPolarHBondContact OD1-CB 3.33Å; N459-R494 PolarHBondContact OD1-O 3.25Å; C460-R494 CarbonylContact C-O 3.55Å; C460-R494 PolarHBondContact N-O 3.29Å
495	M	96.7	Very high	94.8	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.044	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.3	-179.6	-166.2	168.6	-174.1	0	0	110.7	C460 Y463 A485 C488 N489 T497 L531 F533	C460-M495 HydrophobicContact CB-CG 4.15Å; C460-M495 VanDerWaalsContact O-CA 3.29Å; C460-M495 WeakPolarHBondContact O-CA 3.46Å; Y463-M495 HydrophobicContact CD1-CE 3.75Å; Y463-M495 HydrophobicContact CD1-CG 4.45Å; Y463-M495 HydrophobicContact CD2-CE 3.85Å; Y463-M495 HydrophobicContact CE1-CE 3.8Å; Y463-M495 HydrophobicContact CE1-CG 4.29Å; Y463-M495 HydrophobicContact CE2-CE 3.84Å; Y463-M495 HydrophobicContact CG-CE 3.78Å; A485-M495 HydrophobicContact CB-CB 4.26Å; A485-M495 HydrophobicContact CB-CG 3.88Å; A485-M495 HydrophobicContact CB-SD 4.01Å; C488-M495 HydrophobicContact CB-CB 4.15Å; C488-M495 HydrophobicContact CB-SD 4.13Å; N489-M495 PolarHBondContact ND2-O 3.02Å; N489-M495 PolarHBondContact OD1-N 2.84Å; N489-M495 PolarHBondContact OD1-O 3.49Å; M495-T497 PolarHBondContact O-N 3.48Å; M495-L531 HydrophobicContact CE-CD2 3.88Å; M495-F533 HydrophobicContact CE-CE2 3.64Å; M495-F533 HydrophobicContact CE-CZ 4.04Å
496	S	96.4	Very high	94.7	Very high	45 Å²	45	50.3 Å²	50.3	32%	0.315	28%	0.281	S	S	.	.			trans	-58.1	138.9	173.7	-74.4	0	0	0	0	110.5	C460 S461 Y463 A485 N498	C460-S496 PolarHBondContact O-N 3.04Å; S461-S496 WeakPolarHBondContact O-CB 3.32Å; S461-S496 PolarHBondContact O-OG 3.11Å; Y463-S496 WeakPolarHBondContact CE1-O 3.33Å; Y463-S496 PolarHBondContact OH-O 3.12Å; A485-S496 WeakPolarHBondContact CB-O 3.01Å; S496-N498 VanDerWaalsContact C-N 3.25Å; S496-N498 PolarHBondContact O-N 3.01Å
497	T	92.6	Very high	94.6	Very high	60 Å²	60	50.5 Å²	50.5	37%	0.368	28%	0.282	S	S	.	.	S	Bend	trans	-66.5	-27.5	-175.3	-54.6	0	0	0	0	113.1	K482 M495	K482-T497 VanDerWaalsContact CA-O 3.3Å; K482-T497 WeakPolarHBondContact CA-O 3.27Å; K482-T497 HydrophobicContact CD-CG2 4.2Å; K482-T497 HydrophobicContact CG-CG2 3.82Å; M495-T497 PolarHBondContact O-N 3.48Å
498	N	95.9	Very high	94.5	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	29%	0.288	S	S	.	.	S	Bend	trans	-123.6	146.8	-178.8	-58	-55.2	0	0	0	110.1	Y463 S496	Y463-N498 WeakPolarHBondContact CE1-O 3.29Å; Y463-N498 VanDerWaalsContact OH-C 3.26Å; S496-N498 VanDerWaalsContact C-N 3.25Å; S496-N498 PolarHBondContact O-N 3.01Å
499	A	96.9	Very high	94.2	Very high	21 Å²	21	60 Å²	60	17%	0.174	32%	0.324	C	S	.	.			trans	-69.2	140	167.8	0	0	0	0	0	109.7	Y463 M501 V502	Y463-A499 HydrophobicContact CD2-CB 4.08Å; Y463-A499 HydrophobicContact CE2-CB 3.61Å; Y463-A499 WeakPolarHBondContact O-CA 3.45Å; Y463-A499 PolarHBondContact OH-N 2.73Å; A499-M501 VanDerWaalsContact C-N 3.29Å; A499-M501 PolarHBondContact O-N 3.09Å; A499-V502 HydrophobicContact CB-CG2 4.12Å
500	D	98	Very high	94.3	Very high	65 Å²	65	59.9 Å²	59.9	35%	0.348	32%	0.324	S	S	.	.	S	Bend	trans	-67	-33.9	178.9	-68.1	-45.9	0	0	0	111.7	Y463 Y522	Y463-D500 PolarHBondContact O-N 2.61Å; D500-Y522 WeakPolarHBondContact CB-OH 3.21Å; D500-Y522 VanDerWaalsContact OD2-CE1 3.25Å; D500-Y522 WeakPolarHBondContact OD2-CE1 3.36Å; D500-Y522 VanDerWaalsContact OD2-CZ 3.24Å; D500-Y522 PolarHBondContact OD2-OH 3.14Å
501	M	97.6	Very high	94.5	Very high	38 Å²	38	52.7 Å²	52.7	19%	0.187	29%	0.29	C	S	.	.			trans	-140.7	146.4	178.4	-55.9	176	72.7	0	0	110.9	S464 A465 A499 I503 L517 V518 V521	S464-M501 CarbonylContact C-O 3.5Å; S464-M501 WeakPolarHBondContact CA-O 3.45Å; S464-M501 PolarHBondContact OG-N 2.72Å; A465-M501 PolarHBondContact N-O 2.75Å; A499-M501 VanDerWaalsContact C-N 3.29Å; A499-M501 PolarHBondContact O-N 3.09Å; M501-I503 HydrophobicContact CB-CG1 4.46Å; M501-I503 HydrophobicContact CE-CD1 3.88Å; M501-I503 HydrophobicContact CE-CG1 4.42Å; M501-L517 HydrophobicContact CE-CG 4.36Å; M501-V518 HydrophobicContact SD-CG2 4.25Å; M501-V521 HydrophobicContact CE-CB 4.41Å; M501-V521 HydrophobicContact CE-CG2 4.05Å; M501-V521 HydrophobicContact SD-CB 3.91Å; M501-V521 HydrophobicContact SD-CG1 3.81Å; M501-V521 HydrophobicContact SD-CG2 4.22Å
502	V	96.5	Very high	94.6	Very high	43 Å²	43	54.4 Å²	54.4	26%	0.261	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	107.5	168.9	-176.4	0	0	0	0	109.2	A465 L474 V477 V478 A499	A465-V502 HydrophobicContact CB-CG1 4.33Å; A465-V502 HydrophobicContact CB-CG2 4.18Å; A465-V502 CarbonylContact O-C 3.5Å; A465-V502 VanDerWaalsContact O-CA 3.27Å; A465-V502 WeakPolarHBondContact O-CA 3.39Å; L474-V502 HydrophobicContact CD2-CG1 4.29Å; V477-V502 HydrophobicContact CB-CG1 4.42Å; V477-V502 HydrophobicContact CG1-CG1 4.17Å; V478-V502 HydrophobicContact CG2-CB 4.49Å; V478-V502 HydrophobicContact CG2-CG2 3.94Å; A499-V502 HydrophobicContact CB-CG2 4.12Å
503	I	96.9	Very high	94.7	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.4	-171.7	-53.6	-177.9	0	0	0	110.8	A465 I466 S467 M501 W513 A514 L517 V518	A465-I503 PolarHBondContact O-N 2.83Å; I466-I503 CarbonylContact C-O 3.54Å; I466-I503 WeakPolarHBondContact CA-O 3.4Å; S467-I503 PolarHBondContact N-O 3.25Å; M501-I503 HydrophobicContact CB-CG1 4.46Å; M501-I503 HydrophobicContact CE-CD1 3.88Å; M501-I503 HydrophobicContact CE-CG1 4.42Å; I503-W513 HydrophobicContact CG2-CH2 4.38Å; I503-W513 HydrophobicContact CG2-CZ3 3.86Å; I503-A514 HydrophobicContact CB-CB 4.48Å; I503-A514 HydrophobicContact CD1-CB 4.47Å; I503-A514 HydrophobicContact CG2-CB 3.95Å; I503-L517 HydrophobicContact CD1-CD2 3.97Å; I503-L517 HydrophobicContact CD1-CG 4.34Å; I503-V518 HydrophobicContact CD1-CG2 3.55Å; I503-V518 HydrophobicContact CG1-CG2 4.48Å
504	P	96	Very high	94.8	Very high	41 Å²	41	59.6 Å²	59.6	27%	0.266	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.7	169.9	29.3	-30.9	0	0	0	111.8	S467 R471 L474	S467-P504 WeakPolarHBondContact O-CA 3.08Å; R471-P504 HydrophobicContact CG-CB 4.24Å; R471-P504 HydrophobicContact CG-CG 4.43Å; L474-P504 HydrophobicContact CD1-CB 3.99Å; L474-P504 HydrophobicContact CD1-CG 3.99Å; L474-P504 HydrophobicContact CD2-CB 4.15Å
505	V	96.3	Very high	94.9	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.055	27%	0.274	C	S	.	.			trans	-129	143.9	174.9	-67.6	0	0	0	0	110.3	I466 S467 F468 D510 A514	I466-V505 HydrophobicContact CG2-CB 4.33Å; I466-V505 HydrophobicContact CG2-CG1 3.74Å; I466-V505 HydrophobicContact CG2-CG2 3.58Å; S467-V505 PolarHBondContact O-N 2.95Å; F468-V505 WeakPolarHBondContact CA-O 3.46Å; F468-V505 HydrophobicContact CD1-CG2 3.69Å; F468-V505 HydrophobicContact CD2-CG2 3.98Å; F468-V505 HydrophobicContact CE1-CG2 3.74Å; F468-V505 HydrophobicContact CE2-CG2 4Å; F468-V505 HydrophobicContact CG-CG2 3.83Å; F468-V505 HydrophobicContact CZ-CG2 3.9Å; V505-D510 HydrophobicContact CB-CB 3.83Å; V505-D510 HydrophobicContact CG1-CB 3.94Å; V505-D510 WeakPolarHBondContact CG1-O 3.42Å; V505-A514 HydrophobicContact CG1-CB 3.58Å
506	A	91.1	Very high	94.9	Very high	83 Å²	83	53.5 Å²	53.5	69%	0.686	29%	0.29	S	S	*	.	S	Bend	trans	-93	-30.7	-179.5	0	0	0	0	0	112.4	D510	A506-D510 WeakPolarHBondContact CB-OD2 3.19Å; A506-D510 PolarHBondContact N-OD2 2.84Å
507	N	90.4	Very high	95	Very high	62 Å²	62	54.2 Å²	54.2	33%	0.332	29%	0.29	S	S	.	.	S	Bend	trans	-149.3	177.4	-173.6	67.1	69.3	0	0	0	111.8	F468 K509 D510 L511	F468-N507 WeakPolarHBondContact CE1-O 3.35Å; N507-K509 VanDerWaalsContact C-N 3.34Å; N507-K509 PolarHBondContact O-N 2.94Å; N507-K509 WeakPolarHBondContact OD1-CA 3.45Å; N507-K509 VanDerWaalsContact OD1-CB 3.25Å; N507-K509 WeakPolarHBondContact OD1-CB 3.18Å; N507-K509 PolarHBondContact OD1-N 3.04Å; N507-D510 PolarHBondContact N-OD2 3.24Å; N507-D510 PolarHBondContact ND2-OD1 2.99Å; N507-D510 VanDerWaalsContact ND2-OD1 3.07Å; N507-D510 PolarHBondContact ND2-OD2 3.39Å; N507-D510 PolarHBondContact O-N 3.31Å; N507-D510 PolarHBondContact OD1-N 3.41Å; N507-D510 VanDerWaalsContact OD1-N 3.09Å; N507-D510 PolarHBondContact OD1-OD1 2.96Å; N507-L511 PolarHBondContact O-N 3.01Å
508	T	87.6	Confident	95.2	Very high	40 Å²	40	51.3 Å²	51.3	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-70.8	-23.5	-175.9	52.2	0	0	0	0	114.1	L511 A544	T508-L511 WeakPolarHBondContact O-CB 3.3Å; T508-L511 PolarHBondContact O-N 3.15Å; T508-A544 HydrophobicContact CG2-CB 3.45Å; T508-A544 VanDerWaalsContact CG2-CB 3.45Å
509	K	87.6	Confident	95.3	Very high	172 Å²	172	48.9 Å²	48.9	75%	0.748	26%	0.259	S	S	*	.	H	α-helix	trans	-70.9	-41.2	172.5	-59.1	-176.5	175.9	-175.3	0	110.8	N507 L511 E512 W513	N507-K509 VanDerWaalsContact C-N 3.34Å; N507-K509 PolarHBondContact O-N 2.94Å; N507-K509 WeakPolarHBondContact OD1-CA 3.45Å; N507-K509 VanDerWaalsContact OD1-CB 3.25Å; N507-K509 WeakPolarHBondContact OD1-CB 3.18Å; N507-K509 PolarHBondContact OD1-N 3.04Å; K509-L511 PolarHBondContact O-N 2.94Å; K509-E512 PolarHBondContact O-N 3.21Å; K509-W513 PolarHBondContact O-N 3.3Å
510	D	94.7	Very high	95.4	Very high	54 Å²	54	51.2 Å²	51.2	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-27.5	175.8	-55.7	-10.7	0	0	0	112.1	V505 A506 N507 A514	V505-D510 HydrophobicContact CB-CB 3.83Å; V505-D510 HydrophobicContact CG1-CB 3.94Å; V505-D510 WeakPolarHBondContact CG1-O 3.42Å; A506-D510 WeakPolarHBondContact CB-OD2 3.19Å; A506-D510 PolarHBondContact N-OD2 2.84Å; N507-D510 PolarHBondContact N-OD2 3.24Å; N507-D510 PolarHBondContact ND2-OD1 2.99Å; N507-D510 VanDerWaalsContact ND2-OD1 3.07Å; N507-D510 PolarHBondContact ND2-OD2 3.39Å; N507-D510 PolarHBondContact O-N 3.31Å; N507-D510 PolarHBondContact OD1-N 3.41Å; N507-D510 VanDerWaalsContact OD1-N 3.09Å; N507-D510 PolarHBondContact OD1-OD1 2.96Å; D510-A514 VanDerWaalsContact O-CB 3.3Å; D510-A514 WeakPolarHBondContact O-CB 3.4Å; D510-A514 PolarHBondContact O-N 3.07Å
511	L	95.6	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.9	170.4	67	0	0	0	112.1	I466 F468 N507 T508 K509 A514 I515 V534 A544 A545 I548	I466-L511 HydrophobicContact CB-CD1 4.47Å; I466-L511 HydrophobicContact CD1-CD1 4.1Å; I466-L511 HydrophobicContact CG2-CD1 3.81Å; F468-L511 HydrophobicContact CE2-CD1 4.33Å; F468-L511 HydrophobicContact CE2-CD2 4.11Å; F468-L511 HydrophobicContact CZ-CB 3.87Å; F468-L511 HydrophobicContact CZ-CD1 4.46Å; F468-L511 HydrophobicContact CZ-CD2 3.86Å; F468-L511 HydrophobicContact CZ-CG 4.29Å; N507-L511 PolarHBondContact O-N 3.01Å; T508-L511 WeakPolarHBondContact O-CB 3.3Å; T508-L511 PolarHBondContact O-N 3.15Å; K509-L511 PolarHBondContact O-N 2.94Å; L511-A514 PolarHBondContact O-N 2.91Å; L511-I515 HydrophobicContact CD1-CD1 4.08Å; L511-I515 HydrophobicContact CD1-CG1 4.32Å; L511-I515 HydrophobicContact CG-CD1 4.25Å; L511-I515 WeakPolarHBondContact O-CG1 3.39Å; L511-I515 PolarHBondContact O-N 2.82Å; L511-V534 HydrophobicContact CD1-CG1 4.48Å; L511-A544 HydrophobicContact CD2-CB 4.21Å; L511-A545 HydrophobicContact CD2-CB 4.01Å; L511-I548 HydrophobicContact CD2-CD1 3.9Å; L511-I548 HydrophobicContact CG-CD1 4.2Å
512	E	94.2	Very high	95.4	Very high	65 Å²	65	47.7 Å²	47.7	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-48.1	176.7	-174.7	158.1	-167.5	0	0	110.7	K509 A514 I515 D516 I548 K552 Y553	K509-E512 PolarHBondContact O-N 3.21Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 2.77Å; E512-I515 PolarHBondContact O-N 3.49Å; E512-D516 PolarHBondContact O-N 2.92Å; E512-I548 HydrophobicContact CB-CD1 4.27Å; E512-I548 HydrophobicContact CB-CG2 4.35Å; E512-I548 HydrophobicContact CG-CG2 4.32Å; E512-K552 WeakPolarHBondContact OE1-CD 3.27Å; E512-K552 IonicContact OE1-NZ 3.45Å; E512-K552 PolarHBondContact OE1-NZ 2.79Å; E512-K552 IonicContact OE2-NZ 2.85Å; E512-K552 PolarHBondContact OE2-NZ 2.91Å; E512-Y553 HydrophobicContact CG-CE2 4.06Å
513	W	95.9	Very high	95.4	Very high	143 Å²	143	53.4 Å²	53.4	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-55.6	-42	172.2	166.5	80	0	0	0	112.8	I503 K509 D516 L517	I503-W513 HydrophobicContact CG2-CH2 4.38Å; I503-W513 HydrophobicContact CG2-CZ3 3.86Å; K509-W513 PolarHBondContact O-N 3.3Å; W513-D516 PolarHBondContact O-N 2.87Å; W513-L517 HydrophobicContact CH2-CD2 3.68Å; W513-L517 HydrophobicContact CZ2-CD2 3.54Å; W513-L517 HydrophobicContact CZ3-CD2 4.46Å; W513-L517 WeakPolarHBondContact O-CB 3.42Å; W513-L517 PolarHBondContact O-N 2.87Å
514	A	98.1	Very high	95.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-37.2	-179	0	0	0	0	0	112.3	I466 I503 V505 D510 L511 E512 V518	I466-A514 HydrophobicContact CD1-CB 3.79Å; I466-A514 HydrophobicContact CG1-CB 4.19Å; I466-A514 HydrophobicContact CG2-CB 4.22Å; I503-A514 HydrophobicContact CB-CB 4.48Å; I503-A514 HydrophobicContact CD1-CB 4.47Å; I503-A514 HydrophobicContact CG2-CB 3.95Å; V505-A514 HydrophobicContact CG1-CB 3.58Å; D510-A514 VanDerWaalsContact O-CB 3.3Å; D510-A514 WeakPolarHBondContact O-CB 3.4Å; D510-A514 PolarHBondContact O-N 3.07Å; L511-A514 PolarHBondContact O-N 2.91Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 2.77Å; A514-V518 VanDerWaalsContact O-CG2 3.24Å; A514-V518 WeakPolarHBondContact O-CG2 3.42Å; A514-V518 PolarHBondContact O-N 2.84Å
515	I	98.1	Very high	95.5	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-46.2	174.2	-69.6	170	0	0	0	109.9	I466 L511 E512 L517 V518 L519 I532 I548 Y553 I555	I466-I515 HydrophobicContact CD1-CG1 3.58Å; L511-I515 HydrophobicContact CD1-CD1 4.08Å; L511-I515 HydrophobicContact CD1-CG1 4.32Å; L511-I515 HydrophobicContact CG-CD1 4.25Å; L511-I515 WeakPolarHBondContact O-CG1 3.39Å; L511-I515 PolarHBondContact O-N 2.82Å; E512-I515 PolarHBondContact O-N 3.49Å; I515-L517 PolarHBondContact O-N 2.88Å; I515-V518 PolarHBondContact O-N 3.04Å; I515-L519 HydrophobicContact CG2-CD1 3.89Å; I515-L519 HydrophobicContact CG2-CG 4.37Å; I515-L519 WeakPolarHBondContact O-CG 3.24Å; I515-L519 PolarHBondContact O-N 2.84Å; I515-I532 HydrophobicContact CG1-CD1 4.38Å; I515-I548 HydrophobicContact CD1-CB 4.38Å; I515-I548 HydrophobicContact CD1-CG2 3.73Å; I515-Y553 HydrophobicContact CB-CE2 4.47Å; I515-Y553 HydrophobicContact CG2-CD1 3.87Å; I515-Y553 HydrophobicContact CG2-CD2 3.75Å; I515-Y553 HydrophobicContact CG2-CE1 4.12Å; I515-Y553 HydrophobicContact CG2-CE2 4.04Å; I515-Y553 HydrophobicContact CG2-CG 3.65Å; I515-I555 HydrophobicContact CG2-CG2 4.24Å
516	D	96.6	Very high	95.5	Very high	71 Å²	71	68.7 Å²	68.7	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-55.7	-51.5	176.7	-163.7	66.7	0	0	0	111.6	E512 W513 V518 L519 D520 Y553	E512-D516 PolarHBondContact O-N 2.92Å; W513-D516 PolarHBondContact O-N 2.87Å; D516-V518 PolarHBondContact O-N 2.85Å; D516-L519 PolarHBondContact O-N 3.31Å; D516-D520 WeakPolarHBondContact O-CB 3.22Å; D516-D520 PolarHBondContact O-N 2.93Å; D516-Y553 HydrophobicContact CB-CE1 4.44Å
517	L	97.8	Very high	95.7	Very high	59 Å²	59	67.7 Å²	67.7	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-44.4	177.2	175.7	60.7	0	0	0	112.5	M501 I503 W513 I515 V521	M501-L517 HydrophobicContact CE-CG 4.36Å; I503-L517 HydrophobicContact CD1-CD2 3.97Å; I503-L517 HydrophobicContact CD1-CG 4.34Å; W513-L517 HydrophobicContact CH2-CD2 3.68Å; W513-L517 HydrophobicContact CZ2-CD2 3.54Å; W513-L517 HydrophobicContact CZ3-CD2 4.46Å; W513-L517 WeakPolarHBondContact O-CB 3.42Å; W513-L517 PolarHBondContact O-N 2.87Å; I515-L517 PolarHBondContact O-N 2.88Å; L517-V521 HydrophobicContact CD1-CG2 4.06Å; L517-V521 WeakPolarHBondContact O-CB 3.35Å; L517-V521 VanDerWaalsContact O-CG2 3.26Å; L517-V521 WeakPolarHBondContact O-CG2 3.45Å; L517-V521 PolarHBondContact O-N 2.81Å
518	V	98.2	Very high	96	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-52.3	177.4	167.4	0	0	0	0	109.8	M501 I503 A514 I515 D516 D520 V521 Y522 I532	M501-V518 HydrophobicContact SD-CG2 4.25Å; I503-V518 HydrophobicContact CD1-CG2 3.55Å; I503-V518 HydrophobicContact CG1-CG2 4.48Å; A514-V518 VanDerWaalsContact O-CG2 3.24Å; A514-V518 WeakPolarHBondContact O-CG2 3.42Å; A514-V518 PolarHBondContact O-N 2.84Å; I515-V518 PolarHBondContact O-N 3.04Å; D516-V518 PolarHBondContact O-N 2.85Å; V518-D520 VanDerWaalsContact C-N 3.34Å; V518-D520 PolarHBondContact O-N 3.22Å; V518-V521 PolarHBondContact O-N 3.45Å; V518-Y522 HydrophobicContact CG1-CD2 3.72Å; V518-Y522 HydrophobicContact CG1-CE2 3.62Å; V518-Y522 WeakPolarHBondContact O-CD2 3.47Å; V518-Y522 PolarHBondContact O-N 3.22Å; V518-I532 HydrophobicContact CB-CD1 4.48Å; V518-I532 HydrophobicContact CG1-CD1 4.04Å; V518-I532 HydrophobicContact CG1-CG1 4.46Å
519	L	97.6	Very high	96.4	Very high	44 Å²	44	68.3 Å²	68.3	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-38.6	-176.4	-65.5	177.4	0	0	0	112.2	I515 D516 Y522 K523 C529 Y553 I555	I515-L519 HydrophobicContact CG2-CD1 3.89Å; I515-L519 HydrophobicContact CG2-CG 4.37Å; I515-L519 WeakPolarHBondContact O-CG 3.24Å; I515-L519 PolarHBondContact O-N 2.84Å; D516-L519 PolarHBondContact O-N 3.31Å; L519-Y522 PolarHBondContact O-N 2.73Å; L519-K523 WeakPolarHBondContact O-CB 3.45Å; L519-K523 PolarHBondContact O-N 2.85Å; L519-C529 HydrophobicContact CD2-CB 3.83Å; L519-Y553 HydrophobicContact CD1-CD1 3.42Å; L519-Y553 VanDerWaalsContact CD1-CD1 3.42Å; L519-Y553 HydrophobicContact CD1-CE1 4.14Å; L519-Y553 HydrophobicContact CD1-CG 4.11Å; L519-I555 HydrophobicContact CD2-CD1 4.48Å; L519-I555 HydrophobicContact CD2-CG1 4.48Å
520	D	97.9	Very high	96.9	Very high	70 Å²	70	62.6 Å²	62.6	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.3	-92.6	-0.3	0	0	0	112.4	D516 V518 K523 Q524	D516-D520 WeakPolarHBondContact O-CB 3.22Å; D516-D520 PolarHBondContact O-N 2.93Å; V518-D520 VanDerWaalsContact C-N 3.34Å; V518-D520 PolarHBondContact O-N 3.22Å; D520-K523 PolarHBondContact O-N 2.98Å; D520-Q524 WeakPolarHBondContact O-CB 3.31Å; D520-Q524 VanDerWaalsContact O-CG 3.27Å; D520-Q524 WeakPolarHBondContact O-CG 3.39Å; D520-Q524 PolarHBondContact O-N 3.49Å
521	V	98.2	Very high	97.1	Very high	26 Å²	26	60 Å²	60	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-42	175.9	170.8	0	0	0	0	111.3	M501 L517 V518 R525	M501-V521 HydrophobicContact CE-CB 4.41Å; M501-V521 HydrophobicContact CE-CG2 4.05Å; M501-V521 HydrophobicContact SD-CB 3.91Å; M501-V521 HydrophobicContact SD-CG1 3.81Å; M501-V521 HydrophobicContact SD-CG2 4.22Å; L517-V521 HydrophobicContact CD1-CG2 4.06Å; L517-V521 WeakPolarHBondContact O-CB 3.35Å; L517-V521 VanDerWaalsContact O-CG2 3.26Å; L517-V521 WeakPolarHBondContact O-CG2 3.45Å; L517-V521 PolarHBondContact O-N 2.81Å; V518-V521 PolarHBondContact O-N 3.45Å; V521-R525 VanDerWaalsContact O-CG 3.3Å; V521-R525 WeakPolarHBondContact O-CG 3.38Å; V521-R525 PolarHBondContact O-N 3Å
522	Y	98.2	Very high	97.2	Very high	4 Å²	4	60 Å²	60	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-46.1	174.2	-84.4	-76.2	0	0	0	111.6	N462 Y463 S464 D500 V518 L519 Q524 R525 G526 M527 C529	N462-Y522 HydrophobicContact CB-CD1 4.4Å; N462-Y522 HydrophobicContact CB-CE1 3.67Å; Y463-Y522 WeakPolarHBondContact CA-OH 2.93Å; Y463-Y522 PolarHBondContact N-OH 3.14Å; Y463-Y522 VanDerWaalsContact N-OH 3.15Å; Y463-Y522 PolarHBondContact O-OH 2.74Å; Y463-Y522 VanDerWaalsContact O-OH 3.09Å; S464-Y522 WeakPolarHBondContact OG-CE2 3.42Å; S464-Y522 PolarHBondContact OG-OH 3.09Å; D500-Y522 WeakPolarHBondContact CB-OH 3.21Å; D500-Y522 VanDerWaalsContact OD2-CE1 3.25Å; D500-Y522 WeakPolarHBondContact OD2-CE1 3.36Å; D500-Y522 VanDerWaalsContact OD2-CZ 3.24Å; D500-Y522 PolarHBondContact OD2-OH 3.14Å; V518-Y522 HydrophobicContact CG1-CD2 3.72Å; V518-Y522 HydrophobicContact CG1-CE2 3.62Å; V518-Y522 WeakPolarHBondContact O-CD2 3.47Å; V518-Y522 PolarHBondContact O-N 3.22Å; L519-Y522 PolarHBondContact O-N 2.73Å; Y522-Q524 PolarHBondContact O-N 2.99Å; Y522-R525 CarbonylContact O-C 3.55Å; Y522-R525 PolarHBondContact O-N 3.05Å; Y522-R525 VanDerWaalsContact O-N 3.1Å; Y522-G526 PolarHBondContact O-N 3.02Å; Y522-M527 CarbonylContact C-O 3.33Å; Y522-M527 HydrophobicContact CD1-CB 3.74Å; Y522-M527 HydrophobicContact CD1-CE 3.83Å; Y522-M527 HydrophobicContact CE1-CE 3.94Å; Y522-M527 PolarHBondContact O-N 3.47Å; Y522-M527 VanDerWaalsContact O-O 3.1Å; Y522-C529 HydrophobicContact CD1-CB 4.41Å; Y522-C529 HydrophobicContact CD2-CB 3.44Å; Y522-C529 VanDerWaalsContact CD2-CB 3.44Å; Y522-C529 HydrophobicContact CE2-CB 3.59Å; Y522-C529 WeakPolarHBondContact CE2-SG 3.32Å; Y522-C529 HydrophobicContact CG-CB 3.89Å
523	K	97.2	Very high	97.3	Very high	163 Å²	163	57.1 Å²	57.1	71%	0.709	29%	0.29	S	S	*	.	H	α-helix	trans	-59.8	-45.1	178.3	-176.8	-178.9	177	-175.5	0	112.1	L519 D520 R525 G526	L519-K523 WeakPolarHBondContact O-CB 3.45Å; L519-K523 PolarHBondContact O-N 2.85Å; D520-K523 PolarHBondContact O-N 2.98Å; K523-R525 PolarHBondContact O-N 3.33Å; K523-G526 PolarHBondContact O-N 2.91Å
524	Q	97.7	Very high	97.4	Very high	159 Å²	159	50.3 Å²	50.3	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-62.4	-29.6	176.6	-73.8	175.6	16.1	0	0	112.7	D520 Y522 G526	D520-Q524 WeakPolarHBondContact O-CB 3.31Å; D520-Q524 VanDerWaalsContact O-CG 3.27Å; D520-Q524 WeakPolarHBondContact O-CG 3.39Å; D520-Q524 PolarHBondContact O-N 3.49Å; Y522-Q524 PolarHBondContact O-N 2.99Å; Q524-G526 VanDerWaalsContact C-N 3.32Å
525	R	96.6	Very high	97.2	Very high	152 Å²	152	50.4 Å²	50.4	57%	0.574	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.5	175.9	-66.9	176.9	-178.2	-171.2	2.8	113.6	V521 Y522 K523 M527	V521-R525 VanDerWaalsContact O-CG 3.3Å; V521-R525 WeakPolarHBondContact O-CG 3.38Å; V521-R525 PolarHBondContact O-N 3Å; Y522-R525 CarbonylContact O-C 3.55Å; Y522-R525 PolarHBondContact O-N 3.05Å; Y522-R525 VanDerWaalsContact O-N 3.1Å; K523-R525 PolarHBondContact O-N 3.33Å; R525-M527 HydrophobicContact CB-CE 3.79Å; R525-M527 HydrophobicContact CB-CG 4.21Å; R525-M527 HydrophobicContact CG-CE 4.36Å; R525-M527 PolarHBondContact O-N 2.93Å
526	G	96.3	Very high	97	Very high	74 Å²	74	50.6 Å²	50.6	76%	0.763	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	26.5	-175.4	0	0	0	0	0	113.5	Y522 K523 Q524	Y522-G526 PolarHBondContact O-N 3.02Å; K523-G526 PolarHBondContact O-N 2.91Å; Q524-G526 VanDerWaalsContact C-N 3.32Å
527	M	96.1	Very high	96.7	Very high	62 Å²	62	51.3 Å²	51.3	31%	0.305	27%	0.269	S	S	.	.			trans	-114.7	164.7	-179	-63.9	-169.8	-52.6	0	0	110.6	N462 Y522 R525	N462-M527 PolarHBondContact ND2-SD 3.23Å; N462-M527 VanDerWaalsContact ND2-SD 3.39Å; Y522-M527 CarbonylContact C-O 3.33Å; Y522-M527 HydrophobicContact CD1-CB 3.74Å; Y522-M527 HydrophobicContact CD1-CE 3.83Å; Y522-M527 HydrophobicContact CE1-CE 3.94Å; Y522-M527 PolarHBondContact O-N 3.47Å; Y522-M527 VanDerWaalsContact O-O 3.1Å; R525-M527 HydrophobicContact CB-CE 3.79Å; R525-M527 HydrophobicContact CB-CG 4.21Å; R525-M527 HydrophobicContact CG-CE 4.36Å; R525-M527 PolarHBondContact O-N 2.93Å
528	T	95	Very high	96.1	Very high	107 Å²	107	51.1 Å²	51.1	66%	0.656	27%	0.272	S	S	*	.			trans	-115.4	131.4	173.9	-59.7	0	0	0	0	109.3	N462 E530	N462-T528 WeakPolarHBondContact CB-O 3.25Å; T528-E530 PolarHBondContact O-N 2.79Å
529	C	97.5	Very high	95.5	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.061	30%	0.303	C	S	.	.			trans	-74.5	122.6	169.9	-168	0	0	0	0	109.1	L519 Y522 I555	L519-C529 HydrophobicContact CD2-CB 3.83Å; Y522-C529 HydrophobicContact CD1-CB 4.41Å; Y522-C529 HydrophobicContact CD2-CB 3.44Å; Y522-C529 VanDerWaalsContact CD2-CB 3.44Å; Y522-C529 HydrophobicContact CE2-CB 3.59Å; Y522-C529 WeakPolarHBondContact CE2-SG 3.32Å; Y522-C529 HydrophobicContact CG-CB 3.89Å; C529-I555 HydrophobicContact CB-CD1 4.09Å; C529-I555 WeakPolarHBondContact O-CD1 3.48Å
530	E	97.1	Very high	95	Very high	52 Å²	52	59 Å²	59	24%	0.243	32%	0.315	C	S	.	.			trans	-95.1	-26.8	179.9	-64.9	166.1	127.1	0	0	112.1	C460 S461 N462 T528 T556	C460-E530 WeakPolarHBondContact CA-OE2 3.34Å; S461-E530 PolarHBondContact N-OE2 3.45Å; N462-E530 PolarHBondContact N-OE2 3.44Å; N462-E530 WeakPolarHBondContact O-CB 3.46Å; N462-E530 PolarHBondContact O-N 2.85Å; T528-E530 PolarHBondContact O-N 2.79Å; E530-T556 WeakPolarHBondContact O-CB 3.37Å
531	L	98.3	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	142.5	-175.6	176.5	69.1	0	0	0	112.3	Y463 S464 M495 F533 T556 C558 L584	Y463-L531 VanDerWaalsContact CA-O 3.22Å; Y463-L531 WeakPolarHBondContact CA-O 3.48Å; Y463-L531 VanDerWaalsContact CB-O 3.25Å; Y463-L531 WeakPolarHBondContact CB-O 3.48Å; S464-L531 PolarHBondContact N-O 3.12Å; M495-L531 HydrophobicContact CE-CD2 3.88Å; L531-F533 HydrophobicContact CD2-CD2 4.36Å; L531-F533 HydrophobicContact CD2-CE1 4.45Å; L531-F533 HydrophobicContact CD2-CE2 3.88Å; L531-F533 HydrophobicContact CD2-CZ 3.91Å; L531-T556 WeakPolarHBondContact CA-O 3.37Å; L531-T556 HydrophobicContact CD1-CG2 3.88Å; L531-C558 HydrophobicContact CD1-CB 4.06Å; L531-L584 HydrophobicContact CD1-CD2 4.12Å; L531-L584 HydrophobicContact CD2-CD2 3.81Å
532	I	98.6	Very high	94.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.5	165.3	-57.8	177.4	0	0	0	110.3	S464 I466 I515 V518 V534 I555 T556 T557 C558	S464-I532 CarbonylContact O-C 3.57Å; S464-I532 WeakPolarHBondContact O-CA 3.3Å; I466-I532 HydrophobicContact CB-CG2 4.38Å; I466-I532 HydrophobicContact CD1-CG2 3.9Å; I466-I532 HydrophobicContact CG1-CG2 3.89Å; I515-I532 HydrophobicContact CG1-CD1 4.38Å; V518-I532 HydrophobicContact CB-CD1 4.48Å; V518-I532 HydrophobicContact CG1-CD1 4.04Å; V518-I532 HydrophobicContact CG1-CG1 4.46Å; I532-V534 HydrophobicContact CG2-CG2 4.06Å; I532-I555 HydrophobicContact CD1-CG1 3.91Å; I532-I555 HydrophobicContact CD1-CG2 4.35Å; I532-I555 HydrophobicContact CG1-CG1 4.03Å; I532-T556 PolarHBondContact N-O 3.13Å; I532-T557 HydrophobicContact CB-CG2 4.3Å; I532-T557 CarbonylContact O-C 3.42Å; I532-T557 VanDerWaalsContact O-CA 3.23Å; I532-T557 WeakPolarHBondContact O-CA 3.35Å; I532-C558 PolarHBondContact O-N 3.42Å
533	F	97	Very high	94.1	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.6	165	-76.5	-71.3	0	0	0	110.1	Y463 S464 A465 I466 F480 V484 M495 L531 C558 V560 L584	Y463-F533 AromaticContact CD2-CD2 3.68Å; Y463-F533 HydrophobicContact CD2-CD2 3.68Å; Y463-F533 AromaticContact CD2-CE2 3.75Å; Y463-F533 HydrophobicContact CD2-CE2 3.75Å; Y463-F533 AromaticContact CE2-CD2 3.72Å; Y463-F533 HydrophobicContact CE2-CD2 3.72Å; Y463-F533 AromaticContact CE2-CE2 3.63Å; Y463-F533 HydrophobicContact CE2-CE2 3.63Å; S464-F533 PolarHBondContact O-N 3.29Å; A465-F533 CarbonylContact C-O 3.54Å; A465-F533 VanDerWaalsContact CA-O 3.26Å; A465-F533 WeakPolarHBondContact CA-O 3.39Å; A465-F533 HydrophobicContact CB-CB 4.04Å; I466-F533 PolarHBondContact N-O 2.76Å; F480-F533 AromaticContact CE1-CD1 3.94Å; F480-F533 HydrophobicContact CE1-CD1 3.94Å; F480-F533 HydrophobicContact CE1-CE1 4.05Å; F480-F533 HydrophobicContact CE1-CG 4.47Å; V484-F533 HydrophobicContact CB-CZ 4.3Å; V484-F533 HydrophobicContact CG1-CE1 4.36Å; V484-F533 HydrophobicContact CG1-CZ 3.78Å; M495-F533 HydrophobicContact CE-CE2 3.64Å; M495-F533 HydrophobicContact CE-CZ 4.04Å; L531-F533 HydrophobicContact CD2-CD2 4.36Å; L531-F533 HydrophobicContact CD2-CE1 4.45Å; L531-F533 HydrophobicContact CD2-CE2 3.88Å; L531-F533 HydrophobicContact CD2-CZ 3.91Å; F533-C558 WeakPolarHBondContact CA-O 3.39Å; F533-C558 HydrophobicContact CD1-CB 3.62Å; F533-C558 HydrophobicContact CE1-CB 3.72Å; F533-V560 HydrophobicContact CD1-CG2 4.38Å; F533-L584 HydrophobicContact CE1-CD1 4.24Å; F533-L584 HydrophobicContact CE1-CD2 4.48Å; F533-L584 HydrophobicContact CZ-CD1 3.89Å
534	V	97	Very high	93.9	Very high	1 Å²	1	51 Å²	51	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.4	177.6	-169.5	0	0	0	0	110.3	I466 F468 L511 I532 V536 A545 T557 C558 C559 V560	I466-V534 CarbonylContact O-C 3.59Å; I466-V534 VanDerWaalsContact O-CA 3.29Å; I466-V534 WeakPolarHBondContact O-CA 3.22Å; F468-V534 HydrophobicContact CD2-CG1 4.32Å; F468-V534 HydrophobicContact CE2-CG1 4.11Å; L511-V534 HydrophobicContact CD1-CG1 4.48Å; I532-V534 HydrophobicContact CG2-CG2 4.06Å; V534-V536 HydrophobicContact CB-CG1 4.49Å; V534-V536 HydrophobicContact CG1-CG1 3.87Å; V534-V536 PolarHBondContact O-N 3.19Å; V534-A545 HydrophobicContact CB-CB 4.38Å; V534-A545 HydrophobicContact CG1-CB 3.95Å; V534-A545 HydrophobicContact CG2-CB 4.37Å; V534-T557 HydrophobicContact CG2-CG2 4.1Å; V534-C558 PolarHBondContact N-O 3.01Å; V534-C559 CarbonylContact O-C 3.5Å; V534-C559 VanDerWaalsContact O-CA 3.28Å; V534-C559 WeakPolarHBondContact O-CA 3.18Å; V534-V560 PolarHBondContact O-N 3.04Å
535	A	94.8	Very high	93.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.2	175	0	0	0	0	0	109.9	I466 F468 L469 V477 V560 F565	I466-A535 PolarHBondContact O-N 3.44Å; F468-A535 WeakPolarHBondContact CB-O 2.75Å; F468-A535 WeakPolarHBondContact CD2-O 3.25Å; F468-A535 PolarHBondContact N-O 2.94Å; L469-A535 HydrophobicContact CD1-CB 4.16Å; L469-A535 HydrophobicContact CG-CB 3.92Å; V477-A535 HydrophobicContact CG2-CB 4.33Å; A535-V560 WeakPolarHBondContact CA-O 3.37Å; A535-F565 HydrophobicContact CB-CD2 4.3Å; A535-F565 HydrophobicContact CB-CE1 4.2Å; A535-F565 HydrophobicContact CB-CE2 3.4Å; A535-F565 VanDerWaalsContact CB-CE2 3.4Å; A535-F565 HydrophobicContact CB-CZ 3.33Å
536	V	93.1	Very high	93.8	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.4	-173.9	-61.8	0	0	0	0	112.3	F468 V534 H541 C559 V560 A562	F468-V536 HydrophobicContact CD2-CG1 4.47Å; V534-V536 HydrophobicContact CB-CG1 4.49Å; V534-V536 HydrophobicContact CG1-CG1 3.87Å; V534-V536 PolarHBondContact O-N 3.19Å; V536-H541 HydrophobicContact CB-CB 3.92Å; V536-H541 HydrophobicContact CG1-CB 3.97Å; V536-C559 HydrophobicContact CG1-CB 4.35Å; V536-V560 WeakPolarHBondContact CG2-O 3.35Å; V536-V560 PolarHBondContact N-O 3.42Å; V536-A562 PolarHBondContact O-N 2.82Å
537	N	89.6	Confident	93.7	Very high	86 Å²	86	34.5 Å²	34.5	46%	0.46	18%	0.183	S	C	.	.	S	Bend	trans	-100	-22.1	178.7	-70.2	-33.5	0	0	0	113.4	F468 L469 A562	F468-N537 PolarHBondContact O-ND2 3.17Å; L469-N537 VanDerWaalsContact CD2-OD1 3.24Å; L469-N537 WeakPolarHBondContact CD2-OD1 3.38Å; N537-A562 WeakPolarHBondContact OD1-CB 3.47Å
538	C	87	Confident	93.7	Very high	55 Å²	55	31.8 Å²	31.8	37%	0.372	17%	0.17	S	C	.	.	S	Bend	trans	-153.7	174.1	-174.7	69.8	0	0	0	0	111.4	H540 H541 Y542	C538-H540 VanDerWaalsContact C-N 3.34Å; C538-H540 PolarHBondContact O-N 2.88Å; C538-H541 PolarHBondContact O-N 2.93Å; C538-H541 PolarHBondContact SG-CD2 3.21Å; C538-Y542 PolarHBondContact O-N 2.9Å
539	V	84.4	Confident	93.8	Very high	105 Å²	105	26.7 Å²	26.7	64%	0.636	14%	0.139	S	C	*	.	H	α-helix	trans	-64	-36.9	180	-178.7	0	0	0	0	111.7	H541 Y542 A543	V539-H541 PolarHBondContact O-N 3.05Å; V539-Y542 WeakPolarHBondContact O-CB 3.31Å; V539-Y542 PolarHBondContact O-N 2.99Å; V539-A543 PolarHBondContact O-N 2.61Å
540	H	86.5	Confident	93.8	Very high	104 Å²	104	26.3 Å²	26.3	48%	0.481	14%	0.136	S	C	.	.	H	α-helix	trans	-64.2	-39.1	177.5	-62.1	-74.7	0	0	0	112.6	C538 Y542 A543 A544 E844	C538-H540 VanDerWaalsContact C-N 3.34Å; C538-H540 PolarHBondContact O-N 2.88Å; H540-Y542 VanDerWaalsContact C-N 3.32Å; H540-Y542 PolarHBondContact O-N 3.13Å; H540-A543 PolarHBondContact O-N 3Å; H540-A544 VanDerWaalsContact O-CB 3.32Å; H540-A544 WeakPolarHBondContact O-CB 3.49Å; H540-A544 PolarHBondContact O-N 3.12Å; H540-E844 IonicContact CE1-OE1 2.59Å; H540-E844 IonicContact CE1-OE2 2.83Å; H540-E844 IonicContact ND1-OE2 3.42Å; H540-E844 PolarHBondContact ND1-OE2 2.83Å
541	H	92.1	Very high	93.7	Very high	32 Å²	32	24.9 Å²	24.9	15%	0.148	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-38.7	175.2	-66	-175.5	0	0	0	111.5	F468 V536 C538 V539 A545	F468-H541 WeakPolarHBondContact CB-ND1 3.25Å; F468-H541 AromaticContact CD1-CE1 3.33Å; F468-H541 WeakPolarHBondContact CD1-CE1 3.41Å; F468-H541 AromaticContact CD1-CG 3.85Å; F468-H541 AromaticContact CD1-ND1 3.31Å; F468-H541 VanDerWaalsContact CD1-ND1 3.31Å; F468-H541 WeakPolarHBondContact CD1-ND1 3.41Å; F468-H541 AromaticContact CD1-NE2 3.86Å; F468-H541 HydrophobicContact CD2-CB 4.03Å; F468-H541 AromaticContact CD2-ND1 3.71Å; F468-H541 AromaticContact CE1-CD2 3.99Å; F468-H541 AromaticContact CE1-CE1 3.93Å; F468-H541 AromaticContact CE1-CG 3.91Å; F468-H541 AromaticContact CE1-ND1 3.86Å; F468-H541 HydrophobicContact CE2-CB 3.93Å; F468-H541 HydrophobicContact CG-CB 4.39Å; F468-H541 AromaticContact CG-CE1 3.66Å; F468-H541 AromaticContact CG-CG 3.88Å; F468-H541 AromaticContact CG-ND1 3.19Å; F468-H541 WeakPolarHBondContact CG-ND1 3.33Å; F468-H541 HydrophobicContact CZ-CB 4.18Å; V536-H541 HydrophobicContact CB-CB 3.92Å; V536-H541 HydrophobicContact CG1-CB 3.97Å; C538-H541 PolarHBondContact O-N 2.93Å; C538-H541 PolarHBondContact SG-CD2 3.21Å; V539-H541 PolarHBondContact O-N 3.05Å; H541-A545 VanDerWaalsContact O-CB 3.26Å; H541-A545 WeakPolarHBondContact O-CB 3.36Å; H541-A545 PolarHBondContact O-N 3.37Å
542	Y	93.1	Very high	93.5	Very high	59 Å²	59	29.3 Å²	29.3	23%	0.231	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-50.1	175.5	178.6	-82.2	0	0	0	111.4	C538 V539 H540 A544 A545 K546 C559	C538-Y542 PolarHBondContact O-N 2.9Å; V539-Y542 WeakPolarHBondContact O-CB 3.31Å; V539-Y542 PolarHBondContact O-N 2.99Å; H540-Y542 VanDerWaalsContact C-N 3.32Å; H540-Y542 PolarHBondContact O-N 3.13Å; Y542-A544 VanDerWaalsContact C-N 3.34Å; Y542-A544 PolarHBondContact O-N 2.97Å; Y542-A545 PolarHBondContact O-N 3.44Å; Y542-K546 HydrophobicContact CD1-CG 4.23Å; Y542-K546 HydrophobicContact CE1-CG 3.71Å; Y542-K546 HydrophobicContact CE2-CG 4.39Å; Y542-K546 PolarHBondContact O-N 3.48Å; Y542-C559 HydrophobicContact CD2-CB 3.47Å; Y542-C559 VanDerWaalsContact CD2-CB 3.47Å; Y542-C559 HydrophobicContact CE2-CB 3.62Å
543	A	91.4	Very high	93.3	Very high	6 Å²	6	31.2 Å²	31.2	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-44.2	179.9	0	0	0	0	0	111.4	V539 H540 K546 Y547 H841	V539-A543 PolarHBondContact O-N 2.61Å; H540-A543 PolarHBondContact O-N 3Å; A543-K546 PolarHBondContact O-N 3.04Å; A543-Y547 WeakPolarHBondContact O-CB 3.42Å; A543-Y547 PolarHBondContact O-N 3.19Å; A543-H841 HydrophobicContact CB-CB 4.33Å
544	A	93.4	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-46.8	175.2	0	0	0	0	0	112.5	T508 L511 H540 Y542 K546 Y547 I548 H841	T508-A544 HydrophobicContact CG2-CB 3.45Å; T508-A544 VanDerWaalsContact CG2-CB 3.45Å; L511-A544 HydrophobicContact CD2-CB 4.21Å; H540-A544 VanDerWaalsContact O-CB 3.32Å; H540-A544 WeakPolarHBondContact O-CB 3.49Å; H540-A544 PolarHBondContact O-N 3.12Å; Y542-A544 VanDerWaalsContact C-N 3.34Å; Y542-A544 PolarHBondContact O-N 2.97Å; A544-K546 VanDerWaalsContact C-N 3.32Å; A544-K546 PolarHBondContact O-N 3.38Å; A544-Y547 PolarHBondContact O-N 3.25Å; A544-I548 HydrophobicContact CB-CD1 4.42Å; A544-I548 WeakPolarHBondContact O-CB 3.19Å; A544-I548 WeakPolarHBondContact O-CD1 3.24Å; A544-I548 VanDerWaalsContact O-CG1 3.23Å; A544-I548 WeakPolarHBondContact O-CG1 3.24Å; A544-I548 PolarHBondContact O-N 3.32Å; A544-H841 VanDerWaalsContact CA-CE1 3.48Å; A544-H841 WeakPolarHBondContact CA-CE1 3.27Å; A544-H841 WeakPolarHBondContact CB-CE1 3.41Å
545	A	95.9	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-42.8	177.4	0	0	0	0	0	112.4	L511 V534 H541 Y542 A549	L511-A545 HydrophobicContact CD2-CB 4.01Å; V534-A545 HydrophobicContact CB-CB 4.38Å; V534-A545 HydrophobicContact CG1-CB 3.95Å; V534-A545 HydrophobicContact CG2-CB 4.37Å; H541-A545 VanDerWaalsContact O-CB 3.26Å; H541-A545 WeakPolarHBondContact O-CB 3.36Å; H541-A545 PolarHBondContact O-N 3.37Å; Y542-A545 PolarHBondContact O-N 3.44Å; A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 2.75Å; A545-A549 VanDerWaalsContact O-N 3.11Å
546	K	95.6	Very high	93.4	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-71	-44.6	177.4	-68.4	-46.6	-159.7	165.2	0	112.7	Y542 A543 A544 D550 T557 R834 H838	Y542-K546 HydrophobicContact CD1-CG 4.23Å; Y542-K546 HydrophobicContact CE1-CG 3.71Å; Y542-K546 HydrophobicContact CE2-CG 4.39Å; Y542-K546 PolarHBondContact O-N 3.48Å; A543-K546 PolarHBondContact O-N 3.04Å; A544-K546 VanDerWaalsContact C-N 3.32Å; A544-K546 PolarHBondContact O-N 3.38Å; K546-D550 WeakPolarHBondContact O-CB 3.42Å; K546-D550 PolarHBondContact O-N 3.3Å; K546-D550 VanDerWaalsContact O-OD2 3.08Å; K546-T557 WeakPolarHBondContact CD-OG1 3.5Å; K546-T557 PolarHBondContact NZ-O 3.19Å; K546-T557 PolarHBondContact NZ-OG1 2.97Å; K546-R834 VanDerWaalsContact CD-NH1 3.34Å; K546-H838 PolarHBondContact O-NE2 3.49Å
547	Y	95.2	Very high	93.6	Very high	33 Å²	33	33 Å²	33	13%	0.129	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-55.1	177.3	177.8	-100	0	0	0	111.9	A543 A544 A549 D550 V551 H838 H841 A842 A866	A543-Y547 WeakPolarHBondContact O-CB 3.42Å; A543-Y547 PolarHBondContact O-N 3.19Å; A544-Y547 PolarHBondContact O-N 3.25Å; Y547-A549 PolarHBondContact O-N 2.76Å; Y547-D550 PolarHBondContact O-N 3.39Å; Y547-V551 HydrophobicContact CD2-CB 4.26Å; Y547-V551 HydrophobicContact CD2-CG2 3.89Å; Y547-V551 HydrophobicContact CE2-CB 4.21Å; Y547-V551 HydrophobicContact CE2-CG1 4.15Å; Y547-V551 HydrophobicContact CE2-CG2 4.09Å; Y547-V551 VanDerWaalsContact O-CB 3.24Å; Y547-V551 WeakPolarHBondContact O-CB 3.43Å; Y547-V551 PolarHBondContact O-N 2.98Å; Y547-H838 HydrophobicContact CD2-CB 4.03Å; Y547-H838 WeakPolarHBondContact CD2-O 3.49Å; Y547-H841 AromaticContact CD1-CD2 3.22Å; Y547-H841 WeakPolarHBondContact CD1-CD2 3.37Å; Y547-H841 AromaticContact CD1-NE2 3.8Å; Y547-H841 AromaticContact CE1-CD2 3.92Å; Y547-H841 HydrophobicContact CG-CB 4.36Å; Y547-H841 AromaticContact CG-CD2 3.44Å; Y547-H841 VanDerWaalsContact CG-CD2 3.44Å; Y547-A842 HydrophobicContact CE2-CB 3.98Å; Y547-A866 WeakPolarHBondContact CE2-O 3.35Å
548	I	95.4	Very high	93.9	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.149	C	C	.	.	I	π-helix	trans	-60.6	-48.3	-176.9	-63.6	165	0	0	0	109.9	L511 E512 I515 A544 K552 Y553	L511-I548 HydrophobicContact CD2-CD1 3.9Å; L511-I548 HydrophobicContact CG-CD1 4.2Å; E512-I548 HydrophobicContact CB-CD1 4.27Å; E512-I548 HydrophobicContact CB-CG2 4.35Å; E512-I548 HydrophobicContact CG-CG2 4.32Å; I515-I548 HydrophobicContact CD1-CB 4.38Å; I515-I548 HydrophobicContact CD1-CG2 3.73Å; A544-I548 HydrophobicContact CB-CD1 4.42Å; A544-I548 WeakPolarHBondContact O-CB 3.19Å; A544-I548 WeakPolarHBondContact O-CD1 3.24Å; A544-I548 VanDerWaalsContact O-CG1 3.23Å; A544-I548 WeakPolarHBondContact O-CG1 3.24Å; A544-I548 PolarHBondContact O-N 3.32Å; I548-K552 HydrophobicContact CG2-CD 4.43Å; I548-K552 VanDerWaalsContact O-CB 3.3Å; I548-K552 WeakPolarHBondContact O-CB 3.45Å; I548-K552 PolarHBondContact O-N 3.1Å; I548-K552 VanDerWaalsContact O-N 3.13Å; I548-Y553 HydrophobicContact CG2-CD2 3.65Å; I548-Y553 HydrophobicContact CG2-CE2 3.59Å; I548-Y553 WeakPolarHBondContact O-CD2 3.38Å; I548-Y553 PolarHBondContact O-N 3.07Å
549	A	96.7	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-69.6	-43.8	-177.2	0	0	0	0	0	113.4	A545 Y547 G554 I555 T557	A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 2.75Å; A545-A549 VanDerWaalsContact O-N 3.11Å; Y547-A549 PolarHBondContact O-N 2.76Å; A549-G554 WeakPolarHBondContact O-CA 3.36Å; A549-G554 PolarHBondContact O-N 2.89Å; A549-I555 HydrophobicContact CB-CG2 3.79Å; A549-I555 WeakPolarHBondContact CB-O 3.47Å; A549-I555 PolarHBondContact O-N 3.19Å; A549-T557 HydrophobicContact CB-CG2 3.34Å
550	D	97.2	Very high	94.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	11%	0.11	C	C	.	.	I	π-helix	trans	-80.4	-39.5	-172.9	-55.8	-24.9	0	0	0	112.3	K546 Y547 R834 H838 V869 H870 I873	K546-D550 WeakPolarHBondContact O-CB 3.42Å; K546-D550 PolarHBondContact O-N 3.3Å; K546-D550 VanDerWaalsContact O-OD2 3.08Å; Y547-D550 PolarHBondContact O-N 3.39Å; D550-R834 IonicContact OD1-NH1 2.8Å; D550-R834 WeakPolarHBondContact OD2-CD 3.49Å; D550-R834 IonicContact OD2-CZ 4Å; D550-R834 IonicContact OD2-NE 3.62Å; D550-R834 IonicContact OD2-NH1 2.78Å; D550-R834 PolarHBondContact OD2-NH1 3.38Å; D550-H838 IonicContact OD2-CE1 2.7Å; D550-H838 PolarHBondContact OD2-CE1 3.2Å; D550-H838 IonicContact OD2-NE2 3.31Å; D550-H838 PolarHBondContact OD2-NE2 3.25Å; D550-V869 HydrophobicContact CB-CG1 4.48Å; D550-H870 WeakPolarHBondContact O-CB 3.27Å; D550-H870 PolarHBondContact O-N 3.46Å; D550-I873 HydrophobicContact CB-CD1 3.89Å
551	V	94.9	Very high	94.7	Very high	22 Å²	22	24.7 Å²	24.7	13%	0.133	12%	0.117	C	C	.	.	I	π-helix	trans	-92	-47.4	-174	179	0	0	0	0	111.4	Y547	Y547-V551 HydrophobicContact CD2-CB 4.26Å; Y547-V551 HydrophobicContact CD2-CG2 3.89Å; Y547-V551 HydrophobicContact CE2-CB 4.21Å; Y547-V551 HydrophobicContact CE2-CG1 4.15Å; Y547-V551 HydrophobicContact CE2-CG2 4.09Å; Y547-V551 VanDerWaalsContact O-CB 3.24Å; Y547-V551 WeakPolarHBondContact O-CB 3.43Å; Y547-V551 PolarHBondContact O-N 2.98Å
552	K	93.6	Very high	94.3	Very high	92 Å²	92	24.7 Å²	24.7	40%	0.4	12%	0.123	S	C	.	.	I	π-helix	trans	-85.5	-42.1	-173.4	-61.1	-175.5	169.8	-173.4	0	113.9	E512 I548 H870	E512-K552 WeakPolarHBondContact OE1-CD 3.27Å; E512-K552 IonicContact OE1-NZ 3.45Å; E512-K552 PolarHBondContact OE1-NZ 2.79Å; E512-K552 IonicContact OE2-NZ 2.85Å; E512-K552 PolarHBondContact OE2-NZ 2.91Å; I548-K552 HydrophobicContact CG2-CD 4.43Å; I548-K552 VanDerWaalsContact O-CB 3.3Å; I548-K552 WeakPolarHBondContact O-CB 3.45Å; I548-K552 PolarHBondContact O-N 3.1Å; I548-K552 VanDerWaalsContact O-N 3.13Å; K552-H870 PolarHBondContact O-CD2 3.28Å
553	Y	95.8	Very high	93.6	Very high	41 Å²	41	25.9 Å²	25.9	16%	0.161	13%	0.133	C	C	.	.	I	π-helix	trans	-108.7	-26.4	-169	-73.1	-85.5	0	0	0	114.7	E512 I515 D516 L519 I548	E512-Y553 HydrophobicContact CG-CE2 4.06Å; I515-Y553 HydrophobicContact CB-CE2 4.47Å; I515-Y553 HydrophobicContact CG2-CD1 3.87Å; I515-Y553 HydrophobicContact CG2-CD2 3.75Å; I515-Y553 HydrophobicContact CG2-CE1 4.12Å; I515-Y553 HydrophobicContact CG2-CE2 4.04Å; I515-Y553 HydrophobicContact CG2-CG 3.65Å; D516-Y553 HydrophobicContact CB-CE1 4.44Å; L519-Y553 HydrophobicContact CD1-CD1 3.42Å; L519-Y553 VanDerWaalsContact CD1-CD1 3.42Å; L519-Y553 HydrophobicContact CD1-CE1 4.14Å; L519-Y553 HydrophobicContact CD1-CG 4.11Å; I548-Y553 HydrophobicContact CG2-CD2 3.65Å; I548-Y553 HydrophobicContact CG2-CE2 3.59Å; I548-Y553 WeakPolarHBondContact O-CD2 3.38Å; I548-Y553 PolarHBondContact O-N 3.07Å
554	G	96.4	Very high	93	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	14%	0.141	C	C	.	.			trans	62.7	49.9	-172.4	0	0	0	0	0	112.4	A549 I873	A549-G554 WeakPolarHBondContact O-CA 3.36Å; A549-G554 PolarHBondContact O-N 2.89Å; G554-I873 VanDerWaalsContact O-CG2 3.32Å; G554-I873 WeakPolarHBondContact O-CG2 3.34Å
555	I	97.3	Very high	92.2	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.051	14%	0.142	C	C	.	.			trans	-119.5	131.8	177.5	-176.1	60	0	0	0	111.1	I515 L519 C529 I532 A549 T557	I515-I555 HydrophobicContact CG2-CG2 4.24Å; L519-I555 HydrophobicContact CD2-CD1 4.48Å; L519-I555 HydrophobicContact CD2-CG1 4.48Å; C529-I555 HydrophobicContact CB-CD1 4.09Å; C529-I555 WeakPolarHBondContact O-CD1 3.48Å; I532-I555 HydrophobicContact CD1-CG1 3.91Å; I532-I555 HydrophobicContact CD1-CG2 4.35Å; I532-I555 HydrophobicContact CG1-CG1 4.03Å; A549-I555 HydrophobicContact CB-CG2 3.79Å; A549-I555 WeakPolarHBondContact CB-O 3.47Å; A549-I555 PolarHBondContact O-N 3.19Å; I555-T557 PolarHBondContact O-N 2.86Å
556	T	97.7	Very high	90.8	Very high	22 Å²	22	35.7 Å²	35.7	14%	0.135	17%	0.171	C	C	.	.			trans	-64.7	128.1	177.7	-57.3	0	0	0	0	110.6	E530 L531 I532 V587	E530-T556 WeakPolarHBondContact O-CB 3.37Å; L531-T556 WeakPolarHBondContact CA-O 3.37Å; L531-T556 HydrophobicContact CD1-CG2 3.88Å; I532-T556 PolarHBondContact N-O 3.13Å; T556-V587 HydrophobicContact CG2-CB 4.14Å; T556-V587 HydrophobicContact CG2-CG2 3.83Å
557	T	97.3	Very high	89.2	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141	175.9	53.8	0	0	0	0	112.9	I532 V534 K546 A549 I555	I532-T557 HydrophobicContact CB-CG2 4.3Å; I532-T557 CarbonylContact O-C 3.42Å; I532-T557 VanDerWaalsContact O-CA 3.23Å; I532-T557 WeakPolarHBondContact O-CA 3.35Å; V534-T557 HydrophobicContact CG2-CG2 4.1Å; K546-T557 WeakPolarHBondContact CD-OG1 3.5Å; K546-T557 PolarHBondContact NZ-O 3.19Å; K546-T557 PolarHBondContact NZ-OG1 2.97Å; A549-T557 HydrophobicContact CB-CG2 3.34Å; I555-T557 PolarHBondContact O-N 2.86Å
558	C	95.8	Very high	87.5	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	98	167.4	-179.3	0	0	0	0	109.8	L531 I532 F533 V534 L584	L531-C558 HydrophobicContact CD1-CB 4.06Å; I532-C558 PolarHBondContact O-N 3.42Å; F533-C558 WeakPolarHBondContact CA-O 3.39Å; F533-C558 HydrophobicContact CD1-CB 3.62Å; F533-C558 HydrophobicContact CE1-CB 3.72Å; V534-C558 PolarHBondContact N-O 3.01Å; C558-L584 HydrophobicContact CB-CD2 3.82Å
559	C	94.6	Very high	85.5	Confident	24 Å²	24	43.2 Å²	43.2	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.4	177.8	-65.8	0	0	0	0	111.1	V534 V536 Y542	V534-C559 CarbonylContact O-C 3.5Å; V534-C559 VanDerWaalsContact O-CA 3.28Å; V534-C559 WeakPolarHBondContact O-CA 3.18Å; V536-C559 HydrophobicContact CG1-CB 4.35Å; Y542-C559 HydrophobicContact CD2-CB 3.47Å; Y542-C559 VanDerWaalsContact CD2-CB 3.47Å; Y542-C559 HydrophobicContact CE2-CB 3.62Å
560	V	91.8	Very high	83.5	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.4	-176.1	-175.6	0	0	0	0	108.8	F480 F533 V534 A535 V536 I564 F565	F480-V560 HydrophobicContact CE1-CG1 4.47Å; F480-V560 HydrophobicContact CE1-CG2 3.91Å; F480-V560 HydrophobicContact CE2-CG1 4.1Å; F480-V560 HydrophobicContact CZ-CB 4.3Å; F480-V560 HydrophobicContact CZ-CG1 3.85Å; F480-V560 HydrophobicContact CZ-CG2 3.66Å; F533-V560 HydrophobicContact CD1-CG2 4.38Å; V534-V560 PolarHBondContact O-N 3.04Å; A535-V560 WeakPolarHBondContact CA-O 3.37Å; V536-V560 WeakPolarHBondContact CG2-O 3.35Å; V536-V560 PolarHBondContact N-O 3.42Å; V560-I564 HydrophobicContact CG1-CB 3.85Å; V560-I564 HydrophobicContact CG1-CD1 3.85Å; V560-I564 HydrophobicContact CG1-CG1 4.39Å; V560-I564 HydrophobicContact CG1-CG2 3.95Å; V560-F565 HydrophobicContact CB-CE2 3.79Å; V560-F565 HydrophobicContact CB-CZ 3.74Å; V560-F565 HydrophobicContact CG1-CD2 4.35Å; V560-F565 HydrophobicContact CG1-CE2 3.64Å; V560-F565 HydrophobicContact CG1-CZ 3.79Å
561	K	88.4	Confident	81.3	Confident	143 Å²	143	52.8 Å²	52.8	62%	0.622	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.4	179.8	-68.6	-178.4	179.9	175.6	0	111.6	D563 I564 F565	K561-D563 WeakPolarHBondContact CB-OD1 3.38Å; K561-D563 PolarHBondContact O-N 3.17Å; K561-D563 VanDerWaalsContact O-N 3.13Å; K561-I564 PolarHBondContact O-N 2.96Å; K561-I564 VanDerWaalsContact O-N 3.11Å; K561-F565 WeakPolarHBondContact O-CD2 3.46Å
562	A	83.4	Confident	79	Confident	33 Å²	33	60.6 Å²	60.6	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.8	-177.5	0	0	0	0	0	115.1	L469 V536 N537 F565	L469-A562 HydrophobicContact CD2-CB 3.51Å; V536-A562 PolarHBondContact O-N 2.82Å; N537-A562 WeakPolarHBondContact OD1-CB 3.47Å; A562-F565 PolarHBondContact O-N 3.05Å
563	D	78.9	Confident	77	Confident	83 Å²	83	59 Å²	59	44%	0.444	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.5	179.3	59.9	-31.4	0	0	0	113.1	K561 F565 R566	K561-D563 WeakPolarHBondContact CB-OD1 3.38Å; K561-D563 PolarHBondContact O-N 3.17Å; K561-D563 VanDerWaalsContact O-N 3.13Å; D563-F565 VanDerWaalsContact C-N 3.28Å; D563-F565 PolarHBondContact O-N 2.91Å; D563-R566 VanDerWaalsContact O-CB 3.3Å; D563-R566 WeakPolarHBondContact O-CB 3.49Å; D563-R566 PolarHBondContact O-N 2.89Å; D563-R566 VanDerWaalsContact O-N 3.13Å
564	I	78.5	Confident	75.3	Confident	44 Å²	44	58.7 Å²	58.7	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-36.4	177.7	-61	173.7	0	0	0	110.8	F480 V560 K561 R566 N567 A568	F480-I564 HydrophobicContact CE2-CG2 4.06Å; V560-I564 HydrophobicContact CG1-CB 3.85Å; V560-I564 HydrophobicContact CG1-CD1 3.85Å; V560-I564 HydrophobicContact CG1-CG1 4.39Å; V560-I564 HydrophobicContact CG1-CG2 3.95Å; K561-I564 PolarHBondContact O-N 2.96Å; K561-I564 VanDerWaalsContact O-N 3.11Å; I564-R566 PolarHBondContact O-N 3.3Å; I564-N567 PolarHBondContact O-N 3.36Å; I564-A568 PolarHBondContact O-N 2.89Å
565	F	75.1	Confident	73.9	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	33%	0.329	C	S	.	.	H	α-helix	trans	-68.5	-19.5	177.8	-61.6	-85.3	0	0	0	113.7	L469 N476 V477 F480 A535 V560 K561 A562 D563 N567	L469-F565 HydrophobicContact CD1-CB 4.07Å; L469-F565 HydrophobicContact CD1-CD1 4.4Å; L469-F565 HydrophobicContact CD1-CD2 3.9Å; L469-F565 HydrophobicContact CD1-CE2 4.43Å; L469-F565 HydrophobicContact CD1-CG 3.86Å; N476-F565 HydrophobicContact CB-CB 4.31Å; V477-F565 HydrophobicContact CB-CD1 4.47Å; V477-F565 HydrophobicContact CB-CE1 4.22Å; V477-F565 HydrophobicContact CG1-CE1 4.15Å; V477-F565 HydrophobicContact CG2-CD1 4.01Å; V477-F565 HydrophobicContact CG2-CE1 3.93Å; F480-F565 HydrophobicContact CB-CD1 3.8Å; F480-F565 HydrophobicContact CB-CE1 3.87Å; F480-F565 HydrophobicContact CD1-CD1 4.35Å; F480-F565 AromaticContact CD1-CE1 3.61Å; F480-F565 HydrophobicContact CD1-CE1 3.61Å; F480-F565 HydrophobicContact CD1-CZ 4.31Å; F480-F565 HydrophobicContact CD2-CD1 4.4Å; F480-F565 HydrophobicContact CD2-CE1 4.31Å; F480-F565 HydrophobicContact CE1-CE1 4.23Å; F480-F565 AromaticContact CG-CD1 3.93Å; F480-F565 HydrophobicContact CG-CD1 3.93Å; F480-F565 AromaticContact CG-CE1 3.65Å; F480-F565 HydrophobicContact CG-CE1 3.65Å; A535-F565 HydrophobicContact CB-CD2 4.3Å; A535-F565 HydrophobicContact CB-CE1 4.2Å; A535-F565 HydrophobicContact CB-CE2 3.4Å; A535-F565 VanDerWaalsContact CB-CE2 3.4Å; A535-F565 HydrophobicContact CB-CZ 3.33Å; V560-F565 HydrophobicContact CB-CE2 3.79Å; V560-F565 HydrophobicContact CB-CZ 3.74Å; V560-F565 HydrophobicContact CG1-CD2 4.35Å; V560-F565 HydrophobicContact CG1-CE2 3.64Å; V560-F565 HydrophobicContact CG1-CZ 3.79Å; K561-F565 WeakPolarHBondContact O-CD2 3.46Å; A562-F565 PolarHBondContact O-N 3.05Å; D563-F565 VanDerWaalsContact C-N 3.28Å; D563-F565 PolarHBondContact O-N 2.91Å; F565-N567 VanDerWaalsContact C-N 3.32Å
566	R	67.5	Low	72.5	Confident	166 Å²	166	62 Å²	62	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-69.4	-35.4	175.5	-163.8	-172.3	-41.9	-168.2	6.5	111.6	D563 I564	D563-R566 VanDerWaalsContact O-CB 3.3Å; D563-R566 WeakPolarHBondContact O-CB 3.49Å; D563-R566 PolarHBondContact O-N 2.89Å; D563-R566 VanDerWaalsContact O-N 3.13Å; I564-R566 PolarHBondContact O-N 3.3Å
567	N	62.8	Low	71.3	Confident	91 Å²	91	61.2 Å²	61.2	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-89.2	-11.7	-178.4	-60.3	-21.7	0	0	0	112.3	I564 F565 L569 G570 T574	I564-N567 PolarHBondContact O-N 3.36Å; F565-N567 VanDerWaalsContact C-N 3.32Å; N567-L569 PolarHBondContact O-N 2.89Å; N567-G570 PolarHBondContact O-N 2.79Å; N567-T574 HydrophobicContact CB-CG2 3.56Å
568	A	57.7	Low	70.3	Confident	6 Å²	6	66.5 Å²	66.5	5%	0.05	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.1	-178	0	0	0	0	0	114.3	F480 N483 I564 G570	F480-A568 HydrophobicContact CB-CB 4.15Å; F480-A568 HydrophobicContact CD2-CB 4.4Å; N483-A568 PolarHBondContact ND2-O 2.68Å; I564-A568 PolarHBondContact O-N 2.89Å; A568-G570 VanDerWaalsContact C-N 3.34Å
569	L	54.4	Low	69.8	Low	103 Å²	103	71.9 Å²	71.9	54%	0.539	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.9	178.8	-72.5	171.1	0	0	0	113.8	N476 N567	N476-L569 VanDerWaalsContact OD1-CD1 3.23Å; N476-L569 WeakPolarHBondContact OD1-CD1 3.19Å; N476-L569 VanDerWaalsContact OD1-CD2 3.24Å; N476-L569 WeakPolarHBondContact OD1-CD2 3.46Å; N476-L569 WeakPolarHBondContact OD1-CG 3.28Å; N567-L569 PolarHBondContact O-N 2.89Å
570	G	54.6	Low	69.6	Low	35 Å²	35	72 Å²	72	36%	0.361	38%	0.377	S	S	.	.	S	Bend	trans	-86.3	139.9	177	0	0	0	0	0	111.7	N567 A568 K572	N567-G570 PolarHBondContact O-N 2.79Å; A568-G570 VanDerWaalsContact C-N 3.34Å; G570-K572 CarbonylContact O-C 3.47Å; G570-K572 PolarHBondContact O-N 2.88Å
571	N	50.7	Low	69.7	Low	169 Å²	169	71.7 Å²	71.7	90%	0.904	38%	0.376	S	S	*	.	S	Bend	trans	-57	-13.8	164.9	-73.5	-5	0	0	0	112.8	C573	N571-C573 PolarHBondContact O-N 2.84Å
572	K	47.7	Very low	70	Confident	186 Å²	186	65 Å²	65	81%	0.809	35%	0.347	S	S	*	.	S	Bend	trans	-73.2	75.1	165.8	-66.3	-172.7	179.2	-176.6	0	108.9	G570 T574	G570-K572 CarbonylContact O-C 3.47Å; G570-K572 PolarHBondContact O-N 2.88Å; K572-T574 PolarHBondContact O-N 3.45Å
573	C	51.7	Low	70.6	Confident	57 Å²	57	65.6 Å²	65.6	39%	0.385	34%	0.343	S	S	.	.			trans	-44.2	109.4	165.1	-74.1	0	0	0	0	108.4	N571 V577	N571-C573 PolarHBondContact O-N 2.84Å; C573-V577 HydrophobicContact CB-CB 4.48Å
574	T	59.2	Low	71.4	Confident	36 Å²	36	61.7 Å²	61.7	22%	0.221	32%	0.322	C	S	.	.			trans	-57.2	153.6	177.5	58.8	0	0	0	0	109.7	N567 K572 A576 V577 K578	N567-T574 HydrophobicContact CB-CG2 3.56Å; K572-T574 PolarHBondContact O-N 3.45Å; T574-A576 PolarHBondContact O-N 3.22Å; T574-V577 PolarHBondContact O-N 3.31Å; T574-K578 PolarHBondContact O-N 2.94Å
575	G	66.8	Low	72.3	Confident	49 Å²	49	59.6 Å²	59.6	51%	0.505	31%	0.312	S	S	.	.	H	α-helix	trans	-51.9	-26.1	173.8	0	0	0	0	0	113.1	K578 R579	G575-K578 PolarHBondContact O-N 3.34Å; G575-R579 VanDerWaalsContact O-CG 3.31Å; G575-R579 WeakPolarHBondContact O-CG 3.46Å; G575-R579 PolarHBondContact O-N 2.91Å; G575-R579 VanDerWaalsContact O-N 3.16Å
576	A	68	Low	73.3	Confident	39 Å²	39	59.8 Å²	59.8	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-46.4	173	0	0	0	0	0	113.1	T574 K578 R579 L580	T574-A576 PolarHBondContact O-N 3.22Å; A576-K578 VanDerWaalsContact C-N 3.3Å; A576-K578 PolarHBondContact O-N 3.47Å; A576-R579 PolarHBondContact O-N 2.9Å; A576-R579 VanDerWaalsContact O-N 3.14Å; A576-L580 WeakPolarHBondContact O-CG 3.23Å; A576-L580 PolarHBondContact O-N 3.32Å; A576-L580 VanDerWaalsContact O-N 3.07Å
577	V	73.5	Confident	74.7	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-38	179.1	175.4	0	0	0	0	110.9	F480 N483 V484 C573 T574 R579 L580 P581	F480-V577 HydrophobicContact CE2-CG2 4.29Å; N483-V577 HydrophobicContact CB-CG1 4.42Å; V484-V577 HydrophobicContact CG2-CG1 4.14Å; C573-V577 HydrophobicContact CB-CB 4.48Å; T574-V577 PolarHBondContact O-N 3.31Å; V577-R579 VanDerWaalsContact C-N 3.31Å; V577-R579 PolarHBondContact O-N 3.33Å; V577-L580 PolarHBondContact O-N 3Å; V577-P581 WeakPolarHBondContact O-CD 3.32Å
578	K	74.8	Confident	76.3	Confident	118 Å²	118	49.6 Å²	49.6	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-70.3	-23.3	176.5	-70.7	-168.2	172	-165.3	0	114	T574 G575 A576	T574-K578 PolarHBondContact O-N 2.94Å; G575-K578 PolarHBondContact O-N 3.34Å; A576-K578 VanDerWaalsContact C-N 3.3Å; A576-K578 PolarHBondContact O-N 3.47Å
579	R	85.8	Confident	78.1	Confident	115 Å²	115	50.5 Å²	50.5	43%	0.434	28%	0.281	S	S	.	.	H	α-helix	trans	-87.1	-24.8	176.8	-72.3	174.6	-177.5	179.2	-1.1	113.1	G575 A576 V577 L582 K583	G575-R579 VanDerWaalsContact O-CG 3.31Å; G575-R579 WeakPolarHBondContact O-CG 3.46Å; G575-R579 PolarHBondContact O-N 2.91Å; G575-R579 VanDerWaalsContact O-N 3.16Å; A576-R579 PolarHBondContact O-N 2.9Å; A576-R579 VanDerWaalsContact O-N 3.14Å; V577-R579 VanDerWaalsContact C-N 3.31Å; V577-R579 PolarHBondContact O-N 3.33Å; R579-L582 WeakPolarHBondContact O-CB 3.41Å; R579-L582 PolarHBondContact O-N 3.43Å; R579-L582 VanDerWaalsContact O-N 3.16Å; R579-K583 PolarHBondContact O-N 2.88Å
580	L	91.2	Very high	80.1	Confident	26 Å²	26	45.6 Å²	45.6	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-41.7	-179.1	-78.8	172.9	0	0	0	114.2	F480 V484 A576 V577 L582 K583 L584	F480-L580 HydrophobicContact CE2-CD1 3.87Å; F480-L580 HydrophobicContact CZ-CD1 3.46Å; F480-L580 VanDerWaalsContact CZ-CD1 3.46Å; V484-L580 HydrophobicContact CG1-CB 4.21Å; V484-L580 HydrophobicContact CG2-CD1 3.72Å; A576-L580 WeakPolarHBondContact O-CG 3.23Å; A576-L580 PolarHBondContact O-N 3.32Å; A576-L580 VanDerWaalsContact O-N 3.07Å; V577-L580 PolarHBondContact O-N 3Å; L580-L582 PolarHBondContact O-N 3.26Å; L580-K583 PolarHBondContact O-N 2.87Å; L580-K583 VanDerWaalsContact O-N 3.15Å; L580-L584 WeakPolarHBondContact O-CB 3.44Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.28Å; L580-L584 PolarHBondContact O-N 2.9Å
581	P	93.7	Very high	82	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.8	-39.8	174.6	-30.8	36	0	0	0	113.8	A487 M491 V577 L584 N585	A487-P581 HydrophobicContact CB-CG 3.73Å; M491-P581 HydrophobicContact CG-CB 4.47Å; M491-P581 HydrophobicContact SD-CB 3.58Å; M491-P581 VanDerWaalsContact SD-CB 3.58Å; M491-P581 HydrophobicContact SD-CG 4.21Å; V577-P581 WeakPolarHBondContact O-CD 3.32Å; P581-L584 PolarHBondContact O-N 3.07Å; P581-N585 VanDerWaalsContact O-CB 3.26Å; P581-N585 WeakPolarHBondContact O-CB 3.43Å; P581-N585 PolarHBondContact O-N 2.9Å
582	L	95	Very high	84.2	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-49.5	177.5	-65.1	175.2	0	0	0	111.1	L454 M491 R579 L580 L586 N592 G813 T816	L454-L582 HydrophobicContact CD2-CD2 3.71Å; M491-L582 HydrophobicContact SD-CD2 4.46Å; R579-L582 WeakPolarHBondContact O-CB 3.41Å; R579-L582 PolarHBondContact O-N 3.43Å; R579-L582 VanDerWaalsContact O-N 3.16Å; L580-L582 PolarHBondContact O-N 3.26Å; L582-L586 PolarHBondContact O-N 2.84Å; L582-N592 WeakPolarHBondContact CA-ND2 3.47Å; L582-N592 HydrophobicContact CD2-CB 4.41Å; L582-N592 PolarHBondContact O-ND2 3.15Å; L582-G813 WeakPolarHBondContact CB-O 3.41Å; L582-T816 HydrophobicContact CD1-CG2 3.89Å
583	K	94.7	Very high	86.4	Confident	44 Å²	44	27.9 Å²	27.9	19%	0.191	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-49.1	176.1	168	164.3	177.4	148.5	0	111.9	R579 L580 N585 L586 V587 V880	R579-K583 PolarHBondContact O-N 2.88Å; L580-K583 PolarHBondContact O-N 2.87Å; L580-K583 VanDerWaalsContact O-N 3.15Å; K583-N585 VanDerWaalsContact C-N 3.3Å; K583-N585 PolarHBondContact O-N 3.16Å; K583-L586 PolarHBondContact O-N 3.5Å; K583-V587 PolarHBondContact O-N 2.91Å; K583-V880 WeakPolarHBondContact CE-O 3.34Å; K583-V880 WeakPolarHBondContact CE-OXT 3.27Å; K583-V880 HydrophobicContact CG-CG1 4.2Å; K583-V880 PolarHBondContact NZ-O 2.87Å; K583-V880 PolarHBondContact NZ-OXT 3.03Å
584	L	96.5	Very high	88.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-41.7	-176.9	-73.1	176	0	0	0	111.5	V484 M493 L531 F533 C558 L580 P581 L586 V587 L588	V484-L584 HydrophobicContact CG1-CD1 3.58Å; M493-L584 HydrophobicContact CE-CB 4.42Å; L531-L584 HydrophobicContact CD1-CD2 4.12Å; L531-L584 HydrophobicContact CD2-CD2 3.81Å; F533-L584 HydrophobicContact CE1-CD1 4.24Å; F533-L584 HydrophobicContact CE1-CD2 4.48Å; F533-L584 HydrophobicContact CZ-CD1 3.89Å; C558-L584 HydrophobicContact CB-CD2 3.82Å; L580-L584 WeakPolarHBondContact O-CB 3.44Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.28Å; L580-L584 PolarHBondContact O-N 2.9Å; P581-L584 PolarHBondContact O-N 3.07Å; L584-L586 VanDerWaalsContact C-N 3.33Å; L584-L586 PolarHBondContact O-N 3.04Å; L584-V587 VanDerWaalsContact O-CG2 3.27Å; L584-V587 WeakPolarHBondContact O-CG2 3.42Å; L584-V587 PolarHBondContact O-N 2.92Å; L584-L588 HydrophobicContact CB-CD1 4.38Å; L584-L588 VanDerWaalsContact O-CB 3.24Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CD1 3.04Å; L584-L588 VanDerWaalsContact O-CG 3.22Å; L584-L588 WeakPolarHBondContact O-CG 3.22Å; L584-L588 PolarHBondContact O-N 2.85Å
585	N	97.4	Very high	90.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-43	179.2	-167.5	56.5	0	0	0	112.3	L454 K456 P457 A458 M493 P581 K583 L588 G589 G590 V591 N592	L454-N585 HydrophobicContact CD1-CB 3.5Å; L454-N585 VanDerWaalsContact CD1-CB 3.5Å; L454-N585 WeakPolarHBondContact CD1-ND2 3.34Å; K456-N585 PolarHBondContact O-ND2 3.36Å; K456-N585 VanDerWaalsContact O-ND2 3.08Å; K456-N585 PolarHBondContact O-OD1 3.08Å; P457-N585 WeakPolarHBondContact CA-OD1 3.46Å; A458-N585 WeakPolarHBondContact CB-OD1 3.32Å; A458-N585 PolarHBondContact N-OD1 2.69Å; M493-N585 HydrophobicContact CE-CB 4.1Å; M493-N585 HydrophobicContact SD-CB 3.85Å; P581-N585 VanDerWaalsContact O-CB 3.26Å; P581-N585 WeakPolarHBondContact O-CB 3.43Å; P581-N585 PolarHBondContact O-N 2.9Å; K583-N585 VanDerWaalsContact C-N 3.3Å; K583-N585 PolarHBondContact O-N 3.16Å; N585-L588 PolarHBondContact O-N 3.44Å; N585-G589 PolarHBondContact O-N 3.29Å; N585-G590 VanDerWaalsContact O-CA 3.22Å; N585-G590 WeakPolarHBondContact O-CA 3.17Å; N585-G590 PolarHBondContact O-N 3.33Å; N585-V591 PolarHBondContact ND2-N 2.77Å; N585-V591 PolarHBondContact ND2-O 2.87Å; N585-N592 VanDerWaalsContact CB-OD1 3.31Å; N585-N592 WeakPolarHBondContact CB-OD1 3.38Å; N585-N592 PolarHBondContact ND2-OD1 3.05Å
586	L	96.7	Very high	91.4	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-49.8	178.8	-65	174.6	0	0	0	112.1	L582 K583 L584 L588 G589 M877	L582-L586 PolarHBondContact O-N 2.84Å; K583-L586 PolarHBondContact O-N 3.5Å; L584-L586 VanDerWaalsContact C-N 3.33Å; L584-L586 PolarHBondContact O-N 3.04Å; L586-L588 PolarHBondContact O-N 3.22Å; L586-G589 PolarHBondContact O-N 2.78Å; L586-G589 VanDerWaalsContact O-N 3.13Å; L586-M877 HydrophobicContact CB-SD 4.1Å; L586-M877 HydrophobicContact CD2-SD 4.37Å
587	V	96	Very high	92.2	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-26.2	-178.5	-57.5	0	0	0	0	112.4	T556 K583 L584 G589 V880	T556-V587 HydrophobicContact CG2-CB 4.14Å; T556-V587 HydrophobicContact CG2-CG2 3.83Å; K583-V587 PolarHBondContact O-N 2.91Å; L584-V587 VanDerWaalsContact O-CG2 3.27Å; L584-V587 WeakPolarHBondContact O-CG2 3.42Å; L584-V587 PolarHBondContact O-N 2.92Å; V587-G589 VanDerWaalsContact C-N 3.33Å; V587-V880 HydrophobicContact CG1-CB 3.92Å; V587-V880 HydrophobicContact CG1-CG1 4.29Å
588	L	96.6	Very high	93	Very high	32 Å²	32	28.9 Å²	28.9	17%	0.168	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	11.8	176.8	-67.1	167.7	0	0	0	113.7	A458 C460 M493 L584 N585 L586	A458-L588 HydrophobicContact CB-CB 3.63Å; A458-L588 WeakPolarHBondContact CB-O 3.48Å; C460-L588 HydrophobicContact CB-CD1 3.76Å; M493-L588 HydrophobicContact CE-CD1 3.94Å; L584-L588 HydrophobicContact CB-CD1 4.38Å; L584-L588 VanDerWaalsContact O-CB 3.24Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CD1 3.04Å; L584-L588 VanDerWaalsContact O-CG 3.22Å; L584-L588 WeakPolarHBondContact O-CG 3.22Å; L584-L588 PolarHBondContact O-N 2.85Å; N585-L588 PolarHBondContact O-N 3.44Å; L586-L588 PolarHBondContact O-N 3.22Å
589	G	94.2	Very high	93.8	Very high	26 Å²	26	30.2 Å²	30.2	27%	0.268	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	5.4	172.8	0	0	0	0	0	115.6	N585 L586 V587 R643	N585-G589 PolarHBondContact O-N 3.29Å; L586-G589 PolarHBondContact O-N 2.78Å; L586-G589 VanDerWaalsContact O-N 3.13Å; V587-G589 VanDerWaalsContact C-N 3.33Å; G589-R643 PolarHBondContact O-NH1 3.07Å
590	G	96.6	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.			trans	-80	-179.3	174.5	0	0	0	0	0	113.7	K456 N585 R643	K456-G590 CarbonylContact O-C 3.59Å; K456-G590 WeakPolarHBondContact O-CA 3.28Å; N585-G590 VanDerWaalsContact O-CA 3.22Å; N585-G590 WeakPolarHBondContact O-CA 3.17Å; N585-G590 PolarHBondContact O-N 3.33Å; G590-R643 PolarHBondContact O-NH1 3.14Å
591	V	96	Very high	94.1	Very high	10 Å²	10	25 Å²	25	6%	0.061	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-134.8	132.2	173.6	176.8	0	0	0	0	108	F455 K456 N585 A642 R643	F455-V591 CarbonylContact C-O 3.54Å; F455-V591 HydrophobicContact CB-CG1 4.37Å; F455-V591 HydrophobicContact CD1-CB 4.28Å; F455-V591 HydrophobicContact CD1-CG1 3.89Å; F455-V591 PolarHBondContact N-O 2.8Å; K456-V591 CarbonylContact C-O 3.58Å; K456-V591 HydrophobicContact CB-CB 3.77Å; K456-V591 HydrophobicContact CB-CG2 4.22Å; K456-V591 HydrophobicContact CD-CG2 4.37Å; K456-V591 PolarHBondContact N-O 2.64Å; K456-V591 PolarHBondContact O-N 2.88Å; N585-V591 PolarHBondContact ND2-N 2.77Å; N585-V591 PolarHBondContact ND2-O 2.87Å; V591-A642 HydrophobicContact CG1-CB 3.55Å; V591-A642 HydrophobicContact CG2-CB 4.36Å; V591-R643 HydrophobicContact CG2-CG 3.9Å
592	N	95.6	Very high	94	Very high	2 Å²	2	30 Å²	30	1%	0.011	16%	0.155	C	C	.	.			trans	-85.4	-46.9	-177.3	-67.8	-12.4	0	0	0	111.6	Y431 L454 F455 L582 N585 G813	Y431-N592 WeakPolarHBondContact CD1-O 3.21Å; Y431-N592 WeakPolarHBondContact CE1-O 3.35Å; L454-N592 HydrophobicContact CD2-CB 4.21Å; F455-N592 VanDerWaalsContact CB-O 3.31Å; F455-N592 WeakPolarHBondContact CB-O 3.35Å; F455-N592 PolarHBondContact N-O 3.43Å; L582-N592 WeakPolarHBondContact CA-ND2 3.47Å; L582-N592 HydrophobicContact CD2-CB 4.41Å; L582-N592 PolarHBondContact O-ND2 3.15Å; N585-N592 VanDerWaalsContact CB-OD1 3.31Å; N585-N592 WeakPolarHBondContact CB-OD1 3.38Å; N585-N592 PolarHBondContact ND2-OD1 3.05Å; N592-G813 PolarHBondContact ND2-O 2.64Å
593	S	95.2	Very high	93.9	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.042	17%	0.169	C	C	.	.			trans	-157.7	166.4	179.6	47.8	0	0	0	0	110.2	E430 Y431	E430-S593 WeakPolarHBondContact O-CA 3.46Å; E430-S593 WeakPolarHBondContact O-CB 3.31Å; Y431-S593 PolarHBondContact OH-OG 2.77Å
594	H	93.3	Very high	93.8	Very high	22 Å²	22	32 Å²	32	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	168.3	163.6	65.3	156.2	0	0	0	109.4	L429 E430 F455 A596 D640	L429-H594 WeakPolarHBondContact CA-O 3.27Å; E430-H594 WeakPolarHBondContact CB-NE2 3.45Å; E430-H594 WeakPolarHBondContact CG-NE2 3.28Å; E430-H594 PolarHBondContact N-O 2.58Å; E430-H594 PolarHBondContact O-N 2.82Å; E430-H594 IonicContact OE1-NE2 2.69Å; E430-H594 IonicContact OE2-NE2 3.3Å; E430-H594 PolarHBondContact OE2-NE2 2.83Å; F455-H594 AromaticContact CD2-CD2 3.7Å; F455-H594 AromaticContact CD2-NE2 3.66Å; F455-H594 AromaticContact CE2-CD2 3.62Å; F455-H594 AromaticContact CE2-CE1 3.72Å; F455-H594 AromaticContact CE2-NE2 3.12Å; F455-H594 WeakPolarHBondContact CE2-NE2 3.06Å; F455-H594 AromaticContact CZ-CD2 3.99Å; F455-H594 AromaticContact CZ-CE1 3.66Å; F455-H594 AromaticContact CZ-NE2 3.54Å; H594-A596 PolarHBondContact O-N 3.29Å; H594-D640 HydrophobicContact CB-CB 3.95Å; H594-D640 IonicContact CG-OD1 3.58Å; H594-D640 IonicContact ND1-OD1 2.72Å; H594-D640 PolarHBondContact ND1-OD1 3.48Å; H594-D640 VanDerWaalsContact ND1-OD1 3.16Å
595	I	95.1	Very high	93.6	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125	171.8	-65.9	157.7	0	0	0	107.3	P427 L429 D598 T601 Y807 L811	P427-I595 HydrophobicContact CB-CG1 4.33Å; P427-I595 HydrophobicContact CB-CG2 3.93Å; L429-I595 HydrophobicContact CD2-CG1 4.34Å; I595-D598 HydrophobicContact CG2-CB 4.12Å; I595-T601 HydrophobicContact CB-CG2 4.36Å; I595-T601 HydrophobicContact CD1-CG2 4.34Å; I595-T601 HydrophobicContact CG2-CG2 4.43Å; I595-T601 WeakPolarHBondContact CG2-OG1 3.43Å; I595-Y807 HydrophobicContact CD1-CD2 4.39Å; I595-L811 HydrophobicContact CD1-CD1 3.97Å; I595-L811 HydrophobicContact CD1-CG 4.33Å; I595-L811 HydrophobicContact CG1-CD1 4.4Å; I595-L811 HydrophobicContact CG1-CD2 4.13Å; I595-L811 HydrophobicContact CG1-CG 4.41Å
596	A	92.7	Very high	93.2	Very high	7 Å²	7	34.7 Å²	34.7	6%	0.058	18%	0.182	C	C	.	.			trans	-61.3	160.7	174.4	0	0	0	0	0	110.1	A428 E430 V439 H594 D598	A428-A596 HydrophobicContact CB-CB 3.99Å; A428-A596 PolarHBondContact O-N 3.25Å; E430-A596 HydrophobicContact CB-CB 4.07Å; V439-A596 HydrophobicContact CG1-CB 3.96Å; V439-A596 HydrophobicContact CG2-CB 4.25Å; H594-A596 PolarHBondContact O-N 3.29Å; A596-D598 WeakPolarHBondContact O-CB 3.39Å; A596-D598 PolarHBondContact O-N 2.57Å
597	D	85.6	Confident	92.8	Very high	126 Å²	126	37 Å²	37	67%	0.674	21%	0.207	S	C	*	.	S	Bend	trans	-51.4	97.3	-173	-165.8	21.9	0	0	0	112.4	K602	D597-K602 VanDerWaalsContact CG-NZ 3.3Å; D597-K602 WeakPolarHBondContact OD1-CD 3.42Å; D597-K602 WeakPolarHBondContact OD1-CE 3.45Å; D597-K602 IonicContact OD1-NZ 3.84Å; D597-K602 PolarHBondContact OD1-NZ 3.43Å; D597-K602 IonicContact OD2-NZ 3.92Å; D597-K602 PolarHBondContact OD2-NZ 3.39Å
598	D	90.5	Very high	92.5	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	22%	0.224	C	C	.	.			trans	-122.5	141	-177.5	175.2	99.1	0	0	0	109.4	I595 A596 V600 T601 K602 Y807	I595-D598 HydrophobicContact CG2-CB 4.12Å; A596-D598 WeakPolarHBondContact O-CB 3.39Å; A596-D598 PolarHBondContact O-N 2.57Å; D598-V600 VanDerWaalsContact C-N 3.34Å; D598-V600 PolarHBondContact O-N 3.38Å; D598-V600 WeakPolarHBondContact OD2-CB 3.37Å; D598-V600 PolarHBondContact OD2-N 3.38Å; D598-T601 PolarHBondContact O-N 3.38Å; D598-K602 WeakPolarHBondContact O-CB 3.47Å; D598-K602 PolarHBondContact O-N 3.49Å; D598-Y807 HydrophobicContact CB-CE2 4.49Å; D598-Y807 PolarHBondContact OD1-OH 3.35Å; D598-Y807 VanDerWaalsContact OD2-CE2 3.31Å; D598-Y807 WeakPolarHBondContact OD2-CE2 3.42Å
599	F	91.9	Very high	92.3	Very high	147 Å²	147	40 Å²	40	65%	0.645	22%	0.219	S	C	*	.	H	α-helix	trans	-55.7	-43.5	-175.8	177.3	-97.2	0	0	0	113.5	T603	F599-T603 WeakPolarHBondContact CE2-OG1 3.42Å; F599-T603 HydrophobicContact CZ-CG2 4.26Å; F599-T603 WeakPolarHBondContact O-CB 3.35Å; F599-T603 PolarHBondContact O-N 2.94Å; F599-T603 PolarHBondContact O-OG1 2.91Å
600	V	91.7	Very high	92.5	Very high	22 Å²	22	38.9 Å²	38.9	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-52.5	-177.4	178	0	0	0	0	109.7	D598 K602 T603 H604 A803 I804 Y807	D598-V600 VanDerWaalsContact C-N 3.34Å; D598-V600 PolarHBondContact O-N 3.38Å; D598-V600 WeakPolarHBondContact OD2-CB 3.37Å; D598-V600 PolarHBondContact OD2-N 3.38Å; V600-K602 PolarHBondContact O-N 3.02Å; V600-T603 PolarHBondContact O-N 3.28Å; V600-H604 WeakPolarHBondContact O-CB 3.31Å; V600-H604 PolarHBondContact O-N 3.39Å; V600-A803 HydrophobicContact CG1-CB 3.97Å; V600-A803 HydrophobicContact CG2-CB 4.14Å; V600-I804 HydrophobicContact CG1-CG1 3.93Å; V600-Y807 HydrophobicContact CB-CE2 4.01Å; V600-Y807 HydrophobicContact CG2-CE2 4.42Å
601	T	90.2	Very high	92.6	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	21%	0.207	C	C	.	.	I	π-helix	trans	-62.6	-45.6	-178.5	-54.7	0	0	0	0	111.1	I595 D598 L605 I606	I595-T601 HydrophobicContact CB-CG2 4.36Å; I595-T601 HydrophobicContact CD1-CG2 4.34Å; I595-T601 HydrophobicContact CG2-CG2 4.43Å; I595-T601 WeakPolarHBondContact CG2-OG1 3.43Å; D598-T601 PolarHBondContact O-N 3.38Å; T601-L605 HydrophobicContact CG2-CB 4.46Å; T601-L605 HydrophobicContact CG2-CD1 4.32Å; T601-L605 CarbonylContact O-C 3.58Å; T601-L605 WeakPolarHBondContact O-CA 3.01Å; T601-L605 WeakPolarHBondContact O-CB 3.39Å; T601-L605 PolarHBondContact O-N 2.89Å; T601-I606 HydrophobicContact CG2-CD1 3.83Å; T601-I606 HydrophobicContact CG2-CG1 4.11Å; T601-I606 PolarHBondContact O-N 3.43Å
602	K	91.8	Very high	92.7	Very high	105 Å²	105	38.4 Å²	38.4	46%	0.457	20%	0.204	S	C	.	.	I	π-helix	trans	-65.1	-45	-179.4	-169.2	-172.6	-152.4	140.6	0	112.3	D597 D598 V600 G607	D597-K602 VanDerWaalsContact CG-NZ 3.3Å; D597-K602 WeakPolarHBondContact OD1-CD 3.42Å; D597-K602 WeakPolarHBondContact OD1-CE 3.45Å; D597-K602 IonicContact OD1-NZ 3.84Å; D597-K602 PolarHBondContact OD1-NZ 3.43Å; D597-K602 IonicContact OD2-NZ 3.92Å; D597-K602 PolarHBondContact OD2-NZ 3.39Å; D598-K602 WeakPolarHBondContact O-CB 3.47Å; D598-K602 PolarHBondContact O-N 3.49Å; V600-K602 PolarHBondContact O-N 3.02Å; K602-G607 VanDerWaalsContact O-CA 3.25Å; K602-G607 WeakPolarHBondContact O-CA 3.49Å; K602-G607 PolarHBondContact O-N 3.2Å
603	T	93	Very high	92.8	Very high	51 Å²	51	38.3 Å²	38.3	31%	0.313	20%	0.203	S	C	.	.	I	π-helix	trans	-82.1	-40.2	-172	-54	0	0	0	0	112.3	F599 V600 K608	F599-T603 WeakPolarHBondContact CE2-OG1 3.42Å; F599-T603 HydrophobicContact CZ-CG2 4.26Å; F599-T603 WeakPolarHBondContact O-CB 3.35Å; F599-T603 PolarHBondContact O-N 2.94Å; F599-T603 PolarHBondContact O-OG1 2.91Å; V600-T603 PolarHBondContact O-N 3.28Å; T603-K608 WeakPolarHBondContact O-CG 3.45Å
604	H	93.3	Very high	93	Very high	40 Å²	40	38 Å²	38	19%	0.185	20%	0.201	C	C	.	.	I	π-helix	trans	-107.1	-17.4	-170.1	-60.3	-82.8	0	0	0	114.1	V600 S610 Q682 V800 I804	V600-H604 WeakPolarHBondContact O-CB 3.31Å; V600-H604 PolarHBondContact O-N 3.39Å; H604-S610 PolarHBondContact O-OG 3.27Å; H604-Q682 PolarHBondContact O-NE2 3.36Å; H604-V800 HydrophobicContact CB-CG1 3.93Å; H604-I804 HydrophobicContact CB-CD1 4.14Å
605	L	92.3	Very high	93.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	20%	0.199	C	C	.	.	I	π-helix	trans	-108.9	-73.5	175.3	-62.9	175.6	0	0	0	111.4	T601 K608 C609 S610 V612 I684 I804	T601-L605 HydrophobicContact CG2-CB 4.46Å; T601-L605 HydrophobicContact CG2-CD1 4.32Å; T601-L605 CarbonylContact O-C 3.58Å; T601-L605 WeakPolarHBondContact O-CA 3.01Å; T601-L605 WeakPolarHBondContact O-CB 3.39Å; T601-L605 PolarHBondContact O-N 2.89Å; L605-K608 PolarHBondContact O-N 3.18Å; L605-C609 PolarHBondContact O-N 3.33Å; L605-S610 WeakPolarHBondContact CA-OG 3.19Å; L605-S610 VanDerWaalsContact O-CB 3.31Å; L605-S610 WeakPolarHBondContact O-CB 3.12Å; L605-S610 PolarHBondContact O-N 3.2Å; L605-S610 PolarHBondContact O-OG 2.95Å; L605-V612 HydrophobicContact CD2-CG2 4.14Å; L605-I684 HydrophobicContact CD2-CD1 3.94Å; L605-I804 HydrophobicContact CD1-CG1 4.31Å; L605-I804 HydrophobicContact CD1-CG2 4.33Å; L605-I804 HydrophobicContact CD2-CD1 3.98Å; L605-I804 HydrophobicContact CD2-CG1 4.25Å; L605-I804 HydrophobicContact CD2-CG2 4.11Å; L605-I804 HydrophobicContact CG-CD1 4.29Å; L605-I804 HydrophobicContact CG-CG1 4.22Å
606	I	89.4	Confident	93.3	Very high	53 Å²	53	37.7 Å²	37.7	27%	0.272	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.5	-48.9	-173.3	-63	171.8	0	0	0	110.8	T601 K608 C609 D639	T601-I606 HydrophobicContact CG2-CD1 3.83Å; T601-I606 HydrophobicContact CG2-CG1 4.11Å; T601-I606 PolarHBondContact O-N 3.43Å; I606-K608 PolarHBondContact O-N 3.29Å; I606-K608 VanDerWaalsContact O-N 3.09Å; I606-C609 PolarHBondContact O-N 2.87Å; I606-D639 WeakPolarHBondContact CG1-O 3.19Å; I606-D639 HydrophobicContact CG2-CB 4.31Å
607	G	87.6	Confident	93.2	Very high	53 Å²	53	40.1 Å²	40.1	55%	0.546	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-66.4	-10.1	-178.6	0	0	0	0	0	114.7	K602	K602-G607 VanDerWaalsContact O-CA 3.25Å; K602-G607 WeakPolarHBondContact O-CA 3.49Å; K602-G607 PolarHBondContact O-N 3.2Å
608	K	90.3	Very high	93.3	Very high	99 Å²	99	35.7 Å²	35.7	43%	0.43	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-109.9	5.7	178.8	-62.8	-62.4	-175	178.5	0	113.7	T603 L605 I606 S610 Q682	T603-K608 WeakPolarHBondContact O-CG 3.45Å; L605-K608 PolarHBondContact O-N 3.18Å; I606-K608 PolarHBondContact O-N 3.29Å; I606-K608 VanDerWaalsContact O-N 3.09Å; K608-S610 PolarHBondContact O-N 2.93Å; K608-Q682 HydrophobicContact CB-CB 4.18Å
609	C	92.9	Very high	92.8	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.061	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	59.6	-172.6	-55.7	0	0	0	0	110.6	L605 I606 Y672 R678 P680 Q681	L605-C609 PolarHBondContact O-N 3.33Å; I606-C609 PolarHBondContact O-N 2.87Å; C609-Y672 WeakPolarHBondContact CA-OH 3.07Å; C609-Y672 WeakPolarHBondContact CB-OH 3.02Å; C609-R678 PolarHBondContact SG-NH1 3.17Å; C609-P680 VanDerWaalsContact O-CA 3.29Å; C609-P680 WeakPolarHBondContact O-CA 3.16Å; C609-Q681 HydrophobicContact CB-CG 4.47Å; C609-Q681 PolarHBondContact O-N 3.21Å
610	S	97	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.5	-169.7	-62.3	0	0	0	0	112.8	H604 L605 K608 N636 Q682	H604-S610 PolarHBondContact O-OG 3.27Å; L605-S610 WeakPolarHBondContact CA-OG 3.19Å; L605-S610 VanDerWaalsContact O-CB 3.31Å; L605-S610 WeakPolarHBondContact O-CB 3.12Å; L605-S610 PolarHBondContact O-N 3.2Å; L605-S610 PolarHBondContact O-OG 2.95Å; K608-S610 PolarHBondContact O-N 2.93Å; S610-N636 PolarHBondContact O-ND2 3.18Å; S610-Q682 WeakPolarHBondContact CA-O 3.36Å; S610-Q682 PolarHBondContact OG-NE2 3.46Å
611	L	98.6	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.7	166.1	175.3	59.7	0	0	0	109.1	L613 N636 R668 I669 Y672 P680 Q682 V683 I684	L611-L613 HydrophobicContact CD1-CD2 3.64Å; L611-L613 HydrophobicContact CD1-CG 4.41Å; L611-L613 HydrophobicContact CD2-CD1 4.38Å; L611-L613 HydrophobicContact CD2-CD2 3.97Å; L611-L613 HydrophobicContact CD2-CG 4.34Å; L611-L613 HydrophobicContact CG-CD1 4.44Å; L611-L613 HydrophobicContact CG-CD2 3.63Å; L611-L613 HydrophobicContact CG-CG 3.92Å; L611-N636 WeakPolarHBondContact CD1-O 3.12Å; L611-R668 HydrophobicContact CD2-CB 4.46Å; L611-I669 HydrophobicContact CD2-CG1 3.86Å; L611-Y672 HydrophobicContact CB-CD2 4.37Å; L611-Y672 HydrophobicContact CD1-CD2 4.11Å; L611-Y672 HydrophobicContact CD1-CG 4.33Å; L611-P680 HydrophobicContact CB-CB 3.74Å; L611-P680 HydrophobicContact CB-CG 3.78Å; L611-P680 HydrophobicContact CD2-CB 4.49Å; L611-P680 HydrophobicContact CD2-CG 3.85Å; L611-P680 HydrophobicContact CG-CG 4.44Å; L611-Q682 PolarHBondContact N-O 3.39Å; L611-V683 HydrophobicContact CB-CG2 4.23Å; L611-V683 VanDerWaalsContact O-CA 3.27Å; L611-V683 WeakPolarHBondContact O-CA 3.38Å; L611-I684 PolarHBondContact O-N 3.02Å
612	V	98.7	Very high	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.9	175.8	-169.1	0	0	0	0	109.3	L605 G635 N636 I684 F686 L808 P824	L605-V612 HydrophobicContact CD2-CG2 4.14Å; V612-G635 WeakPolarHBondContact O-CA 3.34Å; V612-N636 WeakPolarHBondContact CA-OD1 3.41Å; V612-N636 PolarHBondContact N-OD1 2.88Å; V612-N636 PolarHBondContact O-N 2.86Å; V612-N636 PolarHBondContact O-OD1 3.19Å; V612-N636 VanDerWaalsContact O-OD1 3.08Å; V612-I684 CarbonylContact C-O 3.47Å; V612-I684 WeakPolarHBondContact CA-O 3.31Å; V612-F686 HydrophobicContact CG1-CD2 4.03Å; V612-F686 HydrophobicContact CG1-CE2 3.71Å; V612-L808 HydrophobicContact CG1-CD1 3.82Å; V612-P824 HydrophobicContact CB-CG 4.32Å; V612-P824 HydrophobicContact CG1-CB 4.5Å; V612-P824 HydrophobicContact CG1-CG 3.62Å
613	L	98.8	Very high	86.2	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.7	-176.2	-58.8	178.5	0	0	0	111.3	L611 L633 V634 F665 R668 V683 I684 L685 F686	L611-L613 HydrophobicContact CD1-CD2 3.64Å; L611-L613 HydrophobicContact CD1-CG 4.41Å; L611-L613 HydrophobicContact CD2-CD1 4.38Å; L611-L613 HydrophobicContact CD2-CD2 3.97Å; L611-L613 HydrophobicContact CD2-CG 4.34Å; L611-L613 HydrophobicContact CG-CD1 4.44Å; L611-L613 HydrophobicContact CG-CD2 3.63Å; L611-L613 HydrophobicContact CG-CG 3.92Å; L613-L633 HydrophobicContact CB-CD1 4.29Å; L613-V634 CarbonylContact C-O 3.32Å; L613-V634 WeakPolarHBondContact CA-O 3.46Å; L613-F665 HydrophobicContact CD1-CD1 3.7Å; L613-F665 HydrophobicContact CD1-CE1 3.65Å; L613-R668 HydrophobicContact CD2-CB 3.77Å; L613-R668 HydrophobicContact CD2-CG 3.94Å; L613-V683 HydrophobicContact CD1-CG1 3.68Å; L613-V683 HydrophobicContact CG-CG1 4.12Å; L613-I684 PolarHBondContact N-O 3.42Å; L613-L685 HydrophobicContact CB-CB 4.48Å; L613-L685 HydrophobicContact CB-CD1 3.6Å; L613-F686 PolarHBondContact O-N 3.2Å
614	A	98.8	Very high	83.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.5	161.5	0	0	0	0	0	111.7	L633 V634 F686 P824 V825 A828	A614-L633 WeakPolarHBondContact O-CA 3.09Å; A614-V634 PolarHBondContact N-O 3.2Å; A614-V634 PolarHBondContact O-N 2.74Å; A614-F686 CarbonylContact C-O 3.49Å; A614-F686 WeakPolarHBondContact CA-O 3.27Å; A614-F686 HydrophobicContact CB-CB 4.26Å; A614-P824 HydrophobicContact CB-CB 3.82Å; A614-P824 VanDerWaalsContact CB-O 3.3Å; A614-P824 WeakPolarHBondContact CB-O 3.46Å; A614-V825 HydrophobicContact CB-CB 4.39Å; A614-V825 HydrophobicContact CB-CG2 3.93Å; A614-A828 HydrophobicContact CB-CB 3.9Å
615	A	98.1	Very high	81.8	Confident	6 Å²	6	49.8 Å²	49.8	5%	0.05	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.8	174.8	0	0	0	0	0	110.3	V632 L633 L685 F686 V687 V688	A615-V632 VanDerWaalsContact CA-O 3.31Å; A615-V632 WeakPolarHBondContact CA-O 3.26Å; A615-L633 HydrophobicContact CB-CD1 3.89Å; A615-L685 HydrophobicContact CB-CD1 4.12Å; A615-F686 PolarHBondContact N-O 3.31Å; A615-V687 HydrophobicContact CB-CG1 4.48Å; A615-V688 WeakPolarHBondContact O-CG2 3.38Å; A615-V688 PolarHBondContact O-N 3.23Å
616	D	95.4	Very high	80	Confident	18 Å²	18	57.8 Å²	57.8	10%	0.096	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.6	175.5	-167.9	15.7	0	0	0	109.7	V632 V688 A828 Q829	D616-V632 PolarHBondContact N-O 2.66Å; D616-V632 PolarHBondContact O-N 2.48Å; D616-V688 HydrophobicContact CB-CB 3.97Å; D616-V688 HydrophobicContact CB-CG2 4.03Å; D616-A828 HydrophobicContact CB-CB 3.91Å; D616-Q829 WeakPolarHBondContact OD2-CA 3.22Å; D616-Q829 WeakPolarHBondContact OD2-CG 3.23Å
617	T	91	Very high	78.8	Confident	58 Å²	58	56.4 Å²	56.4	36%	0.356	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143	-178.3	67.8	0	0	0	0	110.4	L629 I630 R631	T617-L629 HydrophobicContact CG2-CD2 4.33Å; T617-I630 CarbonylContact C-O 3.51Å; T617-I630 VanDerWaalsContact CA-O 3.27Å; T617-I630 WeakPolarHBondContact CA-O 3.45Å; T617-R631 HydrophobicContact CG2-CB 4.49Å; T617-R631 HydrophobicContact CG2-CG 3.89Å
618	V	87.1	Confident	78	Confident	34 Å²	34	54.9 Å²	54.9	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.5	179.2	73.1	0	0	0	0	112.3	I630 C832 Q836	V618-I630 HydrophobicContact CG1-CB 3.87Å; V618-I630 HydrophobicContact CG1-CD1 4.38Å; V618-I630 HydrophobicContact CG1-CG2 4.42Å; V618-I630 PolarHBondContact N-O 3Å; V618-I630 PolarHBondContact O-N 3.16Å; V618-C832 HydrophobicContact CG1-CB 4.15Å; V618-Q836 HydrophobicContact CG1-CG 3.64Å
619	H	80.5	Confident	77.8	Confident	125 Å²	125	51.2 Å²	51.2	58%	0.579	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.6	177.3	-65.6	81.1	0	0	0	110.4	L629	H619-L629 HydrophobicContact CB-CD1 4.41Å
620	V	70.3	Confident	77.6	Confident	22 Å²	22	50.8 Å²	50.8	13%	0.133	30%	0.297	C	S	.	.			trans	-102.9	123.1	179.7	-179.1	0	0	0	0	109.8	S627 P628 I630 L839	V620-S627 WeakPolarHBondContact O-CB 3.49Å; V620-S627 PolarHBondContact O-OG 2.92Å; V620-P628 HydrophobicContact CB-CB 4.47Å; V620-P628 HydrophobicContact CB-CG 3.98Å; V620-P628 WeakPolarHBondContact CB-O 3.4Å; V620-P628 HydrophobicContact CG1-CG 4.34Å; V620-P628 WeakPolarHBondContact CG2-O 3.45Å; V620-P628 PolarHBondContact N-O 3.15Å; V620-I630 HydrophobicContact CG2-CD1 3.64Å; V620-I630 HydrophobicContact CG2-CG1 3.77Å; V620-L839 HydrophobicContact CB-CD2 4.12Å; V620-L839 HydrophobicContact CG1-CD2 3.56Å; V620-L839 HydrophobicContact CG1-CG 4.35Å; V620-L839 HydrophobicContact CG2-CD2 3.59Å
621	G	61.9	Low	77.4	Confident	68 Å²	68	51.5 Å²	51.5	70%	0.701	30%	0.3	S	S	*	.	S	Bend	trans	90.5	-157.9	176.3	0	0	0	0	0	114.2
622	S	52.3	Low	77.3	Confident	81 Å²	81	51.6 Å²	51.6	57%	0.566	30%	0.3	S	S	*	.	S	Bend	trans	-66.7	148.6	177.9	58.1	0	0	0	0	110.9	N624 S627	S622-N624 PolarHBondContact O-N 3.07Å; S622-S627 PolarHBondContact O-OG 3.33Å
623	T	43.7	Very low	77.2	Confident	137 Å²	137	51.7 Å²	51.7	84%	0.84	30%	0.301	S	S	*	.	S	Bend	trans	-64.5	24.1	-173.7	57.9	0	0	0	0	116.5
624	N	43.8	Very low	77.2	Confident	103 Å²	103	51.7 Å²	51.7	55%	0.551	30%	0.301	S	S	*	.	S	Bend	trans	-76	145.7	173.7	-67.3	-5.8	0	0	0	109.2	S622 E626 S627	S622-N624 PolarHBondContact O-N 3.07Å; N624-E626 PolarHBondContact O-N 3.17Å; N624-S627 VanDerWaalsContact O-CB 3.32Å; N624-S627 WeakPolarHBondContact O-CB 3.39Å; N624-S627 PolarHBondContact O-N 2.84Å
625	N	48.7	Very low	77.2	Confident	173 Å²	173	51.7 Å²	51.7	93%	0.925	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.6	-178.6	-71.3	-2.8	0	0	0	114.7
626	E	55.9	Low	77.2	Confident	173 Å²	173	51.5 Å²	51.5	81%	0.808	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.6	175.6	-63.1	179.5	169	0	0	112.9	N624	N624-E626 PolarHBondContact O-N 3.17Å
627	S	63.4	Low	77.3	Confident	23 Å²	23	51 Å²	51	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-71.8	132.8	178.7	-98.8	0	0	0	0	111.3	V620 S622 N624	V620-S627 WeakPolarHBondContact O-CB 3.49Å; V620-S627 PolarHBondContact O-OG 2.92Å; S622-S627 PolarHBondContact O-OG 3.33Å; N624-S627 VanDerWaalsContact O-CB 3.32Å; N624-S627 WeakPolarHBondContact O-CB 3.39Å; N624-S627 PolarHBondContact O-N 2.84Å
628	P	71.6	Confident	77.5	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.143	29%	0.287	C	S	.	.			trans	-58.9	143.9	177.8	11.2	-15.6	0	0	0	111.4	V620 E651 L652 L863	V620-P628 HydrophobicContact CB-CB 4.47Å; V620-P628 HydrophobicContact CB-CG 3.98Å; V620-P628 WeakPolarHBondContact CB-O 3.4Å; V620-P628 HydrophobicContact CG1-CG 4.34Å; V620-P628 WeakPolarHBondContact CG2-O 3.45Å; V620-P628 PolarHBondContact N-O 3.15Å; P628-E651 WeakPolarHBondContact CA-O 3.18Å; P628-L652 HydrophobicContact CB-CD2 3.83Å; P628-L652 HydrophobicContact CG-CD2 4.22Å; P628-L863 HydrophobicContact CB-CD1 3.62Å; P628-L863 HydrophobicContact CG-CD1 3.78Å; P628-L863 HydrophobicContact CG-CD2 4.44Å
629	L	84.1	Confident	77.7	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	175.7	-168.4	79.8	0	0	0	109	T617 H619 R631 A650 E651	T617-L629 HydrophobicContact CG2-CD2 4.33Å; H619-L629 HydrophobicContact CB-CD1 4.41Å; L629-R631 HydrophobicContact CD2-CG 3.95Å; L629-R631 VanDerWaalsContact CD2-CZ 3.42Å; L629-R631 HydrophobicContact CG-CG 4.46Å; L629-A650 WeakPolarHBondContact O-CA 3.34Å; L629-E651 PolarHBondContact N-O 3.4Å; L629-E651 PolarHBondContact O-N 3.26Å
630	I	89.7	Confident	78.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.7	167.3	-65.7	167.7	0	0	0	107.7	T617 V618 V620 V632 V648 D649 A835 Q836 L839	T617-I630 CarbonylContact C-O 3.51Å; T617-I630 VanDerWaalsContact CA-O 3.27Å; T617-I630 WeakPolarHBondContact CA-O 3.45Å; V618-I630 HydrophobicContact CG1-CB 3.87Å; V618-I630 HydrophobicContact CG1-CD1 4.38Å; V618-I630 HydrophobicContact CG1-CG2 4.42Å; V618-I630 PolarHBondContact N-O 3Å; V618-I630 PolarHBondContact O-N 3.16Å; V620-I630 HydrophobicContact CG2-CD1 3.64Å; V620-I630 HydrophobicContact CG2-CG1 3.77Å; I630-V632 HydrophobicContact CG2-CG2 4.14Å; I630-V648 HydrophobicContact CG2-CG1 4.15Å; I630-D649 CarbonylContact C-O 3.59Å; I630-D649 WeakPolarHBondContact CA-O 3.44Å; I630-A835 HydrophobicContact CD1-CB 4.04Å; I630-A835 HydrophobicContact CG2-CB 3.79Å; I630-Q836 HydrophobicContact CD1-CB 4.45Å; I630-Q836 HydrophobicContact CD1-CG 3.78Å; I630-L839 HydrophobicContact CD1-CD2 4.07Å
631	R	92.7	Very high	79.4	Confident	17 Å²	17	45.2 Å²	45.2	6%	0.064	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.4	173.1	-66.3	-164.3	175.6	69.9	-9.9	110.4	T617 L629 V648 D649 E651 E657 Q664	T617-R631 HydrophobicContact CG2-CB 4.49Å; T617-R631 HydrophobicContact CG2-CG 3.89Å; L629-R631 HydrophobicContact CD2-CG 3.95Å; L629-R631 VanDerWaalsContact CD2-CZ 3.42Å; L629-R631 HydrophobicContact CG-CG 4.46Å; R631-V648 WeakPolarHBondContact O-CA 3.34Å; R631-D649 PolarHBondContact N-O 3.34Å; R631-D649 PolarHBondContact O-N 2.81Å; R631-E651 WeakPolarHBondContact CD-OE1 3.43Å; R631-E651 IonicContact CZ-OE1 3.91Å; R631-E651 IonicContact CZ-OE2 3.42Å; R631-E651 IonicContact NE-OE1 3.7Å; R631-E651 IonicContact NH1-OE1 2.91Å; R631-E651 PolarHBondContact NH1-OE1 3.48Å; R631-E651 VanDerWaalsContact NH1-OE1 3.15Å; R631-E651 IonicContact NH1-OE2 3.2Å; R631-E651 PolarHBondContact NH1-OE2 3.26Å; R631-E651 IonicContact NH2-OE2 3.4Å; R631-E657 IonicContact CZ-OE1 3.81Å; R631-E657 VanDerWaalsContact CZ-OE1 3.26Å; R631-E657 IonicContact NE-OE1 3.45Å; R631-E657 PolarHBondContact NE-OE1 3.14Å; R631-E657 IonicContact NH2-OE1 2.66Å; R631-E657 PolarHBondContact NH2-OE1 3.38Å; R631-E657 IonicContact NH2-OE2 3.42Å; R631-Q664 PolarHBondContact O-NE2 2.96Å
632	V	95.8	Very high	80.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137	179.7	174.1	0	0	0	0	110.1	A615 D616 I630 V634 S647 V648 A828 A831 C832	A615-V632 VanDerWaalsContact CA-O 3.31Å; A615-V632 WeakPolarHBondContact CA-O 3.26Å; D616-V632 PolarHBondContact N-O 2.66Å; D616-V632 PolarHBondContact O-N 2.48Å; I630-V632 HydrophobicContact CG2-CG2 4.14Å; V632-V634 HydrophobicContact CG1-CG2 3.95Å; V632-S647 WeakPolarHBondContact CA-O 3.42Å; V632-V648 HydrophobicContact CG2-CB 4.42Å; V632-V648 HydrophobicContact CG2-CG1 4.09Å; V632-V648 HydrophobicContact CG2-CG2 4.04Å; V632-A828 HydrophobicContact CG1-CB 4.43Å; V632-A831 HydrophobicContact CG1-CB 3.67Å; V632-A831 HydrophobicContact CG2-CB 4.4Å; V632-C832 HydrophobicContact CG2-CB 4.39Å; V632-C832 WeakPolarHBondContact CG2-SG 3.14Å
633	L	98.2	Very high	82.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.6	166.5	-170.2	69.9	0	0	0	109.5	L613 A614 A615 S647 Q664 F665 R668 L685	L613-L633 HydrophobicContact CB-CD1 4.29Å; A614-L633 WeakPolarHBondContact O-CA 3.09Å; A615-L633 HydrophobicContact CB-CD1 3.89Å; L633-S647 PolarHBondContact N-O 3.41Å; L633-S647 PolarHBondContact O-N 3.16Å; L633-Q664 HydrophobicContact CB-CB 3.92Å; L633-Q664 HydrophobicContact CB-CG 4.48Å; L633-Q664 HydrophobicContact CD2-CB 3.74Å; L633-Q664 HydrophobicContact CG-CB 4.5Å; L633-F665 HydrophobicContact CD1-CE1 4.35Å; L633-F665 HydrophobicContact CD2-CD1 3.71Å; L633-F665 HydrophobicContact CD2-CE1 4.04Å; L633-F665 HydrophobicContact CD2-CG 4.1Å; L633-R668 HydrophobicContact CD2-CG 3.65Å; L633-R668 HydrophobicContact CG-CG 3.91Å; L633-L685 HydrophobicContact CD1-CD1 3.94Å
634	V	98.7	Very high	85.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.9	174.6	169.7	0	0	0	0	109.7	L613 A614 V632 Y644 E645 A646 F827 A828 A831	L613-V634 CarbonylContact C-O 3.32Å; L613-V634 WeakPolarHBondContact CA-O 3.46Å; A614-V634 PolarHBondContact N-O 3.2Å; A614-V634 PolarHBondContact O-N 2.74Å; V632-V634 HydrophobicContact CG1-CG2 3.95Å; V634-Y644 HydrophobicContact CG1-CD1 3.69Å; V634-Y644 HydrophobicContact CG1-CG 4.15Å; V634-E645 WeakPolarHBondContact CA-O 3.23Å; V634-A646 HydrophobicContact CG2-CB 3.76Å; V634-F827 HydrophobicContact CG1-CB 3.94Å; V634-F827 HydrophobicContact CG2-CB 4.48Å; V634-A828 HydrophobicContact CB-CB 4.26Å; V634-A828 HydrophobicContact CG2-CB 4.06Å; V634-A831 HydrophobicContact CG2-CB 4.48Å
635	G	98.6	Very high	88.1	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.9	174.3	0	0	0	0	0	112.5	V612 Y644 E645	V612-G635 WeakPolarHBondContact O-CA 3.34Å; G635-Y644 WeakPolarHBondContact O-CA 3.29Å; G635-E645 PolarHBondContact N-O 3.34Å; G635-E645 VanDerWaalsContact N-O 3.1Å; G635-E645 PolarHBondContact O-N 3.16Å; G635-E645 VanDerWaalsContact O-N 3.12Å
636	N	98	Very high	90.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.9	171.9	61	-58.4	0	0	0	111.2	S610 L611 V612 D638 C641 R643 Y644	S610-N636 PolarHBondContact O-ND2 3.18Å; L611-N636 WeakPolarHBondContact CD1-O 3.12Å; V612-N636 WeakPolarHBondContact CA-OD1 3.41Å; V612-N636 PolarHBondContact N-OD1 2.88Å; V612-N636 PolarHBondContact O-N 2.86Å; V612-N636 PolarHBondContact O-OD1 3.19Å; V612-N636 VanDerWaalsContact O-OD1 3.08Å; N636-D638 PolarHBondContact ND2-O 3.42Å; N636-C641 HydrophobicContact CB-CB 4.44Å; N636-R643 CarbonylContact C-O 3.55Å; N636-R643 WeakPolarHBondContact CA-O 3.42Å; N636-Y644 HydrophobicContact CB-CD1 4.12Å; N636-Y644 HydrophobicContact CB-CE1 3.75Å
637	T	96.8	Very high	92.4	Very high	9 Å²	9	14 Å²	14	6%	0.055	8%	0.075	C	C	.	.	S	Bend	trans	-111.1	-4.8	177.1	58.7	0	0	0	0	113.6	R643 E645 G675	T637-R643 PolarHBondContact N-O 3.49Å; T637-E645 HydrophobicContact CG2-CB 4.15Å; T637-E645 HydrophobicContact CG2-CG 3.81Å; T637-G675 WeakPolarHBondContact O-CA 3.11Å
638	D	94.7	Very high	93.8	Very high	26 Å²	26	14.5 Å²	14.5	14%	0.139	8%	0.077	C	C	.	.	S	Bend	trans	-129.3	160.2	-179.5	64.6	-38.1	0	0	0	111.7	N636 D640 C641 A642 R643	N636-D638 PolarHBondContact ND2-O 3.42Å; D638-D640 VanDerWaalsContact C-N 3.3Å; D638-D640 PolarHBondContact O-N 3.12Å; D638-C641 PolarHBondContact O-N 3.36Å; D638-A642 PolarHBondContact OD1-N 3.41Å; D638-A642 VanDerWaalsContact OD2-CB 3.31Å; D638-A642 WeakPolarHBondContact OD2-CB 3.26Å; D638-A642 PolarHBondContact OD2-N 2.92Å; D638-A642 VanDerWaalsContact OD2-N 3.09Å; D638-R643 PolarHBondContact OD1-N 3.4Å
639	D	92.4	Very high	94.7	Very high	33 Å²	33	15.5 Å²	15.5	18%	0.176	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.7	-179.1	-69.6	-44.3	0	0	0	113.1	I606 C641 Y672 R678	I606-D639 WeakPolarHBondContact CG1-O 3.19Å; I606-D639 HydrophobicContact CG2-CB 4.31Å; D639-C641 PolarHBondContact O-N 2.9Å; D639-Y672 PolarHBondContact OD1-OH 3.01Å; D639-R678 VanDerWaalsContact CG-NH2 3.31Å; D639-R678 IonicContact OD1-NH2 2.87Å; D639-R678 PolarHBondContact OD1-NH2 3.37Å; D639-R678 IonicContact OD2-CZ 3.64Å; D639-R678 IonicContact OD2-NH2 3.98Å; D639-R678 PolarHBondContact OD2-NH2 3.39Å
640	D	91.9	Very high	94.7	Very high	55 Å²	55	14.5 Å²	14.5	29%	0.294	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.8	179.8	-67.9	-62	0	0	0	113.5	H594 D638 A642	H594-D640 HydrophobicContact CB-CB 3.95Å; H594-D640 IonicContact CG-OD1 3.58Å; H594-D640 IonicContact ND1-OD1 2.72Å; H594-D640 PolarHBondContact ND1-OD1 3.48Å; H594-D640 VanDerWaalsContact ND1-OD1 3.16Å; D638-D640 VanDerWaalsContact C-N 3.3Å; D638-D640 PolarHBondContact O-N 3.12Å; D640-A642 HydrophobicContact CB-CB 4.27Å; D640-A642 PolarHBondContact O-N 2.97Å
641	C	93.9	Very high	94	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	8%	0.077	C	C	.	.	S	Bend	trans	54.6	35.8	-174.2	-61.9	0	0	0	0	112.7	N636 D638 D639 Y644 L808 L811	N636-C641 HydrophobicContact CB-CB 4.44Å; D638-C641 PolarHBondContact O-N 3.36Å; D639-C641 PolarHBondContact O-N 2.9Å; C641-Y644 WeakPolarHBondContact O-CE2 3.34Å; C641-Y644 PolarHBondContact O-OH 3.38Å; C641-Y644 VanDerWaalsContact O-OH 3.07Å; C641-L808 HydrophobicContact CB-CD2 3.99Å; C641-L811 HydrophobicContact CB-CD1 3.97Å
642	A	93	Very high	92.7	Very high	8 Å²	8	16.6 Å²	16.6	7%	0.066	9%	0.088	C	C	.	.			trans	-103.6	-13.8	-174.7	0	0	0	0	0	113.2	V591 D638 D640	V591-A642 HydrophobicContact CG1-CB 3.55Å; V591-A642 HydrophobicContact CG2-CB 4.36Å; D638-A642 PolarHBondContact OD1-N 3.41Å; D638-A642 VanDerWaalsContact OD2-CB 3.31Å; D638-A642 WeakPolarHBondContact OD2-CB 3.26Å; D638-A642 PolarHBondContact OD2-N 2.92Å; D638-A642 VanDerWaalsContact OD2-N 3.09Å; D640-A642 HydrophobicContact CB-CB 4.27Å; D640-A642 PolarHBondContact O-N 2.97Å
643	R	95.8	Very high	91.3	Very high	46 Å²	46	19.4 Å²	19.4	17%	0.174	11%	0.107	C	C	.	.			trans	-126.5	137.6	177.3	-66.2	-175.7	58.9	69.6	3.4	111	G589 G590 V591 N636 T637 D638	G589-R643 PolarHBondContact O-NH1 3.07Å; G590-R643 PolarHBondContact O-NH1 3.14Å; V591-R643 HydrophobicContact CG2-CG 3.9Å; N636-R643 CarbonylContact C-O 3.55Å; N636-R643 WeakPolarHBondContact CA-O 3.42Å; T637-R643 PolarHBondContact N-O 3.49Å; D638-R643 PolarHBondContact OD1-N 3.4Å
644	Y	97.9	Very high	89.9	Confident	1 Å²	1	23.6 Å²	23.6	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.7	-177.7	-65.9	-91.6	0	0	0	112	V634 G635 N636 C641 A823 P824 F827 M877	V634-Y644 HydrophobicContact CG1-CD1 3.69Å; V634-Y644 HydrophobicContact CG1-CG 4.15Å; G635-Y644 WeakPolarHBondContact O-CA 3.29Å; N636-Y644 HydrophobicContact CB-CD1 4.12Å; N636-Y644 HydrophobicContact CB-CE1 3.75Å; C641-Y644 WeakPolarHBondContact O-CE2 3.34Å; C641-Y644 PolarHBondContact O-OH 3.38Å; C641-Y644 VanDerWaalsContact O-OH 3.07Å; Y644-A823 HydrophobicContact CE2-CB 4.24Å; Y644-P824 HydrophobicContact CD1-CB 4.36Å; Y644-P824 HydrophobicContact CE1-CB 3.73Å; Y644-P824 HydrophobicContact CE1-CG 3.59Å; Y644-P824 WeakPolarHBondContact OH-CD 3.18Å; Y644-P824 WeakPolarHBondContact OH-CG 3.36Å; Y644-F827 HydrophobicContact CD1-CD2 4.2Å; Y644-F827 AromaticContact CD2-CD2 3.32Å; Y644-F827 HydrophobicContact CD2-CD2 3.32Å; Y644-F827 AromaticContact CD2-CE2 3.22Å; Y644-F827 HydrophobicContact CD2-CE2 3.22Å; Y644-F827 HydrophobicContact CD2-CZ 4.39Å; Y644-F827 AromaticContact CE2-CD2 3.78Å; Y644-F827 HydrophobicContact CE2-CD2 3.78Å; Y644-F827 AromaticContact CE2-CE2 3.5Å; Y644-F827 HydrophobicContact CE2-CE2 3.5Å; Y644-F827 VanDerWaalsContact CE2-CE2 3.5Å; Y644-F827 AromaticContact CG-CD2 3.54Å; Y644-F827 HydrophobicContact CG-CD2 3.54Å; Y644-F827 AromaticContact CG-CE2 3.96Å; Y644-F827 HydrophobicContact CG-CE2 3.96Å; Y644-M877 HydrophobicContact CD2-CE 4.15Å; Y644-M877 WeakPolarHBondContact O-CG 3.32Å
645	E	98.1	Very high	88.5	Confident	20 Å²	20	31.8 Å²	31.8	9%	0.093	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.4	172.7	-74.6	176.3	-165.6	0	0	109	V634 G635 T637 R668 S671	V634-E645 WeakPolarHBondContact CA-O 3.23Å; G635-E645 PolarHBondContact N-O 3.34Å; G635-E645 VanDerWaalsContact N-O 3.1Å; G635-E645 PolarHBondContact O-N 3.16Å; G635-E645 VanDerWaalsContact O-N 3.12Å; T637-E645 HydrophobicContact CG2-CB 4.15Å; T637-E645 HydrophobicContact CG2-CG 3.81Å; E645-R668 PolarHBondContact O-NH1 3.1Å; E645-R668 IonicContact OE2-NH1 3.75Å; E645-R668 PolarHBondContact OE2-NH1 3.01Å; E645-S671 VanDerWaalsContact OE2-CB 3.25Å; E645-S671 WeakPolarHBondContact OE2-CB 3.44Å; E645-S671 PolarHBondContact OE2-OG 3.15Å
646	A	98	Very high	87.4	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.7	-175.6	0	0	0	0	0	111.8	V634 V648 A831 F879	V634-A646 HydrophobicContact CG2-CB 3.76Å; A646-V648 HydrophobicContact CB-CG2 4.31Å; A646-A831 HydrophobicContact CB-CB 4.01Å; A646-F879 HydrophobicContact CB-CD1 3.91Å; A646-F879 HydrophobicContact CB-CE1 3.71Å
647	S	96.7	Very high	86.9	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.6	158.5	-60.4	0	0	0	0	108	V632 L633 Q664 E667 R668	V632-S647 WeakPolarHBondContact CA-O 3.42Å; L633-S647 PolarHBondContact N-O 3.41Å; L633-S647 PolarHBondContact O-N 3.16Å; S647-Q664 PolarHBondContact O-NE2 2.86Å; S647-E667 WeakPolarHBondContact CB-OE2 3.43Å; S647-E667 PolarHBondContact OG-OE2 2.72Å; S647-R668 PolarHBondContact OG-NE 3.42Å; S647-R668 PolarHBondContact OG-NH2 2.72Å
648	V	93.7	Very high	86.6	Confident	33 Å²	33	40.2 Å²	40.2	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.6	-175.2	-176.6	0	0	0	0	107.9	I630 R631 V632 A646 A835 I867	I630-V648 HydrophobicContact CG2-CG1 4.15Å; R631-V648 WeakPolarHBondContact O-CA 3.34Å; V632-V648 HydrophobicContact CG2-CB 4.42Å; V632-V648 HydrophobicContact CG2-CG1 4.09Å; V632-V648 HydrophobicContact CG2-CG2 4.04Å; A646-V648 HydrophobicContact CB-CG2 4.31Å; V648-A835 HydrophobicContact CG1-CB 3.67Å; V648-I867 HydrophobicContact CG1-CB 4.46Å; V648-I867 HydrophobicContact CG1-CD1 3.97Å; V648-I867 HydrophobicContact CG1-CG1 4.33Å
649	D	90.4	Very high	86.4	Confident	43 Å²	43	43.8 Å²	43.8	23%	0.23	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.7	173.9	-149	-18.7	0	0	0	111.2	I630 R631 T660	I630-D649 CarbonylContact C-O 3.59Å; I630-D649 WeakPolarHBondContact CA-O 3.44Å; R631-D649 PolarHBondContact N-O 3.34Å; R631-D649 PolarHBondContact O-N 2.81Å; D649-T660 HydrophobicContact CB-CG2 3.6Å; D649-T660 WeakPolarHBondContact OD2-CG2 3.34Å
650	A	84	Confident	86.4	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.4	174.5	0	0	0	0	0	108.7	L629 L863 I867	L629-A650 WeakPolarHBondContact O-CA 3.34Å; A650-L863 HydrophobicContact CB-CB 3.96Å; A650-I867 HydrophobicContact CB-CD1 3.4Å; A650-I867 VanDerWaalsContact CB-CD1 3.4Å
651	E	74.7	Confident	86.5	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.8	179.8	-63.1	-178.7	-145.6	0	0	110.9	P628 L629 R631 E657 T660	P628-E651 WeakPolarHBondContact CA-O 3.18Å; L629-E651 PolarHBondContact N-O 3.4Å; L629-E651 PolarHBondContact O-N 3.26Å; R631-E651 WeakPolarHBondContact CD-OE1 3.43Å; R631-E651 IonicContact CZ-OE1 3.91Å; R631-E651 IonicContact CZ-OE2 3.42Å; R631-E651 IonicContact NE-OE1 3.7Å; R631-E651 IonicContact NH1-OE1 2.91Å; R631-E651 PolarHBondContact NH1-OE1 3.48Å; R631-E651 VanDerWaalsContact NH1-OE1 3.15Å; R631-E651 IonicContact NH1-OE2 3.2Å; R631-E651 PolarHBondContact NH1-OE2 3.26Å; R631-E651 IonicContact NH2-OE2 3.4Å; E651-E657 VanDerWaalsContact OE2-CA 3.23Å; E651-E657 WeakPolarHBondContact OE2-CA 3.34Å; E651-E657 PolarHBondContact OE2-N 3.11Å; E651-T660 WeakPolarHBondContact OE1-CB 3.19Å; E651-T660 VanDerWaalsContact OE1-CG2 3.26Å; E651-T660 WeakPolarHBondContact OE1-CG2 3.48Å; E651-T660 PolarHBondContact OE1-OG1 2.63Å; E651-T660 VanDerWaalsContact OE1-OG1 3.05Å
652	L	65.7	Low	86.6	Confident	58 Å²	58	44.1 Å²	44.1	30%	0.304	24%	0.235	S	C	.	.	S	Bend	trans	-99.5	-20	173.6	-72.7	171.2	0	0	0	112.9	P628 G856 I859 L863	P628-L652 HydrophobicContact CB-CD2 3.83Å; P628-L652 HydrophobicContact CG-CD2 4.22Å; L652-G856 VanDerWaalsContact CD1-O 3.23Å; L652-G856 WeakPolarHBondContact CD1-O 3.48Å; L652-I859 HydrophobicContact CD1-CB 4.01Å; L652-I859 HydrophobicContact CD1-CG2 3.96Å; L652-I859 HydrophobicContact CD2-CG2 4.29Å; L652-L863 HydrophobicContact CD1-CD1 4.32Å; L652-L863 HydrophobicContact CD2-CD1 3.69Å; L652-L863 HydrophobicContact CG-CD1 4Å
653	C	65.7	Low	86.8	Confident	61 Å²	61	48 Å²	48	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	-140.6	145.4	-175.2	-171.5	0	0	0	0	111.4	E655 E656	C653-E655 PolarHBondContact O-N 3.27Å; C653-E656 PolarHBondContact O-N 2.87Å
654	S	68.7	Low	86.8	Confident	88 Å²	88	46.1 Å²	46.1	62%	0.615	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-65.5	-19.1	178.6	54.3	0	0	0	0	114.3	E656 E657	S654-E656 VanDerWaalsContact C-N 3.25Å; S654-E656 PolarHBondContact O-N 3.43Å; S654-E657 WeakPolarHBondContact O-CB 3.38Å; S654-E657 PolarHBondContact O-N 3.49Å
655	E	69.7	Low	86.9	Confident	172 Å²	172	46.1 Å²	46.1	80%	0.804	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.8	-23.9	-178.6	-66.3	-173.7	170.6	0	0	113.3	C653	C653-E655 PolarHBondContact O-N 3.27Å
656	E	76	Confident	86.9	Confident	98 Å²	98	48.7 Å²	48.7	46%	0.458	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-86.4	-15	-179.2	-66.2	-179.6	167.1	0	0	113	C653 S654 L658 T659 T660	C653-E656 PolarHBondContact O-N 2.87Å; S654-E656 VanDerWaalsContact C-N 3.25Å; S654-E656 PolarHBondContact O-N 3.43Å; E656-L658 VanDerWaalsContact C-N 3.34Å; E656-L658 PolarHBondContact O-N 3.46Å; E656-T659 WeakPolarHBondContact O-CB 3.49Å; E656-T659 PolarHBondContact O-N 3.49Å; E656-T660 PolarHBondContact O-N 2.93Å; E656-T660 PolarHBondContact O-OG1 2.83Å
657	E	87	Confident	86.9	Confident	39 Å²	39	50.2 Å²	50.2	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-44.6	-170.2	173.4	169.2	-128.3	0	0	113	R631 E651 S654 T659 T660 L661	R631-E657 IonicContact CZ-OE1 3.81Å; R631-E657 VanDerWaalsContact CZ-OE1 3.26Å; R631-E657 IonicContact NE-OE1 3.45Å; R631-E657 PolarHBondContact NE-OE1 3.14Å; R631-E657 IonicContact NH2-OE1 2.66Å; R631-E657 PolarHBondContact NH2-OE1 3.38Å; R631-E657 IonicContact NH2-OE2 3.42Å; E651-E657 VanDerWaalsContact OE2-CA 3.23Å; E651-E657 WeakPolarHBondContact OE2-CA 3.34Å; E651-E657 PolarHBondContact OE2-N 3.11Å; S654-E657 WeakPolarHBondContact O-CB 3.38Å; S654-E657 PolarHBondContact O-N 3.49Å; E657-T659 VanDerWaalsContact C-N 3.3Å; E657-T659 PolarHBondContact O-N 3.42Å; E657-T660 PolarHBondContact O-N 2.96Å; E657-L661 HydrophobicContact CG-CD1 3.5Å; E657-L661 VanDerWaalsContact CG-CD1 3.5Å; E657-L661 HydrophobicContact CG-CG 4.15Å; E657-L661 WeakPolarHBondContact O-CB 2.94Å; E657-L661 WeakPolarHBondContact O-CG 3.44Å; E657-L661 PolarHBondContact O-N 3.07Å
658	L	90	Very high	86.9	Confident	51 Å²	51	50.3 Å²	50.3	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-39.3	-178.6	-175.3	66	0	0	0	111.7	E656 K662 K704 A705 L708	E656-L658 VanDerWaalsContact C-N 3.34Å; E656-L658 PolarHBondContact O-N 3.46Å; L658-K662 VanDerWaalsContact O-CB 3.26Å; L658-K662 WeakPolarHBondContact O-CB 3.32Å; L658-K662 PolarHBondContact O-N 2.85Å; L658-K704 HydrophobicContact CD1-CB 4.13Å; L658-K704 HydrophobicContact CD1-CD 4.02Å; L658-K704 HydrophobicContact CD1-CG 4Å; L658-K704 HydrophobicContact CD2-CD 3.96Å; L658-A705 HydrophobicContact CD1-CB 3.9Å; L658-L708 HydrophobicContact CD1-CD1 4.27Å; L658-L708 HydrophobicContact CD2-CD1 4.08Å; L658-L708 HydrophobicContact CG-CD1 4.22Å
659	T	91.2	Very high	87.2	Confident	101 Å²	101	48.8 Å²	48.8	62%	0.62	25%	0.252	S	S	*	.	H	α-helix	trans	-69.7	-46.7	-179.7	-60.5	0	0	0	0	110.5	E656 E657 K662 Q663	E656-T659 WeakPolarHBondContact O-CB 3.49Å; E656-T659 PolarHBondContact O-N 3.49Å; E657-T659 VanDerWaalsContact C-N 3.3Å; E657-T659 PolarHBondContact O-N 3.42Å; T659-K662 PolarHBondContact O-N 2.75Å; T659-Q663 PolarHBondContact O-N 3.04Å
660	T	91.8	Very high	87.6	Confident	13 Å²	13	50 Å²	50	8%	0.08	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-52	176.2	-56.7	0	0	0	0	111.1	D649 E651 E656 E657 K662 Q663 Q664	D649-T660 HydrophobicContact CB-CG2 3.6Å; D649-T660 WeakPolarHBondContact OD2-CG2 3.34Å; E651-T660 WeakPolarHBondContact OE1-CB 3.19Å; E651-T660 VanDerWaalsContact OE1-CG2 3.26Å; E651-T660 WeakPolarHBondContact OE1-CG2 3.48Å; E651-T660 PolarHBondContact OE1-OG1 2.63Å; E651-T660 VanDerWaalsContact OE1-OG1 3.05Å; E656-T660 PolarHBondContact O-N 2.93Å; E656-T660 PolarHBondContact O-OG1 2.83Å; E657-T660 PolarHBondContact O-N 2.96Å; T660-K662 VanDerWaalsContact C-N 3.34Å; T660-K662 PolarHBondContact O-N 3.47Å; T660-Q663 WeakPolarHBondContact O-CB 3.31Å; T660-Q663 PolarHBondContact O-N 2.9Å; T660-Q663 VanDerWaalsContact O-N 3.09Å; T660-Q664 HydrophobicContact CG2-CG 4.32Å; T660-Q664 WeakPolarHBondContact O-CG 3.46Å; T660-Q664 PolarHBondContact O-N 2.87Å
661	L	95	Very high	88.2	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-41.5	-179.3	-69.3	169.6	0	0	0	111.9	E657 Q663 Q664 F665 K702 A705	E657-L661 HydrophobicContact CG-CD1 3.5Å; E657-L661 VanDerWaalsContact CG-CD1 3.5Å; E657-L661 HydrophobicContact CG-CG 4.15Å; E657-L661 WeakPolarHBondContact O-CB 2.94Å; E657-L661 WeakPolarHBondContact O-CG 3.44Å; E657-L661 PolarHBondContact O-N 3.07Å; L661-Q663 VanDerWaalsContact C-N 3.28Å; L661-Q663 PolarHBondContact O-N 2.85Å; L661-Q664 PolarHBondContact O-N 2.96Å; L661-F665 HydrophobicContact CB-CD2 4.48Å; L661-F665 HydrophobicContact CB-CE2 4.42Å; L661-F665 WeakPolarHBondContact O-CD2 3.31Å; L661-F665 PolarHBondContact O-N 3.3Å; L661-K702 HydrophobicContact CD1-CD 3.86Å; L661-K702 VanDerWaalsContact CD1-NZ 3.35Å; L661-K702 HydrophobicContact CD2-CD 4.2Å; L661-A705 HydrophobicContact CB-CB 3.5Å; L661-A705 VanDerWaalsContact CB-CB 3.5Å; L661-A705 HydrophobicContact CD1-CB 4.37Å
662	K	96.1	Very high	89.3	Confident	80 Å²	80	50.7 Å²	50.7	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-55.5	-46.1	174	175.3	-171.4	176.3	-179.1	0	110.7	L658 T659 T660 R666 L708 A709	L658-K662 VanDerWaalsContact O-CB 3.26Å; L658-K662 WeakPolarHBondContact O-CB 3.32Å; L658-K662 PolarHBondContact O-N 2.85Å; T659-K662 PolarHBondContact O-N 2.75Å; T660-K662 VanDerWaalsContact C-N 3.34Å; T660-K662 PolarHBondContact O-N 3.47Å; K662-R666 WeakPolarHBondContact O-CB 3.37Å; K662-R666 PolarHBondContact O-N 3.27Å; K662-L708 HydrophobicContact CD-CB 3.87Å; K662-L708 HydrophobicContact CG-CB 4Å; K662-A709 HydrophobicContact CG-CB 4.24Å; K662-A709 VanDerWaalsContact O-CB 3.25Å; K662-A709 WeakPolarHBondContact O-CB 3.3Å
663	Q	96.1	Very high	90.8	Very high	90 Å²	90	53.9 Å²	53.9	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-66.5	-45.3	178.7	179.9	57.6	22.2	0	0	111.6	T659 T660 L661 F665 R666 E667	T659-Q663 PolarHBondContact O-N 3.04Å; T660-Q663 WeakPolarHBondContact O-CB 3.31Å; T660-Q663 PolarHBondContact O-N 2.9Å; T660-Q663 VanDerWaalsContact O-N 3.09Å; L661-Q663 VanDerWaalsContact C-N 3.28Å; L661-Q663 PolarHBondContact O-N 2.85Å; Q663-F665 PolarHBondContact O-N 3.01Å; Q663-R666 WeakPolarHBondContact O-CB 3.35Å; Q663-R666 PolarHBondContact O-N 3.32Å; Q663-E667 PolarHBondContact NE2-OE1 3.29Å; Q663-E667 WeakPolarHBondContact O-CG 3.24Å; Q663-E667 PolarHBondContact O-N 3.12Å
664	Q	97.3	Very high	92.3	Very high	7 Å²	7	56.1 Å²	56.1	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-47.9	177.7	-68.6	-172.8	-28	0	0	111.7	R631 L633 S647 T660 L661 R666 E667 R668	R631-Q664 PolarHBondContact O-NE2 2.96Å; L633-Q664 HydrophobicContact CB-CB 3.92Å; L633-Q664 HydrophobicContact CB-CG 4.48Å; L633-Q664 HydrophobicContact CD2-CB 3.74Å; L633-Q664 HydrophobicContact CG-CB 4.5Å; S647-Q664 PolarHBondContact O-NE2 2.86Å; T660-Q664 HydrophobicContact CG2-CG 4.32Å; T660-Q664 WeakPolarHBondContact O-CG 3.46Å; T660-Q664 PolarHBondContact O-N 2.87Å; L661-Q664 PolarHBondContact O-N 2.96Å; Q664-R666 VanDerWaalsContact C-N 3.33Å; Q664-R666 PolarHBondContact O-N 3.09Å; Q664-E667 PolarHBondContact O-N 2.93Å; Q664-R668 WeakPolarHBondContact O-CG 3.42Å; Q664-R668 PolarHBondContact O-N 2.86Å
665	F	98.6	Very high	93.5	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-44.5	175.6	-79.3	-60.5	0	0	0	111.9	L613 L633 L661 Q663 E667 R668 I669 L685 A705 F706 A709	L613-F665 HydrophobicContact CD1-CD1 3.7Å; L613-F665 HydrophobicContact CD1-CE1 3.65Å; L633-F665 HydrophobicContact CD1-CE1 4.35Å; L633-F665 HydrophobicContact CD2-CD1 3.71Å; L633-F665 HydrophobicContact CD2-CE1 4.04Å; L633-F665 HydrophobicContact CD2-CG 4.1Å; L661-F665 HydrophobicContact CB-CD2 4.48Å; L661-F665 HydrophobicContact CB-CE2 4.42Å; L661-F665 WeakPolarHBondContact O-CD2 3.31Å; L661-F665 PolarHBondContact O-N 3.3Å; Q663-F665 PolarHBondContact O-N 3.01Å; F665-E667 VanDerWaalsContact C-N 3.33Å; F665-E667 PolarHBondContact O-N 3.46Å; F665-R668 PolarHBondContact O-N 2.92Å; F665-I669 WeakPolarHBondContact O-CD1 3.42Å; F665-I669 VanDerWaalsContact O-CG1 3.25Å; F665-I669 WeakPolarHBondContact O-CG1 3.42Å; F665-I669 PolarHBondContact O-N 3.07Å; F665-L685 HydrophobicContact CE1-CD1 4.49Å; F665-L685 HydrophobicContact CE1-CD2 4.19Å; F665-L685 HydrophobicContact CZ-CD2 3.88Å; F665-A705 HydrophobicContact CD2-CB 4.01Å; F665-A705 HydrophobicContact CE2-CB 3.95Å; F665-F706 HydrophobicContact CB-CD2 4.4Å; F665-F706 AromaticContact CD1-CD2 3.69Å; F665-F706 HydrophobicContact CD1-CD2 3.69Å; F665-F706 HydrophobicContact CD1-CE2 4.46Å; F665-F706 HydrophobicContact CD2-CB 4.05Å; F665-F706 HydrophobicContact CE1-CB 4.44Å; F665-F706 HydrophobicContact CE1-CD2 4.04Å; F665-F706 HydrophobicContact CE2-CB 4Å; F665-F706 HydrophobicContact CG-CB 4.33Å; F665-F706 AromaticContact CG-CD2 3.99Å; F665-F706 HydrophobicContact CG-CD2 3.99Å; F665-F706 HydrophobicContact CZ-CB 4.2Å; F665-A709 HydrophobicContact CB-CB 3.56Å
666	R	98.3	Very high	94.8	Very high	74 Å²	74	47.6 Å²	47.6	28%	0.279	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-46.3	177.7	-179	-175.5	172.5	84.5	2.6	111.2	K662 Q663 Q664 I669 L670 A709 S712 L713	K662-R666 WeakPolarHBondContact O-CB 3.37Å; K662-R666 PolarHBondContact O-N 3.27Å; Q663-R666 WeakPolarHBondContact O-CB 3.35Å; Q663-R666 PolarHBondContact O-N 3.32Å; Q664-R666 VanDerWaalsContact C-N 3.33Å; Q664-R666 PolarHBondContact O-N 3.09Å; R666-I669 PolarHBondContact O-N 2.61Å; R666-L670 HydrophobicContact CG-CD1 4.06Å; R666-L670 WeakPolarHBondContact O-CB 3.37Å; R666-L670 WeakPolarHBondContact O-CG 3.5Å; R666-L670 PolarHBondContact O-N 2.66Å; R666-A709 HydrophobicContact CB-CB 4.28Å; R666-S712 PolarHBondContact NH1-O 3.2Å; R666-S712 PolarHBondContact NH1-OG 3.39Å; R666-L713 HydrophobicContact CG-CD1 4.34Å; R666-L713 HydrophobicContact CG-CD2 4.04Å; R666-L713 HydrophobicContact CG-CG 4.21Å; R666-L713 VanDerWaalsContact NH1-CD2 3.25Å
667	E	97.8	Very high	95.7	Very high	35 Å²	35	46 Å²	46	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-47.9	178	-72.4	179.7	178.5	0	0	111.9	S647 Q663 Q664 F665 I669 L670 S671 R874	S647-E667 WeakPolarHBondContact CB-OE2 3.43Å; S647-E667 PolarHBondContact OG-OE2 2.72Å; Q663-E667 PolarHBondContact NE2-OE1 3.29Å; Q663-E667 WeakPolarHBondContact O-CG 3.24Å; Q663-E667 PolarHBondContact O-N 3.12Å; Q664-E667 PolarHBondContact O-N 2.93Å; F665-E667 VanDerWaalsContact C-N 3.33Å; F665-E667 PolarHBondContact O-N 3.46Å; E667-I669 VanDerWaalsContact C-N 3.33Å; E667-I669 PolarHBondContact O-N 2.85Å; E667-L670 PolarHBondContact O-N 2.95Å; E667-S671 PolarHBondContact O-N 3.4Å; E667-S671 PolarHBondContact O-OG 3.47Å; E667-R874 IonicContact OE1-NH2 2.64Å; E667-R874 PolarHBondContact OE1-NH2 3.17Å; E667-R874 IonicContact OE2-NH2 3.16Å; E667-R874 PolarHBondContact OE2-NH2 2.91Å
668	R	98.2	Very high	96.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-40.7	179.3	-60.9	-55.8	93	-141.1	-5.1	112	L611 L613 L633 E645 S647 Q664 F665 S671 Y672	L611-R668 HydrophobicContact CD2-CB 4.46Å; L613-R668 HydrophobicContact CD2-CB 3.77Å; L613-R668 HydrophobicContact CD2-CG 3.94Å; L633-R668 HydrophobicContact CD2-CG 3.65Å; L633-R668 HydrophobicContact CG-CG 3.91Å; E645-R668 PolarHBondContact O-NH1 3.1Å; E645-R668 IonicContact OE2-NH1 3.75Å; E645-R668 PolarHBondContact OE2-NH1 3.01Å; S647-R668 PolarHBondContact OG-NE 3.42Å; S647-R668 PolarHBondContact OG-NH2 2.72Å; Q664-R668 WeakPolarHBondContact O-CG 3.42Å; Q664-R668 PolarHBondContact O-N 2.86Å; F665-R668 PolarHBondContact O-N 2.92Å; R668-S671 PolarHBondContact O-N 3Å; R668-Y672 PolarHBondContact O-N 3Å
669	I	98.6	Very high	96.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.5	-66.8	162.6	0	0	0	110.9	L611 F665 R666 E667 Y672 R673 P680 F706 L713 Y717	L611-I669 HydrophobicContact CD2-CG1 3.86Å; F665-I669 WeakPolarHBondContact O-CD1 3.42Å; F665-I669 VanDerWaalsContact O-CG1 3.25Å; F665-I669 WeakPolarHBondContact O-CG1 3.42Å; F665-I669 PolarHBondContact O-N 3.07Å; R666-I669 PolarHBondContact O-N 2.61Å; E667-I669 VanDerWaalsContact C-N 3.33Å; E667-I669 PolarHBondContact O-N 2.85Å; I669-Y672 PolarHBondContact O-N 3.4Å; I669-R673 WeakPolarHBondContact O-CB 3.32Å; I669-R673 PolarHBondContact O-N 3.25Å; I669-P680 HydrophobicContact CG2-CG 4.28Å; I669-F706 HydrophobicContact CD1-CE2 4.23Å; I669-L713 HydrophobicContact CB-CD1 3.84Å; I669-L713 HydrophobicContact CD1-CD1 4.03Å; I669-L713 HydrophobicContact CG2-CD1 3.45Å; I669-L713 VanDerWaalsContact CG2-CD1 3.45Å; I669-Y717 HydrophobicContact CD1-CE1 4.41Å; I669-Y717 HydrophobicContact CG2-CE1 4.13Å
670	L	98.2	Very high	96.6	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.356	25%	0.25	S	C	.	.	H	α-helix	trans	-66.9	-40.6	177.8	-72.7	173.6	0	0	0	112.3	R666 E667 R673 S674 L713	R666-L670 HydrophobicContact CG-CD1 4.06Å; R666-L670 WeakPolarHBondContact O-CB 3.37Å; R666-L670 WeakPolarHBondContact O-CG 3.5Å; R666-L670 PolarHBondContact O-N 2.66Å; E667-L670 PolarHBondContact O-N 2.95Å; L670-R673 PolarHBondContact O-N 3.45Å; L670-S674 WeakPolarHBondContact O-CB 3.38Å; L670-S674 PolarHBondContact O-N 3.2Å; L670-L713 HydrophobicContact CD1-CD2 4.16Å; L670-L713 HydrophobicContact CD2-CD2 3.6Å; L670-L713 HydrophobicContact CG-CD2 3.86Å
671	S	97.7	Very high	96.8	Very high	19 Å²	19	51 Å²	51	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-44.9	174.9	-72.3	0	0	0	0	111.5	E645 E667 R668 R673 S674 G675	E645-S671 VanDerWaalsContact OE2-CB 3.25Å; E645-S671 WeakPolarHBondContact OE2-CB 3.44Å; E645-S671 PolarHBondContact OE2-OG 3.15Å; E667-S671 PolarHBondContact O-N 3.4Å; E667-S671 PolarHBondContact O-OG 3.47Å; R668-S671 PolarHBondContact O-N 3Å; S671-R673 PolarHBondContact O-N 2.9Å; S671-S674 PolarHBondContact O-N 2.86Å; S671-G675 PolarHBondContact O-N 3.44Å
672	Y	98.1	Very high	96.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-44.6	174.4	179.6	-84.9	0	0	0	111.9	C609 L611 D639 R668 I669 S674 G675 T676 R678 P680	C609-Y672 WeakPolarHBondContact CA-OH 3.07Å; C609-Y672 WeakPolarHBondContact CB-OH 3.02Å; L611-Y672 HydrophobicContact CB-CD2 4.37Å; L611-Y672 HydrophobicContact CD1-CD2 4.11Å; L611-Y672 HydrophobicContact CD1-CG 4.33Å; D639-Y672 PolarHBondContact OD1-OH 3.01Å; R668-Y672 PolarHBondContact O-N 3Å; I669-Y672 PolarHBondContact O-N 3.4Å; Y672-S674 VanDerWaalsContact C-N 3.29Å; Y672-S674 PolarHBondContact O-N 3.41Å; Y672-G675 PolarHBondContact O-N 3.01Å; Y672-T676 HydrophobicContact CD1-CG2 4.28Å; Y672-T676 HydrophobicContact CD2-CG2 4.1Å; Y672-T676 HydrophobicContact CE1-CG2 3.97Å; Y672-T676 VanDerWaalsContact CE1-OG1 3.29Å; Y672-T676 WeakPolarHBondContact CE1-OG1 3.4Å; Y672-T676 HydrophobicContact CE2-CG2 3.72Å; Y672-T676 HydrophobicContact CG-CG2 4.38Å; Y672-T676 PolarHBondContact O-N 3.43Å; Y672-T676 PolarHBondContact O-OG1 3.33Å; Y672-R678 WeakPolarHBondContact CD1-O 3.36Å; Y672-P680 HydrophobicContact CD1-CB 4.31Å; Y672-P680 HydrophobicContact CD1-CG 3.44Å; Y672-P680 VanDerWaalsContact CD1-CG 3.44Å; Y672-P680 HydrophobicContact CE1-CB 4.28Å; Y672-P680 HydrophobicContact CE1-CG 3.89Å; Y672-P680 HydrophobicContact CG-CG 3.95Å
673	R	97	Very high	97	Very high	125 Å²	125	47.6 Å²	47.6	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-40.2	175.6	-173.7	-168.9	-179.2	172.3	-3.3	112.1	I669 L670 S671 G675 G677 R678 N679	I669-R673 WeakPolarHBondContact O-CB 3.32Å; I669-R673 PolarHBondContact O-N 3.25Å; L670-R673 PolarHBondContact O-N 3.45Å; S671-R673 PolarHBondContact O-N 2.9Å; R673-G675 VanDerWaalsContact C-N 3.32Å; R673-G677 WeakPolarHBondContact O-CA 3.45Å; R673-G677 PolarHBondContact O-N 2.92Å; R673-R678 VanDerWaalsContact CA-O 3.29Å; R673-R678 WeakPolarHBondContact CA-O 3.31Å; R673-N679 WeakPolarHBondContact CD-OD1 3.31Å
674	S	96.8	Very high	97.1	Very high	108 Å²	108	43.3 Å²	43.3	76%	0.755	24%	0.241	S	C	*	.	H	α-helix	trans	-65.9	-35.8	177.6	-171.2	0	0	0	0	112.2	L670 S671 Y672	L670-S674 WeakPolarHBondContact O-CB 3.38Å; L670-S674 PolarHBondContact O-N 3.2Å; S671-S674 PolarHBondContact O-N 2.86Å; Y672-S674 VanDerWaalsContact C-N 3.29Å; Y672-S674 PolarHBondContact O-N 3.41Å
675	G	95	Very high	97.2	Very high	54 Å²	54	43 Å²	43	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-82.1	-33.3	-179.3	0	0	0	0	0	114.5	T637 S671 Y672 R673	T637-G675 WeakPolarHBondContact O-CA 3.11Å; S671-G675 PolarHBondContact O-N 3.44Å; Y672-G675 PolarHBondContact O-N 3.01Å; R673-G675 VanDerWaalsContact C-N 3.32Å
676	T	95.7	Very high	97.2	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	24%	0.239	C	C	.	.	H	α-helix	trans	-106.8	-13.8	-175.5	66.8	0	0	0	0	114.3	Y672 R678	Y672-T676 HydrophobicContact CD1-CG2 4.28Å; Y672-T676 HydrophobicContact CD2-CG2 4.1Å; Y672-T676 HydrophobicContact CE1-CG2 3.97Å; Y672-T676 VanDerWaalsContact CE1-OG1 3.29Å; Y672-T676 WeakPolarHBondContact CE1-OG1 3.4Å; Y672-T676 HydrophobicContact CE2-CG2 3.72Å; Y672-T676 HydrophobicContact CG-CG2 4.38Å; Y672-T676 PolarHBondContact O-N 3.43Å; Y672-T676 PolarHBondContact O-OG1 3.33Å; T676-R678 PolarHBondContact O-N 3.47Å; T676-R678 PolarHBondContact OG1-N 3.42Å; T676-R678 PolarHBondContact OG1-O 3.27Å
677	G	95.5	Very high	97.2	Very high	64 Å²	64	39.6 Å²	39.6	66%	0.66	23%	0.227	S	C	*	.	S	Bend	trans	73.1	1.3	-170.9	0	0	0	0	0	114.5	R673	R673-G677 WeakPolarHBondContact O-CA 3.45Å; R673-G677 PolarHBondContact O-N 2.92Å
678	R	94.4	Very high	97.1	Very high	109 Å²	109	38.1 Å²	38.1	41%	0.411	22%	0.22	S	C	.	.	S	Bend	trans	-126.1	148	-172.9	-62.1	-177.8	-68.6	174.7	2.3	111.3	C609 D639 Y672 R673 T676	C609-R678 PolarHBondContact SG-NH1 3.17Å; D639-R678 VanDerWaalsContact CG-NH2 3.31Å; D639-R678 IonicContact OD1-NH2 2.87Å; D639-R678 PolarHBondContact OD1-NH2 3.37Å; D639-R678 IonicContact OD2-CZ 3.64Å; D639-R678 IonicContact OD2-NH2 3.98Å; D639-R678 PolarHBondContact OD2-NH2 3.39Å; Y672-R678 WeakPolarHBondContact CD1-O 3.36Å; R673-R678 VanDerWaalsContact CA-O 3.29Å; R673-R678 WeakPolarHBondContact CA-O 3.31Å; T676-R678 PolarHBondContact O-N 3.47Å; T676-R678 PolarHBondContact OG1-N 3.42Å; T676-R678 PolarHBondContact OG1-O 3.27Å
679	N	94.6	Very high	96.7	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.364	23%	0.234	S	C	.	.			trans	-74.9	139	168.6	-69.6	-26.9	0	0	0	109.2	R673 Q681 Y717	R673-N679 WeakPolarHBondContact CD-OD1 3.31Å; N679-Q681 PolarHBondContact O-N 2.86Å; N679-Y717 HydrophobicContact CB-CE2 3.8Å
680	P	97.1	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.			trans	-54.9	135.8	170.7	-18.1	25.2	0	0	0	111.1	C609 L611 I669 Y672 V683 Y717	C609-P680 VanDerWaalsContact O-CA 3.29Å; C609-P680 WeakPolarHBondContact O-CA 3.16Å; L611-P680 HydrophobicContact CB-CB 3.74Å; L611-P680 HydrophobicContact CB-CG 3.78Å; L611-P680 HydrophobicContact CD2-CB 4.49Å; L611-P680 HydrophobicContact CD2-CG 3.85Å; L611-P680 HydrophobicContact CG-CG 4.44Å; I669-P680 HydrophobicContact CG2-CG 4.28Å; Y672-P680 HydrophobicContact CD1-CB 4.31Å; Y672-P680 HydrophobicContact CD1-CG 3.44Å; Y672-P680 VanDerWaalsContact CD1-CG 3.44Å; Y672-P680 HydrophobicContact CE1-CB 4.28Å; Y672-P680 HydrophobicContact CE1-CG 3.89Å; Y672-P680 HydrophobicContact CG-CG 3.95Å; P680-V683 HydrophobicContact CB-CG2 4.37Å; P680-Y717 VanDerWaalsContact CD-OH 3.32Å; P680-Y717 WeakPolarHBondContact CD-OH 3.47Å; P680-Y717 WeakPolarHBondContact O-CE2 3.39Å; P680-Y717 PolarHBondContact O-OH 3.04Å
681	Q	95.7	Very high	95.9	Very high	132 Å²	132	41.1 Å²	41.1	62%	0.617	24%	0.241	S	C	*	.	S	Bend	trans	-99.1	-24.3	171.6	-61.1	-174.9	-37.1	0	0	111.5	C609 N679 P719 N720	C609-Q681 HydrophobicContact CB-CG 4.47Å; C609-Q681 PolarHBondContact O-N 3.21Å; N679-Q681 PolarHBondContact O-N 2.86Å; Q681-P719 WeakPolarHBondContact O-CA 3.49Å; Q681-P719 WeakPolarHBondContact O-CB 3.44Å; Q681-N720 PolarHBondContact O-N 3.09Å
682	Q	97.5	Very high	95.4	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.9	-178.9	165.1	168.6	-63.3	0	0	109.5	H604 K608 S610 L611 N794	H604-Q682 PolarHBondContact O-NE2 3.36Å; K608-Q682 HydrophobicContact CB-CB 4.18Å; S610-Q682 WeakPolarHBondContact CA-O 3.36Å; S610-Q682 PolarHBondContact OG-NE2 3.46Å; L611-Q682 PolarHBondContact N-O 3.39Å; Q682-N794 VanDerWaalsContact CG-OD1 3.25Å; Q682-N794 WeakPolarHBondContact CG-OD1 3.45Å; Q682-N794 PolarHBondContact OE1-OD1 2.92Å
683	V	98.7	Very high	94.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.8	174.6	-176.6	0	0	0	0	110.5	L611 L613 P680 F706 P719 N720 L721 T722 N794	L611-V683 HydrophobicContact CB-CG2 4.23Å; L611-V683 VanDerWaalsContact O-CA 3.27Å; L611-V683 WeakPolarHBondContact O-CA 3.38Å; L613-V683 HydrophobicContact CD1-CG1 3.68Å; L613-V683 HydrophobicContact CG-CG1 4.12Å; P680-V683 HydrophobicContact CB-CG2 4.37Å; V683-F706 HydrophobicContact CB-CE2 4.22Å; V683-F706 HydrophobicContact CB-CZ 3.84Å; V683-F706 HydrophobicContact CG1-CE2 4.11Å; V683-F706 HydrophobicContact CG1-CZ 4.2Å; V683-F706 HydrophobicContact CG2-CE2 3.85Å; V683-F706 HydrophobicContact CG2-CZ 3.52Å; V683-P719 HydrophobicContact CG2-CB 4.28Å; V683-P719 HydrophobicContact CG2-CG 4.39Å; V683-N720 PolarHBondContact N-O 3.04Å; V683-L721 HydrophobicContact CB-CD1 3.93Å; V683-L721 HydrophobicContact CG1-CD1 3.74Å; V683-L721 WeakPolarHBondContact O-CA 3.23Å; V683-T722 PolarHBondContact O-N 2.94Å; V683-N794 PolarHBondContact O-ND2 3.05Å
684	I	98.8	Very high	94.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	171.9	-58.8	173.8	0	0	0	107.2	L605 L611 V612 L613 F686 L796 I804	L605-I684 HydrophobicContact CD2-CD1 3.94Å; L611-I684 PolarHBondContact O-N 3.02Å; V612-I684 CarbonylContact C-O 3.47Å; V612-I684 WeakPolarHBondContact CA-O 3.31Å; L613-I684 PolarHBondContact N-O 3.42Å; I684-F686 HydrophobicContact CG2-CE2 4.03Å; I684-F686 HydrophobicContact CG2-CZ 4.17Å; I684-L796 HydrophobicContact CD1-CD1 3.89Å; I684-L796 HydrophobicContact CG1-CD1 4.26Å; I684-I804 HydrophobicContact CD1-CD1 4.1Å; I684-I804 HydrophobicContact CD1-CG2 4.3Å
685	L	98.8	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.6	180	174.4	63.7	0	0	0	110.3	L613 A615 L633 F665 V687 K702 L721 T722 I723 V724	L613-L685 HydrophobicContact CB-CB 4.48Å; L613-L685 HydrophobicContact CB-CD1 3.6Å; A615-L685 HydrophobicContact CB-CD1 4.12Å; L633-L685 HydrophobicContact CD1-CD1 3.94Å; F665-L685 HydrophobicContact CE1-CD1 4.49Å; F665-L685 HydrophobicContact CE1-CD2 4.19Å; F665-L685 HydrophobicContact CZ-CD2 3.88Å; L685-V687 HydrophobicContact CD2-CG2 4.04Å; L685-V687 HydrophobicContact CG-CG2 3.89Å; L685-K702 HydrophobicContact CD2-CB 4.15Å; L685-K702 HydrophobicContact CD2-CG 4.26Å; L685-L721 HydrophobicContact CB-CD1 4.18Å; L685-T722 PolarHBondContact N-O 2.89Å; L685-I723 HydrophobicContact CB-CG1 4.49Å; L685-I723 HydrophobicContact CD2-CD1 4.44Å; L685-I723 HydrophobicContact CD2-CG1 4.39Å; L685-I723 HydrophobicContact CD2-CG2 4.35Å; L685-I723 HydrophobicContact CG-CG2 4.5Å; L685-I723 CarbonylContact O-C 3.51Å; L685-I723 WeakPolarHBondContact O-CA 3.14Å; L685-V724 PolarHBondContact O-N 3.43Å
686	F	98.8	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	132	166	-65.1	-76.7	0	0	0	110.5	V612 L613 A614 A615 I684 V724 V726 Y787 L808 P822 V825	V612-F686 HydrophobicContact CG1-CD2 4.03Å; V612-F686 HydrophobicContact CG1-CE2 3.71Å; L613-F686 PolarHBondContact O-N 3.2Å; A614-F686 CarbonylContact C-O 3.49Å; A614-F686 WeakPolarHBondContact CA-O 3.27Å; A614-F686 HydrophobicContact CB-CB 4.26Å; A615-F686 PolarHBondContact N-O 3.31Å; I684-F686 HydrophobicContact CG2-CE2 4.03Å; I684-F686 HydrophobicContact CG2-CZ 4.17Å; F686-V724 CarbonylContact C-O 3.54Å; F686-V724 WeakPolarHBondContact CA-O 3.31Å; F686-V724 HydrophobicContact CD1-CB 3.77Å; F686-V724 HydrophobicContact CD1-CG1 4.04Å; F686-V724 HydrophobicContact CE1-CB 3.97Å; F686-V724 HydrophobicContact CE1-CG1 4.06Å; F686-V724 HydrophobicContact CE1-CG2 4.36Å; F686-V726 HydrophobicContact CB-CG2 4Å; F686-V726 HydrophobicContact CD1-CG2 3.45Å; F686-V726 VanDerWaalsContact CD1-CG2 3.45Å; F686-V726 HydrophobicContact CE1-CG2 4.33Å; F686-V726 HydrophobicContact CG-CG2 4.12Å; F686-Y787 HydrophobicContact CE1-CD1 4.38Å; F686-Y787 HydrophobicContact CE1-CE1 4.35Å; F686-L808 HydrophobicContact CE2-CD1 3.82Å; F686-L808 HydrophobicContact CZ-CD1 4.23Å; F686-P822 HydrophobicContact CD1-CG 4.37Å; F686-P822 HydrophobicContact CD2-CB 4.43Å; F686-P822 HydrophobicContact CE1-CG 4.03Å; F686-P822 HydrophobicContact CE2-CB 4.15Å; F686-P822 HydrophobicContact CE2-CG 4.2Å; F686-P822 HydrophobicContact CZ-CB 4.35Å; F686-P822 HydrophobicContact CZ-CG 3.93Å; F686-V825 HydrophobicContact CB-CG2 3.35Å; F686-V825 HydrophobicContact CD1-CG2 4.49Å; F686-V825 HydrophobicContact CD2-CG2 4.31Å; F686-V825 HydrophobicContact CG-CG2 3.82Å
687	V	98.3	Very high	93.7	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.8	177.9	-166.1	0	0	0	0	109.5	A615 L685 V690 E698 I723 V724 V725 V726	A615-V687 HydrophobicContact CB-CG1 4.48Å; L685-V687 HydrophobicContact CD2-CG2 4.04Å; L685-V687 HydrophobicContact CG-CG2 3.89Å; V687-V690 HydrophobicContact CB-CG2 4.29Å; V687-V690 HydrophobicContact CG1-CG2 3.41Å; V687-V690 VanDerWaalsContact CG1-CG2 3.41Å; V687-E698 HydrophobicContact CG1-CG 4.29Å; V687-E698 VanDerWaalsContact CG1-OE1 3.25Å; V687-E698 WeakPolarHBondContact CG1-OE1 3.47Å; V687-I723 HydrophobicContact CG2-CG2 3.61Å; V687-V724 PolarHBondContact N-O 3.4Å; V687-V725 HydrophobicContact CB-CG2 4.44Å; V687-V725 CarbonylContact O-C 3.52Å; V687-V725 VanDerWaalsContact O-CA 3.3Å; V687-V725 WeakPolarHBondContact O-CA 3.4Å; V687-V726 PolarHBondContact O-N 3.27Å
688	V	95.8	Very high	93.6	Very high	5 Å²	5	51 Å²	51	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.5	-166.2	-176.6	0	0	0	0	111.7	A615 D616 V690 V825 Q829	A615-V688 WeakPolarHBondContact O-CG2 3.38Å; A615-V688 PolarHBondContact O-N 3.23Å; D616-V688 HydrophobicContact CB-CB 3.97Å; D616-V688 HydrophobicContact CB-CG2 4.03Å; V688-V690 VanDerWaalsContact C-N 3.29Å; V688-V690 PolarHBondContact O-N 3Å; V688-V690 VanDerWaalsContact O-N 3.15Å; V688-V825 HydrophobicContact CG2-CB 4.39Å; V688-V825 HydrophobicContact CG2-CG1 3.6Å; V688-V825 HydrophobicContact CG2-CG2 4.35Å; V688-Q829 HydrophobicContact CG1-CG 4.38Å
689	N	88.8	Confident	93.6	Very high	55 Å²	55	45.8 Å²	45.8	29%	0.294	22%	0.222	S	C	.	.	S	Bend	trans	53	35.2	168	-63.4	-33.7	0	0	0	115.9	V726 T728	N689-V726 PolarHBondContact N-O 3.23Å; N689-T728 PolarHBondContact OD1-N 3.02Å
690	V	91.2	Very high	93.6	Very high	15 Å²	15	44.9 Å²	44.9	9%	0.091	22%	0.215	C	C	.	.			trans	-76.2	132.7	173.9	-178.1	0	0	0	0	110.2	V687 V688 I694 F695 E698 V725	V687-V690 HydrophobicContact CB-CG2 4.29Å; V687-V690 HydrophobicContact CG1-CG2 3.41Å; V687-V690 VanDerWaalsContact CG1-CG2 3.41Å; V688-V690 VanDerWaalsContact C-N 3.29Å; V688-V690 PolarHBondContact O-N 3Å; V688-V690 VanDerWaalsContact O-N 3.15Å; V690-I694 HydrophobicContact CG1-CD1 3.9Å; V690-I694 HydrophobicContact CG1-CG1 3.62Å; V690-F695 HydrophobicContact CB-CD1 4.43Å; V690-F695 HydrophobicContact CB-CE1 4.14Å; V690-F695 HydrophobicContact CG1-CD1 3.89Å; V690-F695 HydrophobicContact CG1-CE1 4.06Å; V690-F695 WeakPolarHBondContact O-CE1 3.42Å; V690-E698 HydrophobicContact CG1-CB 4.21Å; V690-E698 HydrophobicContact CG1-CG 4.18Å; V690-E698 HydrophobicContact CG2-CG 4.22Å; V690-V725 HydrophobicContact CB-CG1 3.99Å
691	P	89.1	Confident	93.4	Very high	66 Å²	66	46 Å²	46	43%	0.429	22%	0.223	S	C	.	.			trans	-65.8	137.3	172.6	-22.9	34.1	0	0	0	112.8	K693 I694 F695	P691-K693 HydrophobicContact CB-CG 3.99Å; P691-K693 PolarHBondContact O-N 3.06Å; P691-I694 HydrophobicContact CB-CG1 4.43Å; P691-I694 WeakPolarHBondContact O-CG1 3.37Å; P691-I694 PolarHBondContact O-N 2.97Å; P691-F695 WeakPolarHBondContact O-CD1 3.34Å
692	E	86.7	Confident	93.3	Very high	91 Å²	91	39.9 Å²	39.9	43%	0.425	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-53.3	-32	-178.7	-64.5	-175.8	-157.2	0	0	113.5	I694 F695 K786 Y788	E692-I694 PolarHBondContact O-N 2.97Å; E692-F695 VanDerWaalsContact CA-CE1 3.5Å; E692-F695 HydrophobicContact CB-CD2 4.43Å; E692-F695 HydrophobicContact CB-CE1 4.46Å; E692-F695 HydrophobicContact CB-CE2 4.09Å; E692-F695 HydrophobicContact CB-CZ 4.12Å; E692-F695 HydrophobicContact CG-CE1 4.34Å; E692-F695 HydrophobicContact CG-CE2 3.78Å; E692-F695 HydrophobicContact CG-CZ 3.64Å; E692-F695 WeakPolarHBondContact O-CG 3.38Å; E692-F695 PolarHBondContact O-N 2.83Å; E692-K786 IonicContact OE1-NZ 2.75Å; E692-K786 PolarHBondContact OE1-NZ 3.14Å; E692-Y788 HydrophobicContact CG-CE2 4.26Å; E692-Y788 VanDerWaalsContact OE1-CE2 3.32Å; E692-Y788 WeakPolarHBondContact OE1-CE2 3.28Å; E692-Y788 PolarHBondContact OE1-OH 2.95Å
693	K	83.4	Confident	93.3	Very high	179 Å²	179	39.4 Å²	39.4	78%	0.778	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-65.9	-17.7	-180	63.6	171.8	-175.8	178.5	0	115.3	P691	P691-K693 HydrophobicContact CB-CG 3.99Å; P691-K693 PolarHBondContact O-N 3.06Å
694	I	90.2	Very high	93.2	Very high	68 Å²	68	42.4 Å²	42.4	35%	0.349	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-115.3	14.3	179.8	64.6	167.6	0	0	0	113	V690 P691 E692 K696 E697 E698	V690-I694 HydrophobicContact CG1-CD1 3.9Å; V690-I694 HydrophobicContact CG1-CG1 3.62Å; P691-I694 HydrophobicContact CB-CG1 4.43Å; P691-I694 WeakPolarHBondContact O-CG1 3.37Å; P691-I694 PolarHBondContact O-N 2.97Å; E692-I694 PolarHBondContact O-N 2.97Å; I694-K696 PolarHBondContact O-N 3.45Å; I694-E697 VanDerWaalsContact C-OE2 3.28Å; I694-E697 WeakPolarHBondContact CA-OE2 3.35Å; I694-E697 PolarHBondContact O-N 3.18Å; I694-E698 WeakPolarHBondContact O-CB 3.44Å; I694-E698 PolarHBondContact O-N 2.64Å
695	F	91.7	Very high	93	Very high	14 Å²	14	42.4 Å²	42.4	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-34	-177.5	-78.7	-1	0	0	0	113.2	I20 V690 P691 E692 L699 V725 Y788 I790	I20-F695 HydrophobicContact CD1-CB 3.82Å; V690-F695 HydrophobicContact CB-CD1 4.43Å; V690-F695 HydrophobicContact CB-CE1 4.14Å; V690-F695 HydrophobicContact CG1-CD1 3.89Å; V690-F695 HydrophobicContact CG1-CE1 4.06Å; V690-F695 WeakPolarHBondContact O-CE1 3.42Å; P691-F695 WeakPolarHBondContact O-CD1 3.34Å; E692-F695 VanDerWaalsContact CA-CE1 3.5Å; E692-F695 HydrophobicContact CB-CD2 4.43Å; E692-F695 HydrophobicContact CB-CE1 4.46Å; E692-F695 HydrophobicContact CB-CE2 4.09Å; E692-F695 HydrophobicContact CB-CZ 4.12Å; E692-F695 HydrophobicContact CG-CE1 4.34Å; E692-F695 HydrophobicContact CG-CE2 3.78Å; E692-F695 HydrophobicContact CG-CZ 3.64Å; E692-F695 WeakPolarHBondContact O-CG 3.38Å; E692-F695 PolarHBondContact O-N 2.83Å; F695-L699 VanDerWaalsContact O-CB 3.27Å; F695-L699 WeakPolarHBondContact O-CB 3.25Å; F695-L699 PolarHBondContact O-N 3.29Å; F695-V725 HydrophobicContact CD1-CG2 4.13Å; F695-V725 HydrophobicContact CE1-CB 4.03Å; F695-V725 HydrophobicContact CE1-CG1 3.74Å; F695-V725 HydrophobicContact CE1-CG2 3.75Å; F695-V725 HydrophobicContact CZ-CB 3.95Å; F695-V725 HydrophobicContact CZ-CG1 3.86Å; F695-V725 HydrophobicContact CZ-CG2 4.02Å; F695-Y788 AromaticContact CE2-CD1 3.89Å; F695-Y788 HydrophobicContact CE2-CD1 3.89Å; F695-Y788 AromaticContact CE2-CD2 3.97Å; F695-Y788 HydrophobicContact CE2-CD2 3.97Å; F695-Y788 HydrophobicContact CE2-CE1 4.48Å; F695-Y788 HydrophobicContact CE2-CE2 4.48Å; F695-Y788 AromaticContact CE2-CG 3.66Å; F695-Y788 HydrophobicContact CE2-CG 3.66Å; F695-Y788 HydrophobicContact CZ-CD2 4.05Å; F695-Y788 HydrophobicContact CZ-CG 4.12Å; F695-I790 HydrophobicContact CB-CG2 4.4Å; F695-I790 HydrophobicContact CD2-CG2 3.61Å; F695-I790 HydrophobicContact CE2-CG2 3.94Å; F695-I790 HydrophobicContact CG-CG2 4.04Å
696	K	90.9	Very high	93	Very high	114 Å²	114	42.4 Å²	42.4	50%	0.496	21%	0.206	S	C	.	.	H	α-helix	trans	-71	-46	-178.6	-172.8	173.5	-179.4	175.6	0	111.1	I694 E698 L699 H700	I694-K696 PolarHBondContact O-N 3.45Å; K696-E698 VanDerWaalsContact C-N 3.34Å; K696-L699 PolarHBondContact O-N 3.21Å; K696-H700 PolarHBondContact O-N 3.09Å
697	E	91.7	Very high	92.8	Very high	115 Å²	115	43.7 Å²	43.7	54%	0.537	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-44.6	176	-64.3	80.3	177.2	0	0	110.7	I694 H700 C701	I694-E697 VanDerWaalsContact C-OE2 3.28Å; I694-E697 WeakPolarHBondContact CA-OE2 3.35Å; I694-E697 PolarHBondContact O-N 3.18Å; E697-H700 PolarHBondContact O-N 3.38Å; E697-C701 VanDerWaalsContact O-CB 3.28Å; E697-C701 WeakPolarHBondContact O-CB 3.45Å; E697-C701 PolarHBondContact O-N 3.29Å
698	E	92.4	Very high	92.7	Very high	24 Å²	24	45.8 Å²	45.8	11%	0.112	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-46.5	176.8	-173.6	69.5	-179.2	0	0	111.4	V687 V690 I694 K696 H700 C701 K702	V687-E698 HydrophobicContact CG1-CG 4.29Å; V687-E698 VanDerWaalsContact CG1-OE1 3.25Å; V687-E698 WeakPolarHBondContact CG1-OE1 3.47Å; V690-E698 HydrophobicContact CG1-CB 4.21Å; V690-E698 HydrophobicContact CG1-CG 4.18Å; V690-E698 HydrophobicContact CG2-CG 4.22Å; I694-E698 WeakPolarHBondContact O-CB 3.44Å; I694-E698 PolarHBondContact O-N 2.64Å; K696-E698 VanDerWaalsContact C-N 3.34Å; E698-H700 PolarHBondContact O-N 3.28Å; E698-C701 PolarHBondContact O-N 3.27Å; E698-K702 VanDerWaalsContact CD-CE 3.47Å; E698-K702 HydrophobicContact CG-CG 4.39Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.09Å; E698-K702 WeakPolarHBondContact OE1-CE 3.29Å; E698-K702 IonicContact OE1-NZ 3.68Å; E698-K702 PolarHBondContact OE1-NZ 3.13Å
699	L	95.2	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-54.5	175.3	168.9	56	0	0	0	111.1	A18 I20 F695 K696 C701 K702 L703 I723 I790 Y791	A18-L699 HydrophobicContact CB-CD2 4.28Å; I20-L699 HydrophobicContact CD1-CB 4.36Å; I20-L699 HydrophobicContact CD1-CD2 3.96Å; F695-L699 VanDerWaalsContact O-CB 3.27Å; F695-L699 WeakPolarHBondContact O-CB 3.25Å; F695-L699 PolarHBondContact O-N 3.29Å; K696-L699 PolarHBondContact O-N 3.21Å; L699-C701 VanDerWaalsContact C-N 3.34Å; L699-C701 PolarHBondContact O-N 3.16Å; L699-K702 PolarHBondContact O-N 2.9Å; L699-L703 HydrophobicContact CD1-CB 4.44Å; L699-L703 WeakPolarHBondContact O-CB 3.29Å; L699-L703 PolarHBondContact O-N 3.01Å; L699-I723 HydrophobicContact CD1-CD1 3.75Å; L699-I790 HydrophobicContact CB-CD1 4.21Å; L699-Y791 VanDerWaalsContact CD1-CB 3.48Å; L699-Y791 HydrophobicContact CD1-CD1 4.25Å; L699-Y791 HydrophobicContact CD1-CD2 3.87Å; L699-Y791 HydrophobicContact CD1-CG 3.62Å; L699-Y791 HydrophobicContact CD2-CD2 4.23Å
700	H	94.3	Very high	93.2	Very high	48 Å²	48	43 Å²	43	22%	0.222	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-44	-177.7	-70.5	179.9	0	0	0	111.7	C15 A18 K696 E697 E698 K704	C15-H700 PolarHBondContact O-CD2 2.9Å; C15-H700 PolarHBondContact O-NE2 3Å; A18-H700 PolarHBondContact O-NE2 3Å; K696-H700 PolarHBondContact O-N 3.09Å; E697-H700 PolarHBondContact O-N 3.38Å; E698-H700 PolarHBondContact O-N 3.28Å; H700-K704 VanDerWaalsContact O-CB 3.24Å; H700-K704 WeakPolarHBondContact O-CB 3.25Å; H700-K704 PolarHBondContact O-N 3.13Å
701	C	92.8	Very high	93.4	Very high	25 Å²	25	46.2 Å²	46.2	17%	0.169	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-53.3	177.7	-176.1	0	0	0	0	111.8	E697 E698 L699 K704 A705	E697-C701 VanDerWaalsContact O-CB 3.28Å; E697-C701 WeakPolarHBondContact O-CB 3.45Å; E697-C701 PolarHBondContact O-N 3.29Å; E698-C701 PolarHBondContact O-N 3.27Å; L699-C701 VanDerWaalsContact C-N 3.34Å; L699-C701 PolarHBondContact O-N 3.16Å; C701-K704 PolarHBondContact O-N 3.27Å; C701-A705 WeakPolarHBondContact O-CB 3.44Å; C701-A705 PolarHBondContact O-N 3.2Å
702	K	95	Very high	93.8	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-41.7	-178.4	-61.6	-47.3	174.1	-164.8	0	112.5	L661 L685 E698 L699 A705 F706 I723	L661-K702 HydrophobicContact CD1-CD 3.86Å; L661-K702 VanDerWaalsContact CD1-NZ 3.35Å; L661-K702 HydrophobicContact CD2-CD 4.2Å; L685-K702 HydrophobicContact CD2-CB 4.15Å; L685-K702 HydrophobicContact CD2-CG 4.26Å; E698-K702 VanDerWaalsContact CD-CE 3.47Å; E698-K702 HydrophobicContact CG-CG 4.39Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.09Å; E698-K702 WeakPolarHBondContact OE1-CE 3.29Å; E698-K702 IonicContact OE1-NZ 3.68Å; E698-K702 PolarHBondContact OE1-NZ 3.13Å; L699-K702 PolarHBondContact O-N 2.9Å; K702-A705 PolarHBondContact O-N 3.47Å; K702-F706 WeakPolarHBondContact O-CB 3.48Å; K702-F706 PolarHBondContact O-N 3.23Å; K702-I723 HydrophobicContact CB-CD1 4.14Å
703	L	96.6	Very high	94.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-47.8	178.7	-178.3	61.4	0	0	0	110.7	C15 A18 L699 F706 R707 L721 Y791	C15-L703 HydrophobicContact CB-CD2 4.46Å; A18-L703 HydrophobicContact CB-CD2 3.57Å; L699-L703 HydrophobicContact CD1-CB 4.44Å; L699-L703 WeakPolarHBondContact O-CB 3.29Å; L699-L703 PolarHBondContact O-N 3.01Å; L703-F706 PolarHBondContact O-N 3.28Å; L703-R707 HydrophobicContact CD1-CG 4.24Å; L703-R707 VanDerWaalsContact O-CG 3.24Å; L703-R707 WeakPolarHBondContact O-CG 3.48Å; L703-R707 PolarHBondContact O-N 3.37Å; L703-L721 HydrophobicContact CD1-CD2 3.93Å; L703-Y791 HydrophobicContact CD1-CE1 3.99Å; L703-Y791 HydrophobicContact CD2-CE2 4.43Å
704	K	95.7	Very high	94.7	Very high	63 Å²	63	36 Å²	36	27%	0.274	18%	0.183	S	C	.	.	H	α-helix	trans	-60.7	-49.6	178.3	-170.6	-178.2	-177.5	-175.6	0	111.6	H12 L658 H700 C701 F706 R707 L708	H12-K704 VanDerWaalsContact CE1-CE 3.43Å; H12-K704 WeakPolarHBondContact CE1-CE 3.5Å; H12-K704 PolarHBondContact CE1-NZ 3.11Å; H12-K704 WeakPolarHBondContact NE2-CE 3.37Å; H12-K704 PolarHBondContact NE2-NZ 2.95Å; L658-K704 HydrophobicContact CD1-CB 4.13Å; L658-K704 HydrophobicContact CD1-CD 4.02Å; L658-K704 HydrophobicContact CD1-CG 4Å; L658-K704 HydrophobicContact CD2-CD 3.96Å; H700-K704 VanDerWaalsContact O-CB 3.24Å; H700-K704 WeakPolarHBondContact O-CB 3.25Å; H700-K704 PolarHBondContact O-N 3.13Å; C701-K704 PolarHBondContact O-N 3.27Å; K704-F706 VanDerWaalsContact C-N 3.32Å; K704-F706 PolarHBondContact O-N 3.45Å; K704-R707 PolarHBondContact O-N 3.48Å; K704-L708 HydrophobicContact CG-CD1 4.22Å; K704-L708 WeakPolarHBondContact O-CG 3.33Å; K704-L708 PolarHBondContact O-N 3.39Å
705	A	96	Very high	94.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-45.9	177.6	0	0	0	0	0	112	L658 L661 F665 C701 K702 L708 A709	L658-A705 HydrophobicContact CD1-CB 3.9Å; L661-A705 HydrophobicContact CB-CB 3.5Å; L661-A705 VanDerWaalsContact CB-CB 3.5Å; L661-A705 HydrophobicContact CD1-CB 4.37Å; F665-A705 HydrophobicContact CD2-CB 4.01Å; F665-A705 HydrophobicContact CE2-CB 3.95Å; C701-A705 WeakPolarHBondContact O-CB 3.44Å; C701-A705 PolarHBondContact O-N 3.2Å; K702-A705 PolarHBondContact O-N 3.47Å; A705-L708 PolarHBondContact O-N 3.48Å; A705-A709 WeakPolarHBondContact O-CB 3.46Å; A705-A709 PolarHBondContact O-N 3.21Å
706	F	97.6	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-44.1	179	178	-113.5	0	0	0	112.2	F665 I669 V683 K702 L703 K704 A709 C710 P719 L721	F665-F706 HydrophobicContact CB-CD2 4.4Å; F665-F706 AromaticContact CD1-CD2 3.69Å; F665-F706 HydrophobicContact CD1-CD2 3.69Å; F665-F706 HydrophobicContact CD1-CE2 4.46Å; F665-F706 HydrophobicContact CD2-CB 4.05Å; F665-F706 HydrophobicContact CE1-CB 4.44Å; F665-F706 HydrophobicContact CE1-CD2 4.04Å; F665-F706 HydrophobicContact CE2-CB 4Å; F665-F706 HydrophobicContact CG-CB 4.33Å; F665-F706 AromaticContact CG-CD2 3.99Å; F665-F706 HydrophobicContact CG-CD2 3.99Å; F665-F706 HydrophobicContact CZ-CB 4.2Å; I669-F706 HydrophobicContact CD1-CE2 4.23Å; V683-F706 HydrophobicContact CB-CE2 4.22Å; V683-F706 HydrophobicContact CB-CZ 3.84Å; V683-F706 HydrophobicContact CG1-CE2 4.11Å; V683-F706 HydrophobicContact CG1-CZ 4.2Å; V683-F706 HydrophobicContact CG2-CE2 3.85Å; V683-F706 HydrophobicContact CG2-CZ 3.52Å; K702-F706 WeakPolarHBondContact O-CB 3.48Å; K702-F706 PolarHBondContact O-N 3.23Å; L703-F706 PolarHBondContact O-N 3.28Å; K704-F706 VanDerWaalsContact C-N 3.32Å; K704-F706 PolarHBondContact O-N 3.45Å; F706-A709 WeakPolarHBondContact O-CB 3.49Å; F706-A709 PolarHBondContact O-N 2.88Å; F706-C710 PolarHBondContact O-N 2.84Å; F706-C710 PolarHBondContact O-SG 3.26Å; F706-P719 HydrophobicContact CE1-CG 4.1Å; F706-P719 HydrophobicContact CE2-CG 4.49Å; F706-P719 HydrophobicContact CZ-CB 4.44Å; F706-P719 HydrophobicContact CZ-CG 3.59Å; F706-L721 HydrophobicContact CB-CD2 4.48Å; F706-L721 HydrophobicContact CD1-CB 4.25Å; F706-L721 HydrophobicContact CD1-CD1 4.42Å; F706-L721 HydrophobicContact CD1-CD2 3.75Å; F706-L721 HydrophobicContact CD1-CG 4.37Å; F706-L721 HydrophobicContact CE1-CB 3.88Å; F706-L721 HydrophobicContact CE1-CD1 4.24Å; F706-L721 HydrophobicContact CE1-CD2 4.2Å; F706-L721 HydrophobicContact CE1-CG 4.33Å; F706-L721 HydrophobicContact CG-CD2 4.24Å; F706-L721 HydrophobicContact CZ-CD1 4.41Å
707	R	96.4	Very high	94.8	Very high	26 Å²	26	39.1 Å²	39.1	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-42.3	178	-68.5	-64.7	178	-129.4	0.1	112.4	L703 K704 A709 C710 H711 P719 E793	L703-R707 HydrophobicContact CD1-CG 4.24Å; L703-R707 VanDerWaalsContact O-CG 3.24Å; L703-R707 WeakPolarHBondContact O-CG 3.48Å; L703-R707 PolarHBondContact O-N 3.37Å; K704-R707 PolarHBondContact O-N 3.48Å; R707-A709 VanDerWaalsContact C-N 3.3Å; R707-A709 PolarHBondContact O-N 3.35Å; R707-C710 PolarHBondContact O-N 3.47Å; R707-H711 WeakPolarHBondContact O-CB 3.4Å; R707-H711 PolarHBondContact O-N 2.9Å; R707-P719 PolarHBondContact NH1-O 2.99Å; R707-E793 IonicContact CZ-OE1 3.15Å; R707-E793 IonicContact CZ-OE2 3.99Å; R707-E793 IonicContact NH2-OE1 3.79Å; R707-E793 PolarHBondContact NH2-OE1 3.19Å; R707-E793 IonicContact NH2-OE2 3.16Å; R707-E793 PolarHBondContact NH2-OE2 3.41Å
708	L	95.5	Very high	94.9	Very high	49 Å²	49	38.1 Å²	38.1	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-38.5	174.4	-69.2	173	0	0	0	111.7	L658 K662 K704 A705 S712	L658-L708 HydrophobicContact CD1-CD1 4.27Å; L658-L708 HydrophobicContact CD2-CD1 4.08Å; L658-L708 HydrophobicContact CG-CD1 4.22Å; K662-L708 HydrophobicContact CD-CB 3.87Å; K662-L708 HydrophobicContact CG-CB 4Å; K704-L708 HydrophobicContact CG-CD1 4.22Å; K704-L708 WeakPolarHBondContact O-CG 3.33Å; K704-L708 PolarHBondContact O-N 3.39Å; A705-L708 PolarHBondContact O-N 3.48Å; L708-S712 WeakPolarHBondContact O-CB 3.33Å; L708-S712 PolarHBondContact O-N 3.3Å; L708-S712 VanDerWaalsContact O-N 3.09Å
709	A	97.5	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-47.2	175.7	0	0	0	0	0	111.3	K662 F665 R666 A705 F706 R707 S712 L713	K662-A709 HydrophobicContact CG-CB 4.24Å; K662-A709 VanDerWaalsContact O-CB 3.25Å; K662-A709 WeakPolarHBondContact O-CB 3.3Å; F665-A709 HydrophobicContact CB-CB 3.56Å; R666-A709 HydrophobicContact CB-CB 4.28Å; A705-A709 WeakPolarHBondContact O-CB 3.46Å; A705-A709 PolarHBondContact O-N 3.21Å; F706-A709 WeakPolarHBondContact O-CB 3.49Å; F706-A709 PolarHBondContact O-N 2.88Å; R707-A709 VanDerWaalsContact C-N 3.3Å; R707-A709 PolarHBondContact O-N 3.35Å; A709-S712 PolarHBondContact O-N 3.17Å; A709-S712 PolarHBondContact O-OG 3.47Å; A709-L713 PolarHBondContact O-N 2.82Å
710	C	97.9	Very high	95.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-46.6	177.9	-64.5	0	0	0	0	111.8	F706 R707 S712 L713 G714 Y717	F706-C710 PolarHBondContact O-N 2.84Å; F706-C710 PolarHBondContact O-SG 3.26Å; R707-C710 PolarHBondContact O-N 3.47Å; C710-S712 VanDerWaalsContact C-N 3.26Å; C710-S712 PolarHBondContact O-N 3.36Å; C710-L713 WeakPolarHBondContact O-CB 3.08Å; C710-L713 PolarHBondContact O-N 3.26Å; C710-G714 PolarHBondContact O-N 3.46Å; C710-Y717 HydrophobicContact CB-CD1 3.79Å; C710-Y717 HydrophobicContact CB-CE1 4.15Å; C710-Y717 WeakPolarHBondContact CB-O 3.46Å
711	H	95.3	Very high	95.4	Very high	82 Å²	82	38.3 Å²	38.3	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-37.7	177.8	-173.9	73.6	0	0	0	112.2	R11 R707 L713 G714 T715	R11-H711 PolarHBondContact NH1-ND1 2.96Å; R707-H711 WeakPolarHBondContact O-CB 3.4Å; R707-H711 PolarHBondContact O-N 2.9Å; H711-L713 PolarHBondContact O-N 3.15Å; H711-G714 WeakPolarHBondContact CA-O 3.38Å; H711-G714 CarbonylContact O-C 3.58Å; H711-G714 VanDerWaalsContact O-C 3.32Å; H711-G714 PolarHBondContact O-N 2.96Å; H711-G714 VanDerWaalsContact O-N 3.16Å; H711-T715 PolarHBondContact ND1-O 3.3Å
712	S	96.6	Very high	95.7	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.5	176.3	80.1	0	0	0	0	114.3	R666 L708 A709 C710	R666-S712 PolarHBondContact NH1-O 3.2Å; R666-S712 PolarHBondContact NH1-OG 3.39Å; L708-S712 WeakPolarHBondContact O-CB 3.33Å; L708-S712 PolarHBondContact O-N 3.3Å; L708-S712 VanDerWaalsContact O-N 3.09Å; A709-S712 PolarHBondContact O-N 3.17Å; A709-S712 PolarHBondContact O-OG 3.47Å; C710-S712 VanDerWaalsContact C-N 3.26Å; C710-S712 PolarHBondContact O-N 3.36Å
713	L	96.3	Very high	95.8	Very high	49 Å²	49	37 Å²	37	26%	0.257	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.2	177.3	-67.4	169.1	0	0	0	112.6	R666 I669 L670 A709 C710 H711 Y717	R666-L713 HydrophobicContact CG-CD1 4.34Å; R666-L713 HydrophobicContact CG-CD2 4.04Å; R666-L713 HydrophobicContact CG-CG 4.21Å; R666-L713 VanDerWaalsContact NH1-CD2 3.25Å; I669-L713 HydrophobicContact CB-CD1 3.84Å; I669-L713 HydrophobicContact CD1-CD1 4.03Å; I669-L713 HydrophobicContact CG2-CD1 3.45Å; I669-L713 VanDerWaalsContact CG2-CD1 3.45Å; L670-L713 HydrophobicContact CD1-CD2 4.16Å; L670-L713 HydrophobicContact CD2-CD2 3.6Å; L670-L713 HydrophobicContact CG-CD2 3.86Å; A709-L713 PolarHBondContact O-N 2.82Å; C710-L713 WeakPolarHBondContact O-CB 3.08Å; C710-L713 PolarHBondContact O-N 3.26Å; H711-L713 PolarHBondContact O-N 3.15Å; L713-Y717 HydrophobicContact CB-CD1 4.27Å; L713-Y717 HydrophobicContact CD1-CE1 4.46Å
714	G	93.6	Very high	95.9	Very high	27 Å²	27	36.9 Å²	36.9	28%	0.278	19%	0.193	S	C	.	.			trans	174.1	137.4	174.8	0	0	0	0	0	110.4	C710 H711 D716 Y717	C710-G714 PolarHBondContact O-N 3.46Å; H711-G714 WeakPolarHBondContact CA-O 3.38Å; H711-G714 CarbonylContact O-C 3.58Å; H711-G714 VanDerWaalsContact O-C 3.32Å; H711-G714 PolarHBondContact O-N 2.96Å; H711-G714 VanDerWaalsContact O-N 3.16Å; G714-D716 PolarHBondContact O-N 3.27Å; G714-D716 VanDerWaalsContact O-N 3.17Å; G714-Y717 PolarHBondContact O-N 3.05Å; G714-Y717 VanDerWaalsContact O-N 3.07Å
715	T	86.9	Confident	96	Very high	85 Å²	85	33.9 Å²	33.9	52%	0.521	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.5	-173.7	49.4	0	0	0	0	113	R11 H711	R11-T715 PolarHBondContact NH1-O 3.27Å; R11-T715 VanDerWaalsContact NH1-O 3.15Å; R11-T715 PolarHBondContact NH2-O 3.45Å; H711-T715 PolarHBondContact ND1-O 3.3Å
716	D	90.8	Very high	96.1	Very high	138 Å²	138	34 Å²	34	74%	0.738	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	0.7	-177.7	-55.1	-30.2	0	0	0	113.2	G714 R718	G714-D716 PolarHBondContact O-N 3.27Å; G714-D716 VanDerWaalsContact O-N 3.17Å; D716-R718 PolarHBondContact O-N 3.31Å; D716-R718 VanDerWaalsContact O-N 3.16Å
717	Y	96.4	Very high	96	Very high	38 Å²	38	35 Å²	35	15%	0.149	19%	0.187	C	C	.	.			trans	-75	109.7	179.9	-179.8	-119.8	0	0	0	110.1	I669 N679 P680 C710 L713 G714 P719	I669-Y717 HydrophobicContact CD1-CE1 4.41Å; I669-Y717 HydrophobicContact CG2-CE1 4.13Å; N679-Y717 HydrophobicContact CB-CE2 3.8Å; P680-Y717 VanDerWaalsContact CD-OH 3.32Å; P680-Y717 WeakPolarHBondContact CD-OH 3.47Å; P680-Y717 WeakPolarHBondContact O-CE2 3.39Å; P680-Y717 PolarHBondContact O-OH 3.04Å; C710-Y717 HydrophobicContact CB-CD1 3.79Å; C710-Y717 HydrophobicContact CB-CE1 4.15Å; C710-Y717 WeakPolarHBondContact CB-O 3.46Å; L713-Y717 HydrophobicContact CB-CD1 4.27Å; L713-Y717 HydrophobicContact CD1-CE1 4.46Å; G714-Y717 PolarHBondContact O-N 3.05Å; G714-Y717 VanDerWaalsContact O-N 3.07Å; Y717-P719 HydrophobicContact CE1-CG 4.05Å; Y717-P719 HydrophobicContact CE2-CG 4.26Å
718	R	94.8	Very high	95.7	Very high	93 Å²	93	35.6 Å²	35.6	35%	0.351	19%	0.193	S	C	.	.			trans	-140.5	78.9	-177.6	-169.8	-149.1	176.5	90.2	3.5	111	E14 D716 E793	E14-R718 IonicContact OE1-NH1 3.36Å; E14-R718 PolarHBondContact OE1-NH1 3.47Å; E14-R718 IonicContact OE2-CZ 3.57Å; E14-R718 IonicContact OE2-NH1 2.58Å; E14-R718 PolarHBondContact OE2-NH1 2.95Å; E14-R718 IonicContact OE2-NH2 3.83Å; E14-R718 PolarHBondContact OE2-NH2 3.43Å; D716-R718 PolarHBondContact O-N 3.31Å; D716-R718 VanDerWaalsContact O-N 3.16Å; R718-E793 IonicContact NH2-OE1 3.63Å; R718-E793 PolarHBondContact NH2-OE1 2.97Å
719	P	96.9	Very high	95.3	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.026	22%	0.216	C	C	.	.			trans	-66.3	149.1	171.6	28.7	-35.9	0	0	0	111.4	Q681 V683 F706 R707 Y717	Q681-P719 WeakPolarHBondContact O-CA 3.49Å; Q681-P719 WeakPolarHBondContact O-CB 3.44Å; V683-P719 HydrophobicContact CG2-CB 4.28Å; V683-P719 HydrophobicContact CG2-CG 4.39Å; F706-P719 HydrophobicContact CE1-CG 4.1Å; F706-P719 HydrophobicContact CE2-CG 4.49Å; F706-P719 HydrophobicContact CZ-CB 4.44Å; F706-P719 HydrophobicContact CZ-CG 3.59Å; R707-P719 PolarHBondContact NH1-O 2.99Å; Y717-P719 HydrophobicContact CE1-CG 4.05Å; Y717-P719 HydrophobicContact CE2-CG 4.26Å
720	N	97.2	Very high	95	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.1	175.1	-72	-11.6	0	0	0	110.5	Q681 V683 E793 N794	Q681-N720 PolarHBondContact O-N 3.09Å; V683-N720 PolarHBondContact N-O 3.04Å; N720-E793 HydrophobicContact CB-CB 4.08Å; N720-N794 WeakPolarHBondContact CB-OD1 3.43Å
721	L	97.8	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135	-177.2	-178.4	65.2	0	0	0	112.6	V683 L685 L703 F706 I723 Y791 E793	V683-L721 HydrophobicContact CB-CD1 3.93Å; V683-L721 HydrophobicContact CG1-CD1 3.74Å; V683-L721 WeakPolarHBondContact O-CA 3.23Å; L685-L721 HydrophobicContact CB-CD1 4.18Å; L703-L721 HydrophobicContact CD1-CD2 3.93Å; F706-L721 HydrophobicContact CB-CD2 4.48Å; F706-L721 HydrophobicContact CD1-CB 4.25Å; F706-L721 HydrophobicContact CD1-CD1 4.42Å; F706-L721 HydrophobicContact CD1-CD2 3.75Å; F706-L721 HydrophobicContact CD1-CG 4.37Å; F706-L721 HydrophobicContact CE1-CB 3.88Å; F706-L721 HydrophobicContact CE1-CD1 4.24Å; F706-L721 HydrophobicContact CE1-CD2 4.2Å; F706-L721 HydrophobicContact CE1-CG 4.33Å; F706-L721 HydrophobicContact CG-CD2 4.24Å; F706-L721 HydrophobicContact CZ-CD1 4.41Å; L721-I723 HydrophobicContact CD1-CG1 4.34Å; L721-I723 HydrophobicContact CD2-CD1 3.81Å; L721-I723 HydrophobicContact CD2-CG1 3.82Å; L721-I723 HydrophobicContact CG-CD1 4.43Å; L721-I723 HydrophobicContact CG-CG1 3.87Å; L721-Y791 HydrophobicContact CB-CE1 4.3Å; L721-Y791 HydrophobicContact CG-CD1 4.45Å; L721-Y791 WeakPolarHBondContact O-CD1 3.44Å; L721-E793 PolarHBondContact N-OE2 3.27Å; L721-E793 PolarHBondContact O-N 3.5Å
722	T	98.1	Very high	94.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.7	162.4	-51.6	0	0	0	0	108.7	V683 L685 V724 V789 Y791 D792 N794	V683-T722 PolarHBondContact O-N 2.94Å; L685-T722 PolarHBondContact N-O 2.89Å; T722-V724 HydrophobicContact CG2-CG2 4.03Å; T722-V789 HydrophobicContact CG2-CG1 4.26Å; T722-Y791 CarbonylContact C-O 3.54Å; T722-Y791 VanDerWaalsContact CA-O 3.29Å; T722-Y791 WeakPolarHBondContact CA-O 3.26Å; T722-Y791 WeakPolarHBondContact CG2-O 3.32Å; T722-D792 HydrophobicContact CG2-CB 4.06Å; T722-D792 PolarHBondContact OG1-OD1 2.99Å; T722-N794 PolarHBondContact N-ND2 3.39Å; T722-N794 WeakPolarHBondContact OG1-CB 3.38Å; T722-N794 PolarHBondContact OG1-ND2 3.4Å
723	I	98.3	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	175.2	-50	-176	0	0	0	109.6	L685 V687 L699 K702 L721 I790 Y791	L685-I723 HydrophobicContact CB-CG1 4.49Å; L685-I723 HydrophobicContact CD2-CD1 4.44Å; L685-I723 HydrophobicContact CD2-CG1 4.39Å; L685-I723 HydrophobicContact CD2-CG2 4.35Å; L685-I723 HydrophobicContact CG-CG2 4.5Å; L685-I723 CarbonylContact O-C 3.51Å; L685-I723 WeakPolarHBondContact O-CA 3.14Å; V687-I723 HydrophobicContact CG2-CG2 3.61Å; L699-I723 HydrophobicContact CD1-CD1 3.75Å; K702-I723 HydrophobicContact CB-CD1 4.14Å; L721-I723 HydrophobicContact CD1-CG1 4.34Å; L721-I723 HydrophobicContact CD2-CD1 3.81Å; L721-I723 HydrophobicContact CD2-CG1 3.82Å; L721-I723 HydrophobicContact CG-CD1 4.43Å; L721-I723 HydrophobicContact CG-CG1 3.87Å; I723-I790 HydrophobicContact CB-CD1 4.32Å; I723-I790 HydrophobicContact CB-CG1 3.85Å; I723-I790 HydrophobicContact CG2-CD1 3.77Å; I723-I790 HydrophobicContact CG2-CG1 3.76Å; I723-I790 PolarHBondContact O-N 3.27Å; I723-Y791 HydrophobicContact CG1-CD1 4.37Å; I723-Y791 PolarHBondContact N-O 2.8Å; I723-Y791 PolarHBondContact O-N 2.96Å
724	V	98.5	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.5	-179.4	-172.8	0	0	0	0	110	L685 F686 V687 T722 Y787 Y788 V789 I801	L685-V724 PolarHBondContact O-N 3.43Å; F686-V724 CarbonylContact C-O 3.54Å; F686-V724 WeakPolarHBondContact CA-O 3.31Å; F686-V724 HydrophobicContact CD1-CB 3.77Å; F686-V724 HydrophobicContact CD1-CG1 4.04Å; F686-V724 HydrophobicContact CE1-CB 3.97Å; F686-V724 HydrophobicContact CE1-CG1 4.06Å; F686-V724 HydrophobicContact CE1-CG2 4.36Å; V687-V724 PolarHBondContact N-O 3.4Å; T722-V724 HydrophobicContact CG2-CG2 4.03Å; V724-Y787 HydrophobicContact CG1-CD1 4.06Å; V724-Y788 CarbonylContact C-O 3.48Å; V724-Y788 WeakPolarHBondContact CA-O 3.42Å; V724-V789 HydrophobicContact CG2-CG2 4.26Å; V724-I801 HydrophobicContact CG2-CD1 4.09Å; V724-I801 HydrophobicContact CG2-CG1 4.29Å
725	V	97.9	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.1	171.8	179.9	0	0	0	0	109.5	V687 V690 F695 Y787 Y788 I790	V687-V725 HydrophobicContact CB-CG2 4.44Å; V687-V725 CarbonylContact O-C 3.52Å; V687-V725 VanDerWaalsContact O-CA 3.3Å; V687-V725 WeakPolarHBondContact O-CA 3.4Å; V690-V725 HydrophobicContact CB-CG1 3.99Å; F695-V725 HydrophobicContact CD1-CG2 4.13Å; F695-V725 HydrophobicContact CE1-CB 4.03Å; F695-V725 HydrophobicContact CE1-CG1 3.74Å; F695-V725 HydrophobicContact CE1-CG2 3.75Å; F695-V725 HydrophobicContact CZ-CB 3.95Å; F695-V725 HydrophobicContact CZ-CG1 3.86Å; F695-V725 HydrophobicContact CZ-CG2 4.02Å; V725-Y787 CarbonylContact O-C 3.58Å; V725-Y787 VanDerWaalsContact O-CA 3.3Å; V725-Y787 WeakPolarHBondContact O-CA 3.19Å; V725-Y788 PolarHBondContact N-O 3.37Å; V725-Y788 PolarHBondContact O-N 2.84Å; V725-I790 HydrophobicContact CG2-CD1 3.86Å; V725-I790 HydrophobicContact CG2-CG1 4.33Å; V725-I790 HydrophobicContact CG2-CG2 3.97Å
726	V	98.5	Very high	94	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.4	179.6	-173.6	0	0	0	0	109.2	F686 V687 N689 T785 Y787 V821 V825	F686-V726 HydrophobicContact CB-CG2 4Å; F686-V726 HydrophobicContact CD1-CG2 3.45Å; F686-V726 VanDerWaalsContact CD1-CG2 3.45Å; F686-V726 HydrophobicContact CE1-CG2 4.33Å; F686-V726 HydrophobicContact CG-CG2 4.12Å; V687-V726 PolarHBondContact O-N 3.27Å; N689-V726 PolarHBondContact N-O 3.23Å; V726-T785 HydrophobicContact CG1-CG2 3.47Å; V726-T785 VanDerWaalsContact CG1-CG2 3.47Å; V726-Y787 HydrophobicContact CG1-CD1 4.39Å; V726-Y787 HydrophobicContact CG1-CE1 4.05Å; V726-Y787 HydrophobicContact CG2-CD1 3.82Å; V726-Y787 HydrophobicContact CG2-CE1 3.9Å; V726-V821 HydrophobicContact CG1-CG1 4.08Å; V726-V825 HydrophobicContact CG2-CG2 4.2Å
727	T	95.4	Very high	93.5	Very high	22 Å²	22	28.6 Å²	28.6	14%	0.135	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.3	-178.8	-50.2	0	0	0	0	110.6	E729 H730 K786	T727-E729 HydrophobicContact CG2-CB 4.5Å; T727-H730 PolarHBondContact O-CD2 2.91Å; T727-K786 PolarHBondContact N-O 2.79Å; T727-K786 PolarHBondContact O-N 3.11Å
728	T	90.7	Very high	91.9	Very high	38 Å²	38	29.9 Å²	29.9	23%	0.233	15%	0.146	C	C	.	.			trans	-99	-13.9	172.2	58.4	0	0	0	0	112.1	N689 H730 K783 T785 V821	N689-T728 PolarHBondContact OD1-N 3.02Å; T728-H730 PolarHBondContact O-N 2.93Å; T728-K783 WeakPolarHBondContact O-CE 3.47Å; T728-K783 PolarHBondContact O-NZ 2.84Å; T728-T785 HydrophobicContact CG2-CG2 4.04Å; T728-V821 HydrophobicContact CG2-CG1 3.58Å
729	E	86.2	Confident	90.1	Very high	156 Å²	156	34.2 Å²	34.2	73%	0.729	17%	0.168	S	C	*	.			trans	-94.2	75.8	-179.2	-61	-165.7	156.8	0	0	111.8	T727	T727-E729 HydrophobicContact CG2-CB 4.5Å
730	H	91.1	Very high	87.7	Confident	18 Å²	18	39.6 Å²	39.6	8%	0.083	20%	0.201	C	C	.	.			trans	-138.6	169.6	171.5	58.8	70.1	0	0	0	112.7	T727 T728 T732 Y771 K783 P784 K786	T727-H730 PolarHBondContact O-CD2 2.91Å; T728-H730 PolarHBondContact O-N 2.93Å; H730-T732 PolarHBondContact ND1-N 2.68Å; H730-T732 PolarHBondContact ND1-O 2.83Å; H730-Y771 AromaticContact CE1-CE1 3.92Å; H730-Y771 AromaticContact NE2-CE1 3.96Å; H730-K783 WeakPolarHBondContact O-CE 3.4Å; H730-K783 PolarHBondContact O-NZ 2.81Å; H730-P784 PolarHBondContact CE1-O 3.31Å; H730-P784 PolarHBondContact NE2-O 3.18Å; H730-K786 PolarHBondContact NE2-N 3.23Å
731	H	91.5	Very high	85.1	Confident	65 Å²	65	40.5 Å²	40.5	30%	0.301	20%	0.204	S	C	.	.			trans	-102.6	19.8	-179.2	-70	-81.1	0	0	0	113.6	N38 F211 N225 D227	N38-H731 PolarHBondContact ND2-O 2.59Å; F211-H731 HydrophobicContact CD1-CB 3.76Å; F211-H731 AromaticContact CD1-CD2 3.93Å; F211-H731 AromaticContact CD1-CG 3.65Å; F211-H731 HydrophobicContact CE1-CB 3.69Å; F211-H731 AromaticContact CE1-CD2 3.69Å; F211-H731 AromaticContact CE1-CG 3.72Å; F211-H731 AromaticContact CE2-CD2 3.98Å; F211-H731 AromaticContact CZ-CD2 3.7Å; N225-H731 VanDerWaalsContact ND2-C 3.34Å; N225-H731 WeakPolarHBondContact ND2-CB 3.24Å; N225-H731 PolarHBondContact ND2-O 3.43Å; N225-H731 PolarHBondContact OD1-O 2.85Å; N225-H731 VanDerWaalsContact OD1-O 3.11Å; D227-H731 HydrophobicContact CB-CB 3.91Å; D227-H731 IonicContact OD2-CE1 2.61Å; D227-H731 IonicContact OD2-CG 2.87Å; D227-H731 IonicContact OD2-ND1 3.37Å; D227-H731 PolarHBondContact OD2-ND1 3.49Å
732	T	93.6	Very high	82.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.234	C	C	.	.			trans	-91.7	129.3	178	-55.8	0	0	0	0	112.1	F39 H730 F734 I762 Y771	F39-T732 HydrophobicContact CE2-CG2 3.87Å; H730-T732 PolarHBondContact ND1-N 2.68Å; H730-T732 PolarHBondContact ND1-O 2.83Å; T732-F734 HydrophobicContact CG2-CD2 4.27Å; T732-F734 HydrophobicContact CG2-CE2 3.45Å; T732-F734 VanDerWaalsContact CG2-CE2 3.45Å; T732-F734 HydrophobicContact CG2-CZ 3.67Å; T732-I762 HydrophobicContact CG2-CG2 4.5Å; T732-Y771 HydrophobicContact CG2-CD1 4.29Å; T732-Y771 HydrophobicContact CG2-CE1 3.76Å; T732-Y771 HydrophobicContact CG2-CE2 4.19Å; T732-Y771 PolarHBondContact OG1-OH 2.92Å
733	Y	92.8	Very high	79.7	Confident	27 Å²	27	54 Å²	54	11%	0.106	27%	0.274	C	S	.	.			trans	-131.8	151.9	178	-65.4	-98.4	0	0	0	111.5	T37 N38 D227 T383 R386 S781 K783	T37-Y733 WeakPolarHBondContact CA-O 3.29Å; N38-Y733 PolarHBondContact N-O 2.94Å; N38-Y733 PolarHBondContact OD1-N 2.64Å; N38-Y733 PolarHBondContact OD1-O 3.34Å; D227-Y733 VanDerWaalsContact CG-CE2 3.49Å; D227-Y733 WeakPolarHBondContact OD1-CD2 3.44Å; D227-Y733 WeakPolarHBondContact OD1-CE2 3.28Å; D227-Y733 WeakPolarHBondContact OD2-CE2 3.4Å; T383-Y733 HydrophobicContact CG2-CD1 4.46Å; R386-Y733 PolarHBondContact NH2-OH 3.15Å; Y733-S781 VanDerWaalsContact CD1-O 3.29Å; Y733-S781 WeakPolarHBondContact CD1-O 3.24Å; Y733-K783 HydrophobicContact CD1-CB 3.91Å; Y733-K783 HydrophobicContact CD1-CG 4.45Å; Y733-K783 HydrophobicContact CE1-CB 3.66Å; Y733-K783 HydrophobicContact CE1-CD 4.09Å; Y733-K783 HydrophobicContact CE1-CG 4.1Å
734	F	91.5	Very high	76.8	Confident	1 Å²	1	63.9 Å²	63.9	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.1	176.5	-59.6	-92.3	0	0	0	110.9	L35 V36 T37 T419 T732 L752 V758 I762 Y771 N782 P784	L35-F734 HydrophobicContact CD1-CB 4.47Å; L35-F734 HydrophobicContact CD1-CD1 4.16Å; V36-F734 CarbonylContact O-C 3.59Å; V36-F734 WeakPolarHBondContact O-CA 3.26Å; T37-F734 HydrophobicContact CG2-CD1 3.47Å; T37-F734 VanDerWaalsContact CG2-CD1 3.47Å; T37-F734 HydrophobicContact CG2-CE1 3.42Å; T37-F734 VanDerWaalsContact CG2-CE1 3.42Å; T419-F734 HydrophobicContact CG2-CD1 4.23Å; T419-F734 HydrophobicContact CG2-CE1 4.05Å; T732-F734 HydrophobicContact CG2-CD2 4.27Å; T732-F734 HydrophobicContact CG2-CE2 3.45Å; T732-F734 VanDerWaalsContact CG2-CE2 3.45Å; T732-F734 HydrophobicContact CG2-CZ 3.67Å; F734-L752 HydrophobicContact CB-CD1 4.26Å; F734-L752 HydrophobicContact CB-CD2 4.13Å; F734-V758 HydrophobicContact CD1-CG2 4.08Å; F734-V758 HydrophobicContact CE1-CB 4.1Å; F734-V758 HydrophobicContact CE1-CG1 3.84Å; F734-V758 HydrophobicContact CE1-CG2 3.86Å; F734-V758 HydrophobicContact CZ-CB 4.02Å; F734-V758 HydrophobicContact CZ-CG1 4.02Å; F734-V758 HydrophobicContact CZ-CG2 4.11Å; F734-I762 HydrophobicContact CZ-CG2 4.38Å; F734-Y771 HydrophobicContact CE2-CD1 4.31Å; F734-Y771 HydrophobicContact CE2-CD2 4.07Å; F734-Y771 AromaticContact CE2-CG 3.87Å; F734-Y771 HydrophobicContact CE2-CG 3.87Å; F734-Y771 AromaticContact CZ-CD2 3.9Å; F734-Y771 HydrophobicContact CZ-CD2 3.9Å; F734-Y771 HydrophobicContact CZ-CE2 4.35Å; F734-Y771 HydrophobicContact CZ-CG 4.17Å; F734-N782 PolarHBondContact N-O 2.89Å; F734-N782 WeakPolarHBondContact O-CB 3.4Å; F734-P784 HydrophobicContact CD2-CG 3.59Å; F734-P784 HydrophobicContact CE2-CG 3.62Å
735	T	88.5	Confident	73.8	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.9	168.6	-174.5	0	0	0	0	109.5	L35 V36 L387 N737 R750	L35-T735 CarbonylContact C-O 3.51Å; L35-T735 VanDerWaalsContact CA-O 3.28Å; L35-T735 WeakPolarHBondContact CA-O 3.28Å; V36-T735 HydrophobicContact CB-CG2 3.94Å; V36-T735 PolarHBondContact N-O 2.94Å; V36-T735 PolarHBondContact O-N 2.89Å; L387-T735 HydrophobicContact CD1-CG2 3.63Å; T735-N737 PolarHBondContact O-N 3.18Å; T735-R750 PolarHBondContact OG1-O 3.37Å; T735-R750 VanDerWaalsContact OG1-O 3.05Å
736	V	87.9	Confident	70.9	Confident	21 Å²	21	69.4 Å²	69.4	13%	0.127	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.3	180	-178.1	0	0	0	0	110.4	I33 L35 D738	I33-V736 HydrophobicContact CD1-CB 4.49Å; I33-V736 HydrophobicContact CD1-CG1 3.96Å; I33-V736 HydrophobicContact CD1-CG2 3.75Å; I33-V736 HydrophobicContact CG1-CG1 4.23Å; L35-V736 HydrophobicContact CD2-CG2 4.31Å; V736-D738 HydrophobicContact CG1-CB 4.4Å; V736-D738 PolarHBondContact O-N 2.99Å
737	N	79.9	Confident	68.3	Low	40 Å²	40	75.8 Å²	75.8	21%	0.214	39%	0.387	C	S	.	.			trans	-96.4	80	176.8	-170.9	19.8	0	0	0	110.3	A34 V36 Q418 T735	A34-N737 HydrophobicContact CB-CB 4.16Å; A34-N737 PolarHBondContact O-N 3.18Å; V36-N737 HydrophobicContact CG2-CB 3.58Å; Q418-N737 PolarHBondContact NE2-ND2 3.03Å; Q418-N737 PolarHBondContact OE1-ND2 3.01Å; T735-N737 PolarHBondContact O-N 3.18Å
738	D	63.7	Low	65.8	Low	64 Å²	64	79.3 Å²	79.3	34%	0.342	41%	0.409	S	S	.	.			trans	-103.2	117.4	177.8	-157.9	-22.9	0	0	0	111.5	V736 T740 M741	V736-D738 HydrophobicContact CG1-CB 4.4Å; V736-D738 PolarHBondContact O-N 2.99Å; D738-T740 WeakPolarHBondContact OD1-CA 3.31Å; D738-T740 WeakPolarHBondContact OD1-CB 3.26Å; D738-T740 PolarHBondContact OD1-N 2.96Å; D738-T740 PolarHBondContact OD1-OG1 3.3Å; D738-M741 HydrophobicContact CB-CG 4.14Å; D738-M741 VanDerWaalsContact CG-CG 3.45Å; D738-M741 WeakPolarHBondContact OD2-CE 3.4Å; D738-M741 WeakPolarHBondContact OD2-CG 3.48Å
739	K	55.7	Low	63.7	Low	184 Å²	184	80.2 Å²	80.2	80%	0.8	41%	0.414	S	S	*	.	S	Bend	trans	-88.4	-13.1	173.4	-68.2	-172.6	179.2	-177.1	0	112.9
740	T	47.9	Very low	62.6	Low	118 Å²	118	77.4 Å²	77.4	72%	0.724	40%	0.397	S	S	*	.	S	Bend	trans	-97.1	-3.6	-169.9	60.8	0	0	0	0	114.3	D738	D738-T740 WeakPolarHBondContact OD1-CA 3.31Å; D738-T740 WeakPolarHBondContact OD1-CB 3.26Å; D738-T740 PolarHBondContact OD1-N 2.96Å; D738-T740 PolarHBondContact OD1-OG1 3.3Å
741	M	41.8	Very low	61.9	Low	90 Å²	90	79 Å²	79	44%	0.443	41%	0.405	S	S	.	.			trans	-94.6	124.8	-175.3	-68.3	-71.3	155.3	0	0	112.9	D738	D738-M741 HydrophobicContact CB-CG 4.14Å; D738-M741 VanDerWaalsContact CG-CG 3.45Å; D738-M741 WeakPolarHBondContact OD2-CE 3.4Å; D738-M741 WeakPolarHBondContact OD2-CG 3.48Å
742	T	40.1	Very low	61.7	Low	105 Å²	105	76 Å²	76	64%	0.644	39%	0.392	S	S	*	.			trans	-61.5	149.6	174.2	47.8	0	0	0	0	113	K744 V745	T742-K744 VanDerWaalsContact C-N 3.25Å; T742-K744 PolarHBondContact O-N 3.2Å; T742-V745 PolarHBondContact O-N 2.7Å; T742-V745 VanDerWaalsContact O-N 3.14Å
743	E	42.2	Very low	61.6	Low	181 Å²	181	77.6 Å²	77.6	85%	0.846	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-48.2	-32	-171.9	-82.7	179.9	151.3	0	0	116.7	V745	E743-V745 VanDerWaalsContact C-N 3.26Å; E743-V745 PolarHBondContact O-N 2.88Å
744	K	37.2	Very low	61.6	Low	206 Å²	206	76.6 Å²	76.6	90%	0.896	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.5	-176.4	-78.6	-175.9	175.6	178.3	0	114.8	T742	T742-K744 VanDerWaalsContact C-N 3.25Å; T742-K744 PolarHBondContact O-N 3.2Å
745	V	36.5	Very low	61.8	Low	49 Å²	49	76.5 Å²	76.5	30%	0.297	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-104	-5.2	-174.5	-169	0	0	0	0	112.2	T742 E743 V747 T748 T749	T742-V745 PolarHBondContact O-N 2.7Å; T742-V745 VanDerWaalsContact O-N 3.14Å; E743-V745 VanDerWaalsContact C-N 3.26Å; E743-V745 PolarHBondContact O-N 2.88Å; V745-V747 PolarHBondContact O-N 3.28Å; V745-T748 PolarHBondContact O-N 2.87Å; V745-T748 VanDerWaalsContact O-N 3.11Å; V745-T748 PolarHBondContact O-OG1 3.37Å; V745-T749 HydrophobicContact CG1-CG2 3.3Å; V745-T749 PolarHBondContact O-N 2.71Å; V745-T749 PolarHBondContact O-OG1 3.08Å
746	L	36.4	Very low	62.2	Low	67 Å²	67	76.5 Å²	76.5	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-53	-32.1	-173.7	-109.8	97.9	0	0	0	115.3	R750	L746-R750 VanDerWaalsContact CD2-NH2 3.33Å; L746-R750 WeakPolarHBondContact O-CD 3.24Å; L746-R750 WeakPolarHBondContact O-CG 3.22Å
747	V	42.7	Very low	62.7	Low	135 Å²	135	75.5 Å²	75.5	82%	0.818	39%	0.392	S	S	*	.	H	α-helix	trans	-79.6	-29.9	-174.8	-177.1	0	0	0	0	112.1	V745	V745-V747 PolarHBondContact O-N 3.28Å
748	T	43.3	Very low	63.4	Low	97 Å²	97	73.8 Å²	73.8	60%	0.595	38%	0.383	S	S	*	.	H	α-helix	trans	-99.4	-25.8	-176.1	48.9	0	0	0	0	113.7	V745	V745-T748 PolarHBondContact O-N 2.87Å; V745-T748 VanDerWaalsContact O-N 3.11Å; V745-T748 PolarHBondContact O-OG1 3.37Å
749	T	46.6	Very low	64.8	Low	56 Å²	56	70.9 Å²	70.9	34%	0.344	37%	0.367	S	S	.	.	H	α-helix	trans	-97.6	-1.2	-175.3	52.3	0	0	0	0	116.1	V745 L751	V745-T749 HydrophobicContact CG1-CG2 3.3Å; V745-T749 PolarHBondContact O-N 2.71Å; V745-T749 PolarHBondContact O-OG1 3.08Å; T749-L751 PolarHBondContact O-N 2.75Å
750	R	63.1	Low	66.4	Low	98 Å²	98	66.5 Å²	66.5	37%	0.37	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.8	173.9	-71.5	-176.2	-179.9	-123	0.8	113.9	T735 L746	T735-R750 PolarHBondContact OG1-O 3.37Å; T735-R750 VanDerWaalsContact OG1-O 3.05Å; L746-R750 VanDerWaalsContact CD2-NH2 3.33Å; L746-R750 WeakPolarHBondContact O-CD 3.24Å; L746-R750 WeakPolarHBondContact O-CG 3.22Å
751	L	77.9	Confident	68.2	Low	51 Å²	51	66.2 Å²	66.2	27%	0.267	33%	0.331	S	S	.	.	S	Bend	trans	-67.6	132	173.1	-62.7	-179.6	0	0	0	110	T749 P753 Q779 E780	T749-L751 PolarHBondContact O-N 2.75Å; L751-P753 WeakPolarHBondContact O-CD 3.27Å; L751-Q779 HydrophobicContact CB-CG 4.07Å; L751-Q779 HydrophobicContact CD1-CG 4.47Å; L751-Q779 HydrophobicContact CD2-CG 4.48Å; L751-E780 HydrophobicContact CD2-CB 4.37Å; L751-E780 HydrophobicContact CD2-CG 4.08Å
752	L	85.7	Confident	70.3	Confident	2 Å²	2	62 Å²	62	1%	0.01	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.4	120.8	175.3	-169.6	65.3	0	0	0	108.3	L35 F734 I754 T756 Q779 N782	L35-L752 HydrophobicContact CD1-CD1 4.29Å; L35-L752 HydrophobicContact CD2-CD1 3.54Å; F734-L752 HydrophobicContact CB-CD1 4.26Å; F734-L752 HydrophobicContact CB-CD2 4.13Å; L752-I754 PolarHBondContact O-N 3.13Å; L752-T756 HydrophobicContact CD1-CG2 3.7Å; L752-T756 HydrophobicContact CG-CG2 4.19Å; L752-Q779 PolarHBondContact O-NE2 3.3Å; L752-N782 HydrophobicContact CB-CB 4.04Å; L752-N782 WeakPolarHBondContact CB-OD1 3.11Å; L752-N782 HydrophobicContact CD2-CB 4.47Å; L752-N782 PolarHBondContact N-OD1 3.45Å
753	P	91.3	Very high	72.4	Confident	34 Å²	34	57.1 Å²	57.1	22%	0.221	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-57.5	139.5	178.9	-26.4	35.6	0	0	0	112	I33 V423 L751 G755 T756	I33-P753 HydrophobicContact CD1-CG 3.8Å; V423-P753 HydrophobicContact CG1-CB 4.07Å; V423-P753 HydrophobicContact CG2-CB 4Å; V423-P753 HydrophobicContact CG2-CG 4.23Å; L751-P753 WeakPolarHBondContact O-CD 3.27Å; P753-G755 PolarHBondContact O-N 3.03Å; P753-T756 VanDerWaalsContact O-CB 3.3Å; P753-T756 WeakPolarHBondContact O-CB 3.21Å; P753-T756 PolarHBondContact O-N 3.43Å; P753-T756 PolarHBondContact O-OG1 3.29Å
754	I	94.1	Very high	74.1	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	131.7	175.5	-57.8	-56.5	0	0	0	109.4	N444 L752 N775 A776 Q779 Y806	N444-I754 WeakPolarHBondContact O-CG1 3.45Å; N444-I754 WeakPolarHBondContact OD1-CG1 3.46Å; N444-I754 PolarHBondContact OD1-N 2.98Å; L752-I754 PolarHBondContact O-N 3.13Å; I754-N775 VanDerWaalsContact CD1-O 3.28Å; I754-N775 WeakPolarHBondContact CD1-O 3.21Å; I754-A776 HydrophobicContact CD1-CB 4.33Å; I754-A776 HydrophobicContact CG1-CB 3.96Å; I754-Q779 HydrophobicContact CD1-CB 4.47Å; I754-Q779 HydrophobicContact CD1-CG 4.03Å; I754-Y806 HydrophobicContact CG2-CE2 4Å; I754-Y806 PolarHBondContact O-OH 2.97Å
755	G	95.9	Very high	75.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-0.6	-167.3	0	0	0	0	0	113.8	L424 P753 V757 S773 Y806	L424-G755 PolarHBondContact N-O 3.32Å; P753-G755 PolarHBondContact O-N 3.03Å; G755-V757 PolarHBondContact O-N 3.29Å; G755-S773 PolarHBondContact N-O 3.48Å; G755-Y806 WeakPolarHBondContact CA-OH 3.24Å; G755-Y806 PolarHBondContact N-OH 3.29Å
756	T	96.3	Very high	77.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	122.5	176.2	-57.3	0	0	0	0	110.9	I33 L35 R422 L752 P753 L772 S773	I33-T756 HydrophobicContact CG2-CG2 4.13Å; L35-T756 HydrophobicContact CD1-CG2 4.02Å; R422-T756 CarbonylContact O-C 3.56Å; R422-T756 VanDerWaalsContact O-CA 3.3Å; R422-T756 WeakPolarHBondContact O-CA 3.47Å; L752-T756 HydrophobicContact CD1-CG2 3.7Å; L752-T756 HydrophobicContact CG-CG2 4.19Å; P753-T756 VanDerWaalsContact O-CB 3.3Å; P753-T756 WeakPolarHBondContact O-CB 3.21Å; P753-T756 PolarHBondContact O-N 3.43Å; P753-T756 PolarHBondContact O-OG1 3.29Å; T756-L772 WeakPolarHBondContact O-CA 3.42Å; T756-S773 PolarHBondContact O-N 3.32Å
757	V	97.5	Very high	79.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.5	173.6	178.6	0	0	0	0	110.6	G421 R422 L424 G755 D759 Y770 Y771 L772 Q802	G421-V757 CarbonylContact C-O 3.46Å; G421-V757 WeakPolarHBondContact CA-O 3.31Å; R422-V757 PolarHBondContact N-O 2.84Å; R422-V757 PolarHBondContact O-N 3.32Å; L424-V757 HydrophobicContact CD1-CG2 3.64Å; L424-V757 HydrophobicContact CG-CG2 3.91Å; G755-V757 PolarHBondContact O-N 3.29Å; V757-D759 HydrophobicContact CG1-CB 4.46Å; V757-Y770 HydrophobicContact CG1-CD2 4.28Å; V757-Y771 CarbonylContact C-O 3.59Å; V757-Y771 VanDerWaalsContact CA-O 3.23Å; V757-Y771 WeakPolarHBondContact CA-O 3.4Å; V757-L772 HydrophobicContact CG2-CB 4.31Å; V757-L772 HydrophobicContact CG2-CD1 3.54Å; V757-L772 HydrophobicContact CG2-CG 4.5Å; V757-Q802 HydrophobicContact CG1-CG 4.08Å
758	V	95.5	Very high	81.1	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	110.4	170.7	-176.8	0	0	0	0	108.9	L35 T419 F734 Y770 Y771	L35-V758 HydrophobicContact CD1-CG2 3.45Å; L35-V758 VanDerWaalsContact CD1-CG2 3.45Å; T419-V758 HydrophobicContact CG2-CG1 4.24Å; F734-V758 HydrophobicContact CD1-CG2 4.08Å; F734-V758 HydrophobicContact CE1-CB 4.1Å; F734-V758 HydrophobicContact CE1-CG1 3.84Å; F734-V758 HydrophobicContact CE1-CG2 3.86Å; F734-V758 HydrophobicContact CZ-CB 4.02Å; F734-V758 HydrophobicContact CZ-CG1 4.02Å; F734-V758 HydrophobicContact CZ-CG2 4.11Å; V758-Y770 WeakPolarHBondContact O-CA 3.43Å; V758-Y771 PolarHBondContact N-O 3.23Å; V758-Y771 PolarHBondContact O-N 3.1Å
759	D	93.8	Very high	83.5	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	17%	0.167	C	C	.	.			trans	-123.3	16.6	-178.4	64	-14.5	0	0	0	112.2	Y26 G27 R422 V757 I763 Q802	Y26-D759 WeakPolarHBondContact CD1-O 3.27Å; Y26-D759 WeakPolarHBondContact CE1-O 3.3Å; G27-D759 WeakPolarHBondContact CA-OD2 3.4Å; G27-D759 PolarHBondContact N-OD2 3.2Å; R422-D759 IonicContact CZ-OD2 2.86Å; R422-D759 IonicContact NH2-OD1 2.87Å; R422-D759 IonicContact NH2-OD2 3.05Å; R422-D759 PolarHBondContact NH2-OD2 3.38Å; V757-D759 HydrophobicContact CG1-CB 4.46Å; D759-I763 WeakPolarHBondContact O-CD1 3.5Å; D759-Q802 PolarHBondContact OD2-NE2 2.93Å
760	R	89.3	Confident	85.8	Confident	92 Å²	92	27.6 Å²	27.6	35%	0.347	15%	0.152	S	C	.	.	S	Bend	trans	-136.8	153.3	-178.6	-64.6	175.4	-164.2	-107.8	10.4	111.6	Y26 G27 N28 I762	Y26-R760 HydrophobicContact CD1-CG 3.74Å; Y26-R760 VanDerWaalsContact CD2-NH1 3.26Å; Y26-R760 HydrophobicContact CE1-CG 4.14Å; Y26-R760 HydrophobicContact CG-CG 3.98Å; G27-R760 PolarHBondContact O-NH2 2.85Å; N28-R760 PolarHBondContact OD1-NH2 2.56Å; N28-R760 VanDerWaalsContact OD1-NH2 3.13Å; R760-I762 PolarHBondContact O-N 3.33Å
761	R	84.7	Confident	87.5	Confident	111 Å²	111	23.1 Å²	23.1	42%	0.419	14%	0.135	S	C	.	.	S	Bend	trans	64.2	-40.4	171.1	-169.1	178.9	-176.1	164.7	5.8	116.8	T217 L221 Q418	T217-R761 WeakPolarHBondContact CB-O 3.32Å; T217-R761 PolarHBondContact OG1-O 2.87Å; L221-R761 HydrophobicContact CD1-CG 4.43Å; Q418-R761 PolarHBondContact O-NE 2.85Å; Q418-R761 PolarHBondContact O-NH1 3.49Å
762	I	86	Confident	88.4	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.015	12%	0.122	C	C	.	.	S	Bend	trans	-110	25.5	-176.6	-48.6	-67.7	0	0	0	110.5	T37 F39 L223 V417 T419 T732 F734 R760 Y771	T37-I762 HydrophobicContact CG2-CD1 4.22Å; T37-I762 HydrophobicContact CG2-CG1 3.81Å; F39-I762 HydrophobicContact CB-CD1 4.39Å; F39-I762 HydrophobicContact CD1-CG2 4.47Å; F39-I762 HydrophobicContact CD2-CG2 3.57Å; F39-I762 HydrophobicContact CE1-CG2 4.29Å; F39-I762 HydrophobicContact CE2-CG2 3.38Å; F39-I762 HydrophobicContact CG-CD1 4.38Å; F39-I762 HydrophobicContact CG-CG2 4.13Å; F39-I762 HydrophobicContact CZ-CG2 3.76Å; L223-I762 HydrophobicContact CD1-CD1 3.68Å; V417-I762 HydrophobicContact CB-CD1 4.32Å; V417-I762 HydrophobicContact CG1-CD1 3.8Å; T419-I762 HydrophobicContact CG2-CG1 4.27Å; T732-I762 HydrophobicContact CG2-CG2 4.5Å; F734-I762 HydrophobicContact CZ-CG2 4.38Å; R760-I762 PolarHBondContact O-N 3.33Å; I762-Y771 WeakPolarHBondContact O-CE2 3.45Å
763	I	85	Confident	88.9	Confident	2 Å²	2	21 Å²	21	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	-105.5	160.7	178.5	69.2	-175.6	0	0	0	109.5	H23 Y26 T217 D218 D759 N769	H23-I763 VanDerWaalsContact NE2-CD1 3.31Å; H23-I763 WeakPolarHBondContact NE2-CD1 3.22Å; Y26-I763 HydrophobicContact CE1-CD1 3.64Å; T217-I763 CarbonylContact C-O 3.37Å; T217-I763 WeakPolarHBondContact CA-O 3.43Å; T217-I763 VanDerWaalsContact CB-O 3.24Å; T217-I763 WeakPolarHBondContact CB-O 3.47Å; D218-I763 HydrophobicContact CB-CD1 3.84Å; D218-I763 HydrophobicContact CB-CG1 3.52Å; D218-I763 PolarHBondContact N-O 3.32Å; D759-I763 WeakPolarHBondContact O-CD1 3.5Å; I763-N769 VanDerWaalsContact CG2-O 3.31Å; I763-N769 WeakPolarHBondContact CG2-O 3.08Å
764	S	78.4	Confident	89.1	Confident	31 Å²	31	19.4 Å²	19.4	22%	0.217	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-65	140.5	178	-74.1	0	0	0	0	111.3	G766 G767 N769 Y788	S764-G766 PolarHBondContact O-N 3.17Å; S764-G767 PolarHBondContact O-N 3.01Å; S764-N769 WeakPolarHBondContact CB-OD1 3.48Å; S764-N769 PolarHBondContact N-OD1 3.06Å; S764-Y788 WeakPolarHBondContact CB-OH 3.49Å; S764-Y788 PolarHBondContact OG-OH 3.43Å
765	A	70.7	Confident	89	Confident	49 Å²	49	20.6 Å²	20.6	41%	0.405	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	123.2	173.7	0	0	0	0	0	110.8	I216 G767	I216-A765 HydrophobicContact CG2-CB 4.12Å; I216-A765 PolarHBondContact O-N 2.65Å; A765-G767 PolarHBondContact O-N 2.83Å
766	G	69.1	Low	88.7	Confident	47 Å²	47	21 Å²	21	49%	0.485	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-17.5	176.3	0	0	0	0	0	116.3	T22 H23 S764	T22-G766 WeakPolarHBondContact CA-O 3.17Å; T22-G766 WeakPolarHBondContact CB-O 3.49Å; H23-G766 PolarHBondContact N-O 3.47Å; S764-G766 PolarHBondContact O-N 3.17Å
767	G	74.1	Confident	88.1	Confident	14 Å²	14	26 Å²	26	14%	0.144	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-94.2	138.6	-179.9	0	0	0	0	0	112.5	H23 S764 A765 N769	H23-G767 PolarHBondContact CD2-O 2.91Å; H23-G767 PolarHBondContact NE2-O 2.99Å; S764-G767 PolarHBondContact O-N 3.01Å; A765-G767 PolarHBondContact O-N 2.83Å; G767-N769 PolarHBondContact O-N 3.44Å; G767-N769 VanDerWaalsContact O-N 3.11Å
768	C	85.8	Confident	86.9	Confident	25 Å²	25	30.6 Å²	30.6	17%	0.169	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	88.7	-178.6	-169.4	0	0	0	0	112.1	H23 Y788 V789	H23-C768 WeakPolarHBondContact NE2-CA 3.44Å; C768-Y788 WeakPolarHBondContact O-CA 3.4Å; C768-V789 HydrophobicContact CB-CB 4.19Å; C768-V789 PolarHBondContact O-N 2.93Å
769	N	92.6	Very high	85.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.9	-175.9	84.1	-99.1	0	0	0	114.6	H23 I763 S764 G767 Y787 Y788	H23-N769 PolarHBondContact NE2-N 2.97Å; I763-N769 VanDerWaalsContact CG2-O 3.31Å; I763-N769 WeakPolarHBondContact CG2-O 3.08Å; S764-N769 WeakPolarHBondContact CB-OD1 3.48Å; S764-N769 PolarHBondContact N-OD1 3.06Å; G767-N769 PolarHBondContact O-N 3.44Å; G767-N769 VanDerWaalsContact O-N 3.11Å; N769-Y787 CarbonylContact C-O 3.56Å; N769-Y787 WeakPolarHBondContact CA-O 3.33Å; N769-Y787 WeakPolarHBondContact CB-O 3.46Å; N769-Y788 HydrophobicContact CB-CD1 3.37Å; N769-Y788 HydrophobicContact CB-CD2 3.93Å; N769-Y788 HydrophobicContact CB-CE1 3.25Å; N769-Y788 HydrophobicContact CB-CE2 3.87Å; N769-Y788 HydrophobicContact CB-CG 3.66Å; N769-Y788 VanDerWaalsContact CB-CZ 3.45Å; N769-Y788 VanDerWaalsContact CG-CZ 3.43Å; N769-Y788 WeakPolarHBondContact OD1-CE1 3.25Å; N769-Y788 PolarHBondContact OD1-OH 2.86Å; N769-Y788 VanDerWaalsContact OD1-OH 3.11Å
770	Y	96.2	Very high	84.2	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.3	177.7	59.7	-86.4	0	0	0	110.9	V757 V758 L772 Y787 V789 I801 Q802 S805	V757-Y770 HydrophobicContact CG1-CD2 4.28Å; V758-Y770 WeakPolarHBondContact O-CA 3.43Å; Y770-L772 HydrophobicContact CD2-CB 4.38Å; Y770-L772 HydrophobicContact CE2-CB 4.39Å; Y770-Y787 HydrophobicContact CD2-CD2 4.03Å; Y770-Y787 HydrophobicContact CD2-CG 4.24Å; Y770-Y787 HydrophobicContact CE1-CG 4.41Å; Y770-Y787 HydrophobicContact CE2-CD1 4.24Å; Y770-Y787 AromaticContact CE2-CD2 3.56Å; Y770-Y787 HydrophobicContact CE2-CD2 3.56Å; Y770-Y787 HydrophobicContact CE2-CE2 4.34Å; Y770-Y787 AromaticContact CE2-CG 3.52Å; Y770-Y787 HydrophobicContact CE2-CG 3.52Å; Y770-Y787 AromaticContact CZ-CG 3.62Å; Y770-Y787 PolarHBondContact N-O 3.31Å; Y770-Y787 PolarHBondContact O-N 3.24Å; Y770-V789 HydrophobicContact CE1-CG2 4.34Å; Y770-I801 HydrophobicContact CE1-CG2 4.17Å; Y770-I801 PolarHBondContact OH-O 3.25Å; Y770-Q802 HydrophobicContact CD1-CG 4.04Å; Y770-Q802 HydrophobicContact CD2-CG 3.83Å; Y770-Q802 HydrophobicContact CE1-CG 4.1Å; Y770-Q802 HydrophobicContact CE2-CB 4.43Å; Y770-Q802 HydrophobicContact CE2-CG 3.88Å; Y770-Q802 HydrophobicContact CG-CG 3.91Å; Y770-S805 WeakPolarHBondContact OH-CB 3.27Å; Y770-S805 PolarHBondContact OH-OG 3.39Å
771	Y	97.1	Very high	83.3	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.9	169.7	-63.8	-88.2	0	0	0	109	H730 T732 F734 V757 V758 I762 P784 T785 K786	H730-Y771 AromaticContact CE1-CE1 3.92Å; H730-Y771 AromaticContact NE2-CE1 3.96Å; T732-Y771 HydrophobicContact CG2-CD1 4.29Å; T732-Y771 HydrophobicContact CG2-CE1 3.76Å; T732-Y771 HydrophobicContact CG2-CE2 4.19Å; T732-Y771 PolarHBondContact OG1-OH 2.92Å; F734-Y771 HydrophobicContact CE2-CD1 4.31Å; F734-Y771 HydrophobicContact CE2-CD2 4.07Å; F734-Y771 AromaticContact CE2-CG 3.87Å; F734-Y771 HydrophobicContact CE2-CG 3.87Å; F734-Y771 AromaticContact CZ-CD2 3.9Å; F734-Y771 HydrophobicContact CZ-CD2 3.9Å; F734-Y771 HydrophobicContact CZ-CE2 4.35Å; F734-Y771 HydrophobicContact CZ-CG 4.17Å; V757-Y771 CarbonylContact C-O 3.59Å; V757-Y771 VanDerWaalsContact CA-O 3.23Å; V757-Y771 WeakPolarHBondContact CA-O 3.4Å; V758-Y771 PolarHBondContact N-O 3.23Å; V758-Y771 PolarHBondContact O-N 3.1Å; I762-Y771 WeakPolarHBondContact O-CE2 3.45Å; Y771-P784 HydrophobicContact CD1-CG 3.89Å; Y771-P784 HydrophobicContact CG-CG 4.1Å; Y771-T785 CarbonylContact C-O 3.27Å; Y771-T785 WeakPolarHBondContact CA-O 3.44Å; Y771-K786 HydrophobicContact CD1-CB 3.82Å; Y771-K786 HydrophobicContact CD1-CG 3.98Å; Y771-K786 HydrophobicContact CE1-CB 3.69Å; Y771-K786 HydrophobicContact CE1-CD 3.76Å; Y771-K786 HydrophobicContact CE1-CG 3.59Å; Y771-K786 WeakPolarHBondContact OH-CE 3.17Å
772	L	97.8	Very high	83.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.6	176.8	165.4	68.8	0	0	0	109.9	T756 V757 Y770 P784 T785 Y787 Y806	T756-L772 WeakPolarHBondContact O-CA 3.42Å; V757-L772 HydrophobicContact CG2-CB 4.31Å; V757-L772 HydrophobicContact CG2-CD1 3.54Å; V757-L772 HydrophobicContact CG2-CG 4.5Å; Y770-L772 HydrophobicContact CD2-CB 4.38Å; Y770-L772 HydrophobicContact CE2-CB 4.39Å; L772-P784 VanDerWaalsContact C-CB 3.47Å; L772-P784 WeakPolarHBondContact O-CA 3.39Å; L772-P784 VanDerWaalsContact O-CB 3.29Å; L772-P784 WeakPolarHBondContact O-CB 3.37Å; L772-T785 PolarHBondContact N-O 3.35Å; L772-T785 PolarHBondContact O-N 3.39Å; L772-Y787 HydrophobicContact CB-CD2 4.21Å; L772-Y787 HydrophobicContact CB-CE2 3.76Å; L772-Y787 HydrophobicContact CD2-CE2 4.09Å; L772-Y787 HydrophobicContact CG-CE2 4.43Å; L772-Y806 HydrophobicContact CD1-CD2 3.93Å; L772-Y806 HydrophobicContact CD1-CG 4.06Å; L772-Y806 HydrophobicContact CD2-CD2 4.37Å; L772-Y806 HydrophobicContact CD2-CG 4.47Å
773	S	95.6	Very high	83.3	Confident	7 Å²	7	33.9 Å²	33.9	5%	0.049	20%	0.198	C	C	.	.			trans	-91.1	104.8	170.7	-172.1	0	0	0	0	109.9	G755 T756	G755-S773 PolarHBondContact N-O 3.48Å; T756-S773 PolarHBondContact O-N 3.32Å
774	S	95.8	Very high	83.8	Confident	2 Å²	2	34 Å²	34	1%	0.014	20%	0.198	C	C	.	.			trans	-119.6	-19.1	-177.5	49.4	0	0	0	0	114.1	A776 S818 I819 S820	S774-A776 PolarHBondContact O-N 3.19Å; S774-S818 CarbonylContact O-C 3.57Å; S774-S818 WeakPolarHBondContact O-CB 3.5Å; S774-S818 PolarHBondContact O-OG 3.1Å; S774-I819 CarbonylContact C-O 3.56Å; S774-I819 VanDerWaalsContact CB-O 3.27Å; S774-I819 WeakPolarHBondContact CB-O 3.49Å; S774-I819 PolarHBondContact OG-O 3.02Å; S774-S820 VanDerWaalsContact OG-C 3.3Å; S774-S820 WeakPolarHBondContact OG-CA 3.36Å; S774-S820 PolarHBondContact OG-O 3.1Å; S774-S820 VanDerWaalsContact OG-O 3.12Å
775	N	92.3	Very high	84.7	Confident	30 Å²	30	32.8 Å²	32.8	16%	0.16	19%	0.189	C	C	.	.			trans	-80.5	104.5	-175.7	-170.3	-20.4	0	0	0	112.6	I754 E777 M778 S818	I754-N775 VanDerWaalsContact CD1-O 3.28Å; I754-N775 WeakPolarHBondContact CD1-O 3.21Å; N775-E777 PolarHBondContact OD1-N 2.66Å; N775-M778 PolarHBondContact OD1-N 2.83Å; N775-M778 VanDerWaalsContact OD1-N 3.08Å; N775-S818 WeakPolarHBondContact CA-O 3.36Å
776	A	89.7	Confident	85.9	Confident	8 Å²	8	30.9 Å²	30.9	7%	0.066	17%	0.172	C	C	.	.	S	Bend	trans	-79	-18.6	178.7	0	0	0	0	0	114.3	I446 I754 S774 S818	I446-A776 HydrophobicContact CD1-CB 4.43Å; I446-A776 HydrophobicContact CG1-CB 3.77Å; I754-A776 HydrophobicContact CD1-CB 4.33Å; I754-A776 HydrophobicContact CG1-CB 3.96Å; S774-A776 PolarHBondContact O-N 3.19Å; A776-S818 PolarHBondContact N-O 2.92Å
777	E	83.6	Confident	87.3	Confident	107 Å²	107	28.6 Å²	28.6	50%	0.5	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-37.2	176.5	177.1	176.4	-135.7	0	0	112.2	N775 Y817	N775-E777 PolarHBondContact OD1-N 2.66Å; E777-Y817 HydrophobicContact CB-CD2 3.82Å; E777-Y817 HydrophobicContact CB-CE1 4.41Å; E777-Y817 HydrophobicContact CB-CE2 3.41Å; E777-Y817 VanDerWaalsContact CB-CE2 3.41Å; E777-Y817 HydrophobicContact CB-CG 4.48Å; E777-Y817 HydrophobicContact CG-CE2 4.28Å; E777-Y817 PolarHBondContact OE1-OH 2.87Å; E777-Y817 VanDerWaalsContact OE2-CZ 3.27Å; E777-Y817 PolarHBondContact OE2-OH 3.41Å
778	M	71.2	Confident	88.3	Confident	98 Å²	98	28.4 Å²	28.4	48%	0.483	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	35.7	-178.2	-60.6	-171.3	-178.3	0	0	112.5	N775 E780 S781	N775-M778 PolarHBondContact OD1-N 2.83Å; N775-M778 VanDerWaalsContact OD1-N 3.08Å; M778-E780 PolarHBondContact O-N 2.98Å; M778-E780 VanDerWaalsContact O-N 3.17Å; M778-S781 WeakPolarHBondContact O-CB 3.23Å; M778-S781 PolarHBondContact O-N 3.35Å; M778-S781 PolarHBondContact O-OG 3.28Å
779	Q	67.8	Low	88.8	Confident	26 Å²	26	27.7 Å²	27.7	12%	0.121	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-56.4	-34.6	-176.7	-164.9	179.2	3.7	0	0	112	N444 L751 L752 I754 S781 N782	N444-Q779 PolarHBondContact ND2-NE2 3.49Å; N444-Q779 PolarHBondContact ND2-OE1 3.43Å; L751-Q779 HydrophobicContact CB-CG 4.07Å; L751-Q779 HydrophobicContact CD1-CG 4.47Å; L751-Q779 HydrophobicContact CD2-CG 4.48Å; L752-Q779 PolarHBondContact O-NE2 3.3Å; I754-Q779 HydrophobicContact CD1-CB 4.47Å; I754-Q779 HydrophobicContact CD1-CG 4.03Å; Q779-S781 PolarHBondContact O-N 2.86Å; Q779-S781 VanDerWaalsContact O-N 3.12Å; Q779-N782 PolarHBondContact O-N 2.93Å; Q779-N782 PolarHBondContact O-OD1 2.79Å
780	E	64.6	Low	88.9	Confident	139 Å²	139	27.7 Å²	27.7	65%	0.65	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-58.1	-26	177.9	-62.7	-178.4	175.5	0	0	114.3	T383 L751 M778 N782	T383-E780 PolarHBondContact OG1-O 3.23Å; L751-E780 HydrophobicContact CD2-CB 4.37Å; L751-E780 HydrophobicContact CD2-CG 4.08Å; M778-E780 PolarHBondContact O-N 2.98Å; M778-E780 VanDerWaalsContact O-N 3.17Å; E780-N782 PolarHBondContact O-N 3.48Å
781	S	70.8	Confident	88.9	Confident	45 Å²	45	29 Å²	29	32%	0.315	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-66.5	-28.4	177.8	70.5	0	0	0	0	112.4	T383 Y733 M778 Q779 K783	T383-S781 PolarHBondContact OG1-O 2.81Å; T383-S781 VanDerWaalsContact OG1-O 3.04Å; Y733-S781 VanDerWaalsContact CD1-O 3.29Å; Y733-S781 WeakPolarHBondContact CD1-O 3.24Å; M778-S781 WeakPolarHBondContact O-CB 3.23Å; M778-S781 PolarHBondContact O-N 3.35Å; M778-S781 PolarHBondContact O-OG 3.28Å; Q779-S781 PolarHBondContact O-N 2.86Å; Q779-S781 VanDerWaalsContact O-N 3.12Å; S781-K783 PolarHBondContact O-N 2.84Å; S781-K783 PolarHBondContact OG-N 3.21Å
782	N	82.6	Confident	88.8	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.032	16%	0.155	C	C	.	.			trans	37.1	32.8	-166	-51.5	-58.2	0	0	0	114.5	T383 F734 L752 Q779 E780 P784	T383-N782 WeakPolarHBondContact CB-ND2 3.24Å; T383-N782 HydrophobicContact CG2-CB 4.32Å; T383-N782 VanDerWaalsContact OG1-CB 3.23Å; T383-N782 WeakPolarHBondContact OG1-CB 3.14Å; T383-N782 PolarHBondContact OG1-ND2 2.83Å; F734-N782 PolarHBondContact N-O 2.89Å; F734-N782 WeakPolarHBondContact O-CB 3.4Å; L752-N782 HydrophobicContact CB-CB 4.04Å; L752-N782 WeakPolarHBondContact CB-OD1 3.11Å; L752-N782 HydrophobicContact CD2-CB 4.47Å; L752-N782 PolarHBondContact N-OD1 3.45Å; Q779-N782 PolarHBondContact O-N 2.93Å; Q779-N782 PolarHBondContact O-OD1 2.79Å; E780-N782 PolarHBondContact O-N 3.48Å; N782-P784 VanDerWaalsContact O-CD 3.25Å; N782-P784 WeakPolarHBondContact O-CD 3.26Å
783	K	89.6	Confident	88.6	Confident	67 Å²	67	32.8 Å²	32.8	29%	0.291	16%	0.163	S	C	.	.			trans	-96.4	103.1	173.8	-174.2	176.5	164.5	177.7	0	107.6	T728 H730 Y733 S781	T728-K783 WeakPolarHBondContact O-CE 3.47Å; T728-K783 PolarHBondContact O-NZ 2.84Å; H730-K783 WeakPolarHBondContact O-CE 3.4Å; H730-K783 PolarHBondContact O-NZ 2.81Å; Y733-K783 HydrophobicContact CD1-CB 3.91Å; Y733-K783 HydrophobicContact CD1-CG 4.45Å; Y733-K783 HydrophobicContact CE1-CB 3.66Å; Y733-K783 HydrophobicContact CE1-CD 4.09Å; Y733-K783 HydrophobicContact CE1-CG 4.1Å; S781-K783 PolarHBondContact O-N 2.84Å; S781-K783 PolarHBondContact OG-N 3.21Å
784	P	94.3	Very high	88.6	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.026	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-71.2	169.1	176.2	31.7	-36.2	0	0	0	110.6	H730 F734 Y771 L772 N782	H730-P784 PolarHBondContact CE1-O 3.31Å; H730-P784 PolarHBondContact NE2-O 3.18Å; F734-P784 HydrophobicContact CD2-CG 3.59Å; F734-P784 HydrophobicContact CE2-CG 3.62Å; Y771-P784 HydrophobicContact CD1-CG 3.89Å; Y771-P784 HydrophobicContact CG-CG 4.1Å; L772-P784 VanDerWaalsContact C-CB 3.47Å; L772-P784 WeakPolarHBondContact O-CA 3.39Å; L772-P784 VanDerWaalsContact O-CB 3.29Å; L772-P784 WeakPolarHBondContact O-CB 3.37Å; N782-P784 VanDerWaalsContact O-CD 3.25Å; N782-P784 WeakPolarHBondContact O-CD 3.26Å
785	T	96.6	Very high	88.5	Confident	5 Å²	5	42 Å²	42	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.2	167	-63.4	0	0	0	0	109.2	V726 T728 Y771 L772 Y787 S820 V821	V726-T785 HydrophobicContact CG1-CG2 3.47Å; V726-T785 VanDerWaalsContact CG1-CG2 3.47Å; T728-T785 HydrophobicContact CG2-CG2 4.04Å; Y771-T785 CarbonylContact C-O 3.27Å; Y771-T785 WeakPolarHBondContact CA-O 3.44Å; L772-T785 PolarHBondContact N-O 3.35Å; L772-T785 PolarHBondContact O-N 3.39Å; T785-Y787 HydrophobicContact CG2-CD2 4.14Å; T785-Y787 HydrophobicContact CG2-CE2 3.47Å; T785-Y787 VanDerWaalsContact CG2-CE2 3.47Å; T785-Y787 WeakPolarHBondContact O-CD2 3.43Å; T785-Y787 WeakPolarHBondContact O-CE2 3.31Å; T785-S820 WeakPolarHBondContact CB-O 3.5Å; T785-S820 PolarHBondContact OG1-O 2.67Å; T785-V821 HydrophobicContact CG2-CG1 4.12Å
786	K	96.8	Very high	88.5	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.9	176.6	-167.8	-178.2	-167	-164.6	0	110.4	E692 T727 H730 Y771 Y788	E692-K786 IonicContact OE1-NZ 2.75Å; E692-K786 PolarHBondContact OE1-NZ 3.14Å; T727-K786 PolarHBondContact N-O 2.79Å; T727-K786 PolarHBondContact O-N 3.11Å; H730-K786 PolarHBondContact NE2-N 3.23Å; Y771-K786 HydrophobicContact CD1-CB 3.82Å; Y771-K786 HydrophobicContact CD1-CG 3.98Å; Y771-K786 HydrophobicContact CE1-CB 3.69Å; Y771-K786 HydrophobicContact CE1-CD 3.76Å; Y771-K786 HydrophobicContact CE1-CG 3.59Å; Y771-K786 WeakPolarHBondContact OH-CE 3.17Å; K786-Y788 HydrophobicContact CD-CD2 4.39Å; K786-Y788 HydrophobicContact CD-CE2 3.7Å; K786-Y788 WeakPolarHBondContact CE-OH 3.29Å; K786-Y788 HydrophobicContact CG-CD2 4.4Å; K786-Y788 HydrophobicContact CG-CE2 4.11Å; K786-Y788 PolarHBondContact NZ-OH 3.46Å
787	Y	97.8	Very high	88.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	178.8	-62.9	-104.4	0	0	0	109.3	F686 V724 V725 V726 N769 Y770 L772 T785 P822	F686-Y787 HydrophobicContact CE1-CD1 4.38Å; F686-Y787 HydrophobicContact CE1-CE1 4.35Å; V724-Y787 HydrophobicContact CG1-CD1 4.06Å; V725-Y787 CarbonylContact O-C 3.58Å; V725-Y787 VanDerWaalsContact O-CA 3.3Å; V725-Y787 WeakPolarHBondContact O-CA 3.19Å; V726-Y787 HydrophobicContact CG1-CD1 4.39Å; V726-Y787 HydrophobicContact CG1-CE1 4.05Å; V726-Y787 HydrophobicContact CG2-CD1 3.82Å; V726-Y787 HydrophobicContact CG2-CE1 3.9Å; N769-Y787 CarbonylContact C-O 3.56Å; N769-Y787 WeakPolarHBondContact CA-O 3.33Å; N769-Y787 WeakPolarHBondContact CB-O 3.46Å; Y770-Y787 HydrophobicContact CD2-CD2 4.03Å; Y770-Y787 HydrophobicContact CD2-CG 4.24Å; Y770-Y787 HydrophobicContact CE1-CG 4.41Å; Y770-Y787 HydrophobicContact CE2-CD1 4.24Å; Y770-Y787 AromaticContact CE2-CD2 3.56Å; Y770-Y787 HydrophobicContact CE2-CD2 3.56Å; Y770-Y787 HydrophobicContact CE2-CE2 4.34Å; Y770-Y787 AromaticContact CE2-CG 3.52Å; Y770-Y787 HydrophobicContact CE2-CG 3.52Å; Y770-Y787 AromaticContact CZ-CG 3.62Å; Y770-Y787 PolarHBondContact N-O 3.31Å; Y770-Y787 PolarHBondContact O-N 3.24Å; L772-Y787 HydrophobicContact CB-CD2 4.21Å; L772-Y787 HydrophobicContact CB-CE2 3.76Å; L772-Y787 HydrophobicContact CD2-CE2 4.09Å; L772-Y787 HydrophobicContact CG-CE2 4.43Å; T785-Y787 HydrophobicContact CG2-CD2 4.14Å; T785-Y787 HydrophobicContact CG2-CE2 3.47Å; T785-Y787 VanDerWaalsContact CG2-CE2 3.47Å; T785-Y787 WeakPolarHBondContact O-CD2 3.43Å; T785-Y787 WeakPolarHBondContact O-CE2 3.31Å; Y787-P822 HydrophobicContact CE1-CG 4Å; Y787-P822 WeakPolarHBondContact OH-CD 3.48Å
788	Y	95.8	Very high	89.2	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.5	170.4	-87.8	-90.9	0	0	0	109.9	E692 F695 V724 V725 S764 C768 N769 K786 I790	E692-Y788 HydrophobicContact CG-CE2 4.26Å; E692-Y788 VanDerWaalsContact OE1-CE2 3.32Å; E692-Y788 WeakPolarHBondContact OE1-CE2 3.28Å; E692-Y788 PolarHBondContact OE1-OH 2.95Å; F695-Y788 AromaticContact CE2-CD1 3.89Å; F695-Y788 HydrophobicContact CE2-CD1 3.89Å; F695-Y788 AromaticContact CE2-CD2 3.97Å; F695-Y788 HydrophobicContact CE2-CD2 3.97Å; F695-Y788 HydrophobicContact CE2-CE1 4.48Å; F695-Y788 HydrophobicContact CE2-CE2 4.48Å; F695-Y788 AromaticContact CE2-CG 3.66Å; F695-Y788 HydrophobicContact CE2-CG 3.66Å; F695-Y788 HydrophobicContact CZ-CD2 4.05Å; F695-Y788 HydrophobicContact CZ-CG 4.12Å; V724-Y788 CarbonylContact C-O 3.48Å; V724-Y788 WeakPolarHBondContact CA-O 3.42Å; V725-Y788 PolarHBondContact N-O 3.37Å; V725-Y788 PolarHBondContact O-N 2.84Å; S764-Y788 WeakPolarHBondContact CB-OH 3.49Å; S764-Y788 PolarHBondContact OG-OH 3.43Å; C768-Y788 WeakPolarHBondContact O-CA 3.4Å; N769-Y788 HydrophobicContact CB-CD1 3.37Å; N769-Y788 HydrophobicContact CB-CD2 3.93Å; N769-Y788 HydrophobicContact CB-CE1 3.25Å; N769-Y788 HydrophobicContact CB-CE2 3.87Å; N769-Y788 HydrophobicContact CB-CG 3.66Å; N769-Y788 VanDerWaalsContact CB-CZ 3.45Å; N769-Y788 VanDerWaalsContact CG-CZ 3.43Å; N769-Y788 WeakPolarHBondContact OD1-CE1 3.25Å; N769-Y788 PolarHBondContact OD1-OH 2.86Å; N769-Y788 VanDerWaalsContact OD1-OH 3.11Å; K786-Y788 HydrophobicContact CD-CD2 4.39Å; K786-Y788 HydrophobicContact CD-CE2 3.7Å; K786-Y788 WeakPolarHBondContact CE-OH 3.29Å; K786-Y788 HydrophobicContact CG-CD2 4.4Å; K786-Y788 HydrophobicContact CG-CE2 4.11Å; K786-Y788 PolarHBondContact NZ-OH 3.46Å; Y788-I790 PolarHBondContact O-N 3.33Å
789	V	95.8	Very high	90.4	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.4	165.2	-174.5	0	0	0	0	106.7	T722 V724 C768 Y770 D792 I801	T722-V789 HydrophobicContact CG2-CG1 4.26Å; V724-V789 HydrophobicContact CG2-CG2 4.26Å; C768-V789 HydrophobicContact CB-CB 4.19Å; C768-V789 PolarHBondContact O-N 2.93Å; Y770-V789 HydrophobicContact CE1-CG2 4.34Å; V789-D792 HydrophobicContact CG1-CB 4.08Å; V789-I801 HydrophobicContact CG2-CG1 4.16Å; V789-I801 HydrophobicContact CG2-CG2 4.3Å
790	I	94.9	Very high	91.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-16.8	-179.5	65.1	168.8	0	0	0	112.3	I20 A21 F695 L699 I723 V725 Y788	I20-I790 CarbonylContact C-O 3.49Å; I20-I790 WeakPolarHBondContact CA-O 3.45Å; I20-I790 HydrophobicContact CD1-CB 4.05Å; A21-I790 PolarHBondContact N-O 3.14Å; F695-I790 HydrophobicContact CB-CG2 4.4Å; F695-I790 HydrophobicContact CD2-CG2 3.61Å; F695-I790 HydrophobicContact CE2-CG2 3.94Å; F695-I790 HydrophobicContact CG-CG2 4.04Å; L699-I790 HydrophobicContact CB-CD1 4.21Å; I723-I790 HydrophobicContact CB-CD1 4.32Å; I723-I790 HydrophobicContact CB-CG1 3.85Å; I723-I790 HydrophobicContact CG2-CD1 3.77Å; I723-I790 HydrophobicContact CG2-CG1 3.76Å; I723-I790 PolarHBondContact O-N 3.27Å; V725-I790 HydrophobicContact CG2-CD1 3.86Å; V725-I790 HydrophobicContact CG2-CG1 4.33Å; V725-I790 HydrophobicContact CG2-CG2 3.97Å; Y788-I790 PolarHBondContact O-N 3.33Å
791	Y	95.7	Very high	93.2	Very high	33 Å²	33	30.4 Å²	30.4	13%	0.129	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	139.2	177.9	-174.8	-107.7	0	0	0	110.4	A18 L699 L703 L721 T722 I723 E793	A18-Y791 HydrophobicContact CB-CE2 4.04Å; L699-Y791 VanDerWaalsContact CD1-CB 3.48Å; L699-Y791 HydrophobicContact CD1-CD1 4.25Å; L699-Y791 HydrophobicContact CD1-CD2 3.87Å; L699-Y791 HydrophobicContact CD1-CG 3.62Å; L699-Y791 HydrophobicContact CD2-CD2 4.23Å; L703-Y791 HydrophobicContact CD1-CE1 3.99Å; L703-Y791 HydrophobicContact CD2-CE2 4.43Å; L721-Y791 HydrophobicContact CB-CE1 4.3Å; L721-Y791 HydrophobicContact CG-CD1 4.45Å; L721-Y791 WeakPolarHBondContact O-CD1 3.44Å; T722-Y791 CarbonylContact C-O 3.54Å; T722-Y791 VanDerWaalsContact CA-O 3.29Å; T722-Y791 WeakPolarHBondContact CA-O 3.26Å; T722-Y791 WeakPolarHBondContact CG2-O 3.32Å; I723-Y791 HydrophobicContact CG1-CD1 4.37Å; I723-Y791 PolarHBondContact N-O 2.8Å; I723-Y791 PolarHBondContact O-N 2.96Å; Y791-E793 HydrophobicContact CE1-CG 3.63Å; Y791-E793 VanDerWaalsContact OH-CG 3.29Å; Y791-E793 WeakPolarHBondContact OH-CG 3.47Å; Y791-E793 PolarHBondContact OH-OE1 3.41Å
792	D	95	Very high	94.5	Very high	47 Å²	47	28.4 Å²	28.4	25%	0.251	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	101.7	179.4	-175.3	30.4	0	0	0	113.3	T722 V789 N794 K795 L796	T722-D792 HydrophobicContact CG2-CB 4.06Å; T722-D792 PolarHBondContact OG1-OD1 2.99Å; V789-D792 HydrophobicContact CG1-CB 4.08Å; D792-N794 PolarHBondContact OD1-N 3.07Å; D792-K795 PolarHBondContact OD1-N 3.45Å; D792-K795 WeakPolarHBondContact OD2-CA 3.06Å; D792-K795 PolarHBondContact OD2-N 2.93Å; D792-L796 PolarHBondContact OD2-N 3.35Å
793	E	95.2	Very high	95.2	Very high	36 Å²	36	28.6 Å²	28.6	17%	0.168	14%	0.141	C	C	.	.	S	Bend	trans	-89.8	-18.3	167.3	-72.6	176.9	145.5	0	0	113	R707 R718 N720 L721 Y791 K795	R707-E793 IonicContact CZ-OE1 3.15Å; R707-E793 IonicContact CZ-OE2 3.99Å; R707-E793 IonicContact NH2-OE1 3.79Å; R707-E793 PolarHBondContact NH2-OE1 3.19Å; R707-E793 IonicContact NH2-OE2 3.16Å; R707-E793 PolarHBondContact NH2-OE2 3.41Å; R718-E793 IonicContact NH2-OE1 3.63Å; R718-E793 PolarHBondContact NH2-OE1 2.97Å; N720-E793 HydrophobicContact CB-CB 4.08Å; L721-E793 PolarHBondContact N-OE2 3.27Å; L721-E793 PolarHBondContact O-N 3.5Å; Y791-E793 HydrophobicContact CE1-CG 3.63Å; Y791-E793 VanDerWaalsContact OH-CG 3.29Å; Y791-E793 WeakPolarHBondContact OH-CG 3.47Å; Y791-E793 PolarHBondContact OH-OE1 3.41Å; E793-K795 PolarHBondContact O-N 3.15Å
794	N	95.1	Very high	95.6	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.102	13%	0.127	C	C	.	.	S	Bend	trans	-73.4	-14.9	179.4	-67.8	-53.9	0	0	0	112	Q682 V683 N720 T722 D792 L796	Q682-N794 VanDerWaalsContact CG-OD1 3.25Å; Q682-N794 WeakPolarHBondContact CG-OD1 3.45Å; Q682-N794 PolarHBondContact OE1-OD1 2.92Å; V683-N794 PolarHBondContact O-ND2 3.05Å; N720-N794 WeakPolarHBondContact CB-OD1 3.43Å; T722-N794 PolarHBondContact N-ND2 3.39Å; T722-N794 WeakPolarHBondContact OG1-CB 3.38Å; T722-N794 PolarHBondContact OG1-ND2 3.4Å; D792-N794 PolarHBondContact OD1-N 3.07Å; N794-L796 VanDerWaalsContact C-N 3.31Å; N794-L796 HydrophobicContact CB-CD1 4.16Å; N794-L796 HydrophobicContact CB-CD2 4.16Å; N794-L796 HydrophobicContact CB-CG 3.76Å
795	K	92.8	Very high	95.8	Very high	184 Å²	184	25.2 Å²	25.2	80%	0.8	13%	0.126	S	C	*	.			trans	58.1	46.5	-179.5	-53.7	178.3	-177.4	-179.4	0	110.6	D792 E793 D797	D792-K795 PolarHBondContact OD1-N 3.45Å; D792-K795 WeakPolarHBondContact OD2-CA 3.06Å; D792-K795 PolarHBondContact OD2-N 2.93Å; E793-K795 PolarHBondContact O-N 3.15Å; K795-D797 PolarHBondContact O-N 3.36Å
796	L	92.9	Very high	95.9	Very high	18 Å²	18	25 Å²	25	9%	0.094	13%	0.125	C	C	.	.			trans	-79.3	115.5	176.1	-57.8	176	0	0	0	107.6	I684 D792 N794 V800 I801 I804	I684-L796 HydrophobicContact CD1-CD1 3.89Å; I684-L796 HydrophobicContact CG1-CD1 4.26Å; D792-L796 PolarHBondContact OD2-N 3.35Å; N794-L796 VanDerWaalsContact C-N 3.31Å; N794-L796 HydrophobicContact CB-CD1 4.16Å; N794-L796 HydrophobicContact CB-CD2 4.16Å; N794-L796 HydrophobicContact CB-CG 3.76Å; L796-V800 HydrophobicContact CB-CG1 4.34Å; L796-V800 HydrophobicContact CD2-CG1 3.93Å; L796-I801 HydrophobicContact CB-CB 4.4Å; L796-I801 HydrophobicContact CD1-CD1 3.96Å; L796-I804 HydrophobicContact CD1-CD1 4.41Å
797	D	93.3	Very high	96	Very high	80 Å²	80	25.4 Å²	25.4	43%	0.428	13%	0.126	S	C	.	.			trans	-63.8	168.7	174.3	68.9	48.1	0	0	0	111.7	K795 D799 V800 I801	K795-D797 PolarHBondContact O-N 3.36Å; D797-D799 VanDerWaalsContact C-N 3.32Å; D797-D799 PolarHBondContact O-N 2.97Å; D797-D799 PolarHBondContact OD1-N 2.95Å; D797-V800 PolarHBondContact O-N 3.43Å; D797-V800 VanDerWaalsContact OD1-CG2 3.32Å; D797-V800 WeakPolarHBondContact OD1-CG2 3.48Å; D797-V800 PolarHBondContact OD1-N 2.87Å; D797-I801 PolarHBondContact O-N 3.44Å
798	A	94.2	Very high	96	Very high	18 Å²	18	25.5 Å²	25.5	15%	0.149	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-40.8	-175.9	0	0	0	0	0	112.7	I801 Q802	A798-I801 WeakPolarHBondContact O-CG2 3.23Å; A798-Q802 VanDerWaalsContact O-CB 3.25Å; A798-Q802 WeakPolarHBondContact O-CB 3.33Å; A798-Q802 WeakPolarHBondContact O-CG 3.36Å; A798-Q802 PolarHBondContact O-N 2.89Å; A798-Q802 VanDerWaalsContact O-N 3.16Å; A798-Q802 PolarHBondContact O-NE2 2.93Å; A798-Q802 PolarHBondContact O-OE1 3.1Å
799	D	95.9	Very high	96.1	Very high	29 Å²	29	25 Å²	25	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-40.3	-178.9	-75.7	-49.2	0	0	0	111.1	G27 N28 V29 R422 D797 A803	G27-D799 VanDerWaalsContact CA-CG 3.48Å; G27-D799 WeakPolarHBondContact CA-OD1 3.41Å; G27-D799 WeakPolarHBondContact CA-OD2 3.23Å; N28-D799 PolarHBondContact N-OD1 3.13Å; N28-D799 PolarHBondContact N-OD2 3.44Å; V29-D799 HydrophobicContact CB-CB 4.29Å; V29-D799 HydrophobicContact CG2-CB 3.96Å; V29-D799 PolarHBondContact N-OD1 3.19Å; V29-D799 PolarHBondContact N-OD2 2.89Å; R422-D799 IonicContact CZ-OD1 2.64Å; R422-D799 IonicContact NH1-OD1 2.72Å; R422-D799 PolarHBondContact NH1-OD1 3.15Å; R422-D799 IonicContact NH2-OD1 3.82Å; D797-D799 VanDerWaalsContact C-N 3.32Å; D797-D799 PolarHBondContact O-N 2.97Å; D797-D799 PolarHBondContact OD1-N 2.95Å; D799-A803 VanDerWaalsContact O-CB 3.22Å; D799-A803 WeakPolarHBondContact O-CB 3.44Å; D799-A803 PolarHBondContact O-N 2.95Å
800	V	96.2	Very high	96.1	Very high	12 Å²	12	24.6 Å²	24.6	7%	0.073	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-49.8	178.5	173.1	0	0	0	0	111.5	H604 L796 D797 Q802 A803 I804	H604-V800 HydrophobicContact CB-CG1 3.93Å; L796-V800 HydrophobicContact CB-CG1 4.34Å; L796-V800 HydrophobicContact CD2-CG1 3.93Å; D797-V800 PolarHBondContact O-N 3.43Å; D797-V800 VanDerWaalsContact OD1-CG2 3.32Å; D797-V800 WeakPolarHBondContact OD1-CG2 3.48Å; D797-V800 PolarHBondContact OD1-N 2.87Å; V800-Q802 VanDerWaalsContact C-N 3.33Å; V800-Q802 PolarHBondContact O-N 3.16Å; V800-A803 PolarHBondContact O-N 3.4Å; V800-I804 HydrophobicContact CG1-CD1 3.73Å; V800-I804 HydrophobicContact CG1-CG1 4.4Å; V800-I804 WeakPolarHBondContact O-CB 3.48Å; V800-I804 WeakPolarHBondContact O-CG1 3.35Å; V800-I804 PolarHBondContact O-N 2.92Å
801	I	96.4	Very high	96.2	Very high	6 Å²	6	25 Å²	25	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-34.2	-177.2	-166.2	59.8	0	0	0	112.3	V724 Y770 V789 L796 D797 A798 S805	V724-I801 HydrophobicContact CG2-CD1 4.09Å; V724-I801 HydrophobicContact CG2-CG1 4.29Å; Y770-I801 HydrophobicContact CE1-CG2 4.17Å; Y770-I801 PolarHBondContact OH-O 3.25Å; V789-I801 HydrophobicContact CG2-CG1 4.16Å; V789-I801 HydrophobicContact CG2-CG2 4.3Å; L796-I801 HydrophobicContact CB-CB 4.4Å; L796-I801 HydrophobicContact CD1-CD1 3.96Å; D797-I801 PolarHBondContact O-N 3.44Å; A798-I801 WeakPolarHBondContact O-CG2 3.23Å; I801-S805 WeakPolarHBondContact O-CB 3.48Å; I801-S805 PolarHBondContact O-N 2.89Å; I801-S805 PolarHBondContact O-OG 2.85Å
802	Q	97.9	Very high	96.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-44	175	-69.9	164.7	13.3	0	0	111	L424 V757 D759 Y770 A798 V800 S805 Y806	L424-Q802 HydrophobicContact CD1-CB 4.19Å; V757-Q802 HydrophobicContact CG1-CG 4.08Å; D759-Q802 PolarHBondContact OD2-NE2 2.93Å; Y770-Q802 HydrophobicContact CD1-CG 4.04Å; Y770-Q802 HydrophobicContact CD2-CG 3.83Å; Y770-Q802 HydrophobicContact CE1-CG 4.1Å; Y770-Q802 HydrophobicContact CE2-CB 4.43Å; Y770-Q802 HydrophobicContact CE2-CG 3.88Å; Y770-Q802 HydrophobicContact CG-CG 3.91Å; A798-Q802 VanDerWaalsContact O-CB 3.25Å; A798-Q802 WeakPolarHBondContact O-CB 3.33Å; A798-Q802 WeakPolarHBondContact O-CG 3.36Å; A798-Q802 PolarHBondContact O-N 2.89Å; A798-Q802 VanDerWaalsContact O-N 3.16Å; A798-Q802 PolarHBondContact O-NE2 2.93Å; A798-Q802 PolarHBondContact O-OE1 3.1Å; V800-Q802 VanDerWaalsContact C-N 3.33Å; V800-Q802 PolarHBondContact O-N 3.16Å; Q802-S805 PolarHBondContact O-N 3.29Å; Q802-Y806 WeakPolarHBondContact O-CB 3.22Å; Q802-Y806 PolarHBondContact O-N 2.86Å
803	A	97.9	Very high	95.9	Very high	9 Å²	9	21.7 Å²	21.7	7%	0.074	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-47.1	176.3	0	0	0	0	0	111.9	V600 D799 V800 S805 Y806 Y807	V600-A803 HydrophobicContact CG1-CB 3.97Å; V600-A803 HydrophobicContact CG2-CB 4.14Å; D799-A803 VanDerWaalsContact O-CB 3.22Å; D799-A803 WeakPolarHBondContact O-CB 3.44Å; D799-A803 PolarHBondContact O-N 2.95Å; V800-A803 PolarHBondContact O-N 3.4Å; A803-S805 VanDerWaalsContact C-N 3.33Å; A803-S805 PolarHBondContact O-N 3.36Å; A803-Y806 PolarHBondContact O-N 3.46Å; A803-Y807 WeakPolarHBondContact O-CB 3.43Å; A803-Y807 WeakPolarHBondContact O-CD1 3.49Å; A803-Y807 VanDerWaalsContact O-CG 3.23Å; A803-Y807 PolarHBondContact O-N 2.97Å
804	I	97.7	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-49.1	175.6	-71.9	169.4	0	0	0	110.5	V600 H604 L605 I684 L796 V800 Y806 Y807 L808	V600-I804 HydrophobicContact CG1-CG1 3.93Å; H604-I804 HydrophobicContact CB-CD1 4.14Å; L605-I804 HydrophobicContact CD1-CG1 4.31Å; L605-I804 HydrophobicContact CD1-CG2 4.33Å; L605-I804 HydrophobicContact CD2-CD1 3.98Å; L605-I804 HydrophobicContact CD2-CG1 4.25Å; L605-I804 HydrophobicContact CD2-CG2 4.11Å; L605-I804 HydrophobicContact CG-CD1 4.29Å; L605-I804 HydrophobicContact CG-CG1 4.22Å; I684-I804 HydrophobicContact CD1-CD1 4.1Å; I684-I804 HydrophobicContact CD1-CG2 4.3Å; L796-I804 HydrophobicContact CD1-CD1 4.41Å; V800-I804 HydrophobicContact CG1-CD1 3.73Å; V800-I804 HydrophobicContact CG1-CG1 4.4Å; V800-I804 WeakPolarHBondContact O-CB 3.48Å; V800-I804 WeakPolarHBondContact O-CG1 3.35Å; V800-I804 PolarHBondContact O-N 2.92Å; I804-Y806 VanDerWaalsContact C-N 3.26Å; I804-Y806 PolarHBondContact O-N 3.25Å; I804-Y807 PolarHBondContact O-N 3.24Å; I804-L808 HydrophobicContact CG2-CD1 3.8Å; I804-L808 HydrophobicContact CG2-CG 4.35Å; I804-L808 WeakPolarHBondContact O-CB 3.23Å; I804-L808 VanDerWaalsContact O-CG 3.26Å; I804-L808 WeakPolarHBondContact O-CG 3.04Å; I804-L808 PolarHBondContact O-N 3.11Å
805	S	98.3	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61	-38.1	-179.6	-61.1	0	0	0	0	112	Y770 I801 Q802 A803 C809	Y770-S805 WeakPolarHBondContact OH-CB 3.27Å; Y770-S805 PolarHBondContact OH-OG 3.39Å; I801-S805 WeakPolarHBondContact O-CB 3.48Å; I801-S805 PolarHBondContact O-N 2.89Å; I801-S805 PolarHBondContact O-OG 2.85Å; Q802-S805 PolarHBondContact O-N 3.29Å; A803-S805 VanDerWaalsContact C-N 3.33Å; A803-S805 PolarHBondContact O-N 3.36Å; S805-C809 PolarHBondContact O-SG 3.49Å
806	Y	98.3	Very high	95.7	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-71.6	-41.7	176.2	-179.2	-140.6	0	0	0	113.3	L424 Q425 I754 G755 L772 Q802 A803 I804 C809 Y810	L424-Y806 HydrophobicContact CB-CD1 3.87Å; L424-Y806 HydrophobicContact CB-CE1 4.01Å; L424-Y806 HydrophobicContact CD1-CD1 4.3Å; Q425-Y806 WeakPolarHBondContact O-CE1 3.1Å; I754-Y806 HydrophobicContact CG2-CE2 4Å; I754-Y806 PolarHBondContact O-OH 2.97Å; G755-Y806 WeakPolarHBondContact CA-OH 3.24Å; G755-Y806 PolarHBondContact N-OH 3.29Å; L772-Y806 HydrophobicContact CD1-CD2 3.93Å; L772-Y806 HydrophobicContact CD1-CG 4.06Å; L772-Y806 HydrophobicContact CD2-CD2 4.37Å; L772-Y806 HydrophobicContact CD2-CG 4.47Å; Q802-Y806 WeakPolarHBondContact O-CB 3.22Å; Q802-Y806 PolarHBondContact O-N 2.86Å; A803-Y806 PolarHBondContact O-N 3.46Å; I804-Y806 VanDerWaalsContact C-N 3.26Å; I804-Y806 PolarHBondContact O-N 3.25Å; Y806-C809 VanDerWaalsContact O-CB 3.25Å; Y806-C809 WeakPolarHBondContact O-CB 3.28Å; Y806-C809 PolarHBondContact O-N 2.78Å; Y806-Y810 AromaticContact CD2-CE2 4Å; Y806-Y810 HydrophobicContact CD2-CE2 4Å; Y806-Y810 HydrophobicContact CE1-CE2 4.33Å; Y806-Y810 AromaticContact CE2-CE2 3.52Å; Y806-Y810 HydrophobicContact CE2-CE2 3.52Å; Y806-Y810 AromaticContact CZ-CE2 3.72Å; Y806-Y810 AromaticContact CZ-CZ 3.98Å; Y806-Y810 WeakPolarHBondContact O-CD2 3.47Å; Y806-Y810 PolarHBondContact OH-OH 3.07Å
807	Y	97.9	Very high	95.7	Very high	18 Å²	18	14.4 Å²	14.4	7%	0.071	8%	0.082	C	C	.	.	H	α-helix	trans	-69.7	-40	-175.4	-75.1	13.3	0	0	0	111.7	Q425 P427 I595 D598 V600 A803 I804 C809 Y810	Q425-Y807 WeakPolarHBondContact O-CE1 3.25Å; P427-Y807 HydrophobicContact CB-CD1 3.93Å; P427-Y807 HydrophobicContact CB-CD2 4Å; P427-Y807 HydrophobicContact CB-CE1 4.06Å; P427-Y807 HydrophobicContact CB-CE2 4.1Å; P427-Y807 HydrophobicContact CB-CG 3.89Å; P427-Y807 HydrophobicContact CG-CD1 3.79Å; P427-Y807 HydrophobicContact CG-CE1 4.25Å; P427-Y807 HydrophobicContact CG-CG 3.94Å; I595-Y807 HydrophobicContact CD1-CD2 4.39Å; D598-Y807 HydrophobicContact CB-CE2 4.49Å; D598-Y807 PolarHBondContact OD1-OH 3.35Å; D598-Y807 VanDerWaalsContact OD2-CE2 3.31Å; D598-Y807 WeakPolarHBondContact OD2-CE2 3.42Å; V600-Y807 HydrophobicContact CB-CE2 4.01Å; V600-Y807 HydrophobicContact CG2-CE2 4.42Å; A803-Y807 WeakPolarHBondContact O-CB 3.43Å; A803-Y807 WeakPolarHBondContact O-CD1 3.49Å; A803-Y807 VanDerWaalsContact O-CG 3.23Å; A803-Y807 PolarHBondContact O-N 2.97Å; I804-Y807 PolarHBondContact O-N 3.24Å; Y807-C809 PolarHBondContact O-N 2.87Å; Y807-C809 VanDerWaalsContact O-N 3.15Å; Y807-Y810 WeakPolarHBondContact O-CB 3.46Å; Y807-Y810 PolarHBondContact O-N 2.92Å
808	L	98	Very high	95.9	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.4	175.1	-67.5	174.4	0	0	0	112.8	V612 C641 F686 I804 Y810 L811 P822 A823	V612-L808 HydrophobicContact CG1-CD1 3.82Å; C641-L808 HydrophobicContact CB-CD2 3.99Å; F686-L808 HydrophobicContact CE2-CD1 3.82Å; F686-L808 HydrophobicContact CZ-CD1 4.23Å; I804-L808 HydrophobicContact CG2-CD1 3.8Å; I804-L808 HydrophobicContact CG2-CG 4.35Å; I804-L808 WeakPolarHBondContact O-CB 3.23Å; I804-L808 VanDerWaalsContact O-CG 3.26Å; I804-L808 WeakPolarHBondContact O-CG 3.04Å; I804-L808 PolarHBondContact O-N 3.11Å; L808-Y810 PolarHBondContact O-N 2.85Å; L808-L811 HydrophobicContact CD2-CD1 4Å; L808-L811 PolarHBondContact O-N 2.78Å; L808-P822 HydrophobicContact CB-CB 3.73Å; L808-P822 HydrophobicContact CD1-CB 4.22Å; L808-A823 WeakPolarHBondContact O-CB 3.21Å; L808-A823 PolarHBondContact O-N 3.42Å
809	C	97.8	Very high	96	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17.5	173.3	-67.3	0	0	0	0	113.5	S805 Y806 Y807 S818 I819 V821	S805-C809 PolarHBondContact O-SG 3.49Å; Y806-C809 VanDerWaalsContact O-CB 3.25Å; Y806-C809 WeakPolarHBondContact O-CB 3.28Å; Y806-C809 PolarHBondContact O-N 2.78Å; Y807-C809 PolarHBondContact O-N 2.87Å; Y807-C809 VanDerWaalsContact O-N 3.15Å; C809-S818 VanDerWaalsContact CB-OG 3.24Å; C809-S818 WeakPolarHBondContact CB-OG 3.48Å; C809-S818 PolarHBondContact O-OG 3.16Å; C809-I819 WeakPolarHBondContact CB-O 3.01Å; C809-I819 VanDerWaalsContact O-CG1 3.24Å; C809-I819 WeakPolarHBondContact O-CG1 3.22Å; C809-I819 PolarHBondContact O-N 3.36Å; C809-I819 VanDerWaalsContact O-N 3.14Å; C809-I819 PolarHBondContact SG-O 2.98Å; C809-V821 PolarHBondContact SG-O 3.4Å; C809-V821 VanDerWaalsContact SG-O 3.35Å
810	Y	97.4	Very high	95.9	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-85.7	-10.5	176.4	-69.7	-98.4	0	0	0	113.1	A426 P427 L429 P442 G445 W447 Y806 Y807 L808 S818	A426-Y810 HydrophobicContact CB-CE1 4.43Å; A426-Y810 VanDerWaalsContact CB-OH 3.31Å; A426-Y810 WeakPolarHBondContact CB-OH 3.38Å; P427-Y810 VanDerWaalsContact CD-CE2 3.45Å; P427-Y810 HydrophobicContact CG-CD1 4.45Å; P427-Y810 HydrophobicContact CG-CD2 3.57Å; P427-Y810 HydrophobicContact CG-CE2 3.94Å; P427-Y810 HydrophobicContact CG-CG 3.86Å; L429-Y810 HydrophobicContact CD1-CD1 4.32Å; P442-Y810 HydrophobicContact CB-CD1 4.34Å; P442-Y810 HydrophobicContact CB-CE1 3.64Å; P442-Y810 HydrophobicContact CG-CD1 3.93Å; P442-Y810 HydrophobicContact CG-CE1 3.7Å; G445-Y810 WeakPolarHBondContact CA-OH 3.39Å; W447-Y810 HydrophobicContact CE3-CD1 4.2Å; W447-Y810 HydrophobicContact CE3-CE1 4.48Å; W447-Y810 HydrophobicContact CH2-CD1 4.14Å; W447-Y810 AromaticContact CZ3-CD1 3.53Å; W447-Y810 HydrophobicContact CZ3-CD1 3.53Å; W447-Y810 HydrophobicContact CZ3-CE1 4.07Å; Y806-Y810 AromaticContact CD2-CE2 4Å; Y806-Y810 HydrophobicContact CD2-CE2 4Å; Y806-Y810 HydrophobicContact CE1-CE2 4.33Å; Y806-Y810 AromaticContact CE2-CE2 3.52Å; Y806-Y810 HydrophobicContact CE2-CE2 3.52Å; Y806-Y810 AromaticContact CZ-CE2 3.72Å; Y806-Y810 AromaticContact CZ-CZ 3.98Å; Y806-Y810 WeakPolarHBondContact O-CD2 3.47Å; Y806-Y810 PolarHBondContact OH-OH 3.07Å; Y807-Y810 WeakPolarHBondContact O-CB 3.46Å; Y807-Y810 PolarHBondContact O-N 2.92Å; L808-Y810 PolarHBondContact O-N 2.85Å; Y810-S818 WeakPolarHBondContact CE2-OG 3.23Å
811	L	95.9	Very high	96	Very high	10 Å²	10	10.4 Å²	10.4	5%	0.052	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	15.1	-171.7	-62.6	-175.8	0	0	0	114.9	I595 C641 L808 G813 A823	I595-L811 HydrophobicContact CD1-CD1 3.97Å; I595-L811 HydrophobicContact CD1-CG 4.33Å; I595-L811 HydrophobicContact CG1-CD1 4.4Å; I595-L811 HydrophobicContact CG1-CD2 4.13Å; I595-L811 HydrophobicContact CG1-CG 4.41Å; C641-L811 HydrophobicContact CB-CD1 3.97Å; L808-L811 HydrophobicContact CD2-CD1 4Å; L808-L811 PolarHBondContact O-N 2.78Å; L811-G813 PolarHBondContact O-N 3.13Å; L811-A823 HydrophobicContact CB-CB 3.89Å
812	N	93.4	Very high	96.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.3	174.8	95.7	89.1	0	0	0	112.4	C814 V815 I819 F827	N812-C814 PolarHBondContact O-N 2.88Å; N812-C814 WeakPolarHBondContact OD1-CA 3.26Å; N812-C814 WeakPolarHBondContact OD1-CB 3.46Å; N812-C814 PolarHBondContact OD1-N 3.41Å; N812-V815 WeakPolarHBondContact ND2-CG2 3.28Å; N812-V815 PolarHBondContact OD1-N 2.9Å; N812-I819 HydrophobicContact CB-CD1 3.63Å; N812-I819 HydrophobicContact CB-CG1 4.03Å; N812-I819 HydrophobicContact CB-CG2 4.24Å; N812-F827 WeakPolarHBondContact O-CZ 3.3Å
813	G	91.6	Very high	96.1	Very high	7 Å²	7	10 Å²	10	7%	0.072	6%	0.059	C	C	.	.			trans	69.3	-20.3	175.9	0	0	0	0	0	116.3	L582 N592 L811	L582-G813 WeakPolarHBondContact CB-O 3.41Å; N592-G813 PolarHBondContact ND2-O 2.64Å; L811-G813 PolarHBondContact O-N 3.13Å
814	C	91.8	Very high	96.1	Very high	21 Å²	21	9.5 Å²	9.5	14%	0.142	6%	0.056	C	C	.	.	S	Bend	trans	-83.7	-16.6	-176.5	-63.8	0	0	0	0	114.1	N812 V880	N812-C814 PolarHBondContact O-N 2.88Å; N812-C814 WeakPolarHBondContact OD1-CA 3.26Å; N812-C814 WeakPolarHBondContact OD1-CB 3.46Å; N812-C814 PolarHBondContact OD1-N 3.41Å; C814-V880 WeakPolarHBondContact SG-CG1 3.44Å
815	V	92.6	Very high	96.2	Very high	18 Å²	18	9.5 Å²	9.5	11%	0.109	6%	0.056	C	C	.	.	S	Bend	trans	-137.3	161.4	-179.4	-62.7	0	0	0	0	111.1	N812 Y817 I819	N812-V815 WeakPolarHBondContact ND2-CG2 3.28Å; N812-V815 PolarHBondContact OD1-N 2.9Å; V815-Y817 VanDerWaalsContact C-N 3.34Å; V815-Y817 HydrophobicContact CB-CD1 3.79Å; V815-Y817 HydrophobicContact CB-CE1 3.41Å; V815-Y817 VanDerWaalsContact CB-CE1 3.41Å; V815-Y817 HydrophobicContact CB-CE2 4.4Å; V815-Y817 HydrophobicContact CB-CG 4.41Å; V815-Y817 HydrophobicContact CG1-CE1 3.74Å; V815-Y817 HydrophobicContact CG2-CD1 3.95Å; V815-Y817 HydrophobicContact CG2-CD2 3.99Å; V815-Y817 HydrophobicContact CG2-CE1 3.68Å; V815-Y817 HydrophobicContact CG2-CE2 3.73Å; V815-Y817 HydrophobicContact CG2-CG 4.08Å; V815-I819 HydrophobicContact CG2-CG2 4.12Å
816	T	93.3	Very high	96.2	Very high	35 Å²	35	11.7 Å²	11.7	22%	0.215	7%	0.065	C	C	.	.	S	Bend	trans	-101.9	39.1	-178.3	64	0	0	0	0	112.2	W447 M449 L582	W447-T816 PolarHBondContact N-O 3.36Å; W447-T816 WeakPolarHBondContact O-CB 3.44Å; W447-T816 VanDerWaalsContact O-O 3.09Å; W447-T816 PolarHBondContact O-OG1 3.4Å; W447-T816 VanDerWaalsContact O-OG1 3.09Å; M449-T816 HydrophobicContact CB-CG2 4.42Å; M449-T816 HydrophobicContact CG-CG2 3.48Å; M449-T816 VanDerWaalsContact CG-CG2 3.48Å; L582-T816 HydrophobicContact CD1-CG2 3.89Å
817	Y	94.7	Very high	96.2	Very high	30 Å²	30	11.7 Å²	11.7	12%	0.118	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-147.4	155.8	174	60.2	-97.5	0	0	0	110	G445 E777 V815 I819	G445-Y817 CarbonylContact O-C 3.42Å; G445-Y817 WeakPolarHBondContact O-CA 3.38Å; E777-Y817 HydrophobicContact CB-CD2 3.82Å; E777-Y817 HydrophobicContact CB-CE1 4.41Å; E777-Y817 HydrophobicContact CB-CE2 3.41Å; E777-Y817 VanDerWaalsContact CB-CE2 3.41Å; E777-Y817 HydrophobicContact CB-CG 4.48Å; E777-Y817 HydrophobicContact CG-CE2 4.28Å; E777-Y817 PolarHBondContact OE1-OH 2.87Å; E777-Y817 VanDerWaalsContact OE2-CZ 3.27Å; E777-Y817 PolarHBondContact OE2-OH 3.41Å; V815-Y817 VanDerWaalsContact C-N 3.34Å; V815-Y817 HydrophobicContact CB-CD1 3.79Å; V815-Y817 HydrophobicContact CB-CE1 3.41Å; V815-Y817 VanDerWaalsContact CB-CE1 3.41Å; V815-Y817 HydrophobicContact CB-CE2 4.4Å; V815-Y817 HydrophobicContact CB-CG 4.41Å; V815-Y817 HydrophobicContact CG1-CE1 3.74Å; V815-Y817 HydrophobicContact CG2-CD1 3.95Å; V815-Y817 HydrophobicContact CG2-CD2 3.99Å; V815-Y817 HydrophobicContact CG2-CE1 3.68Å; V815-Y817 HydrophobicContact CG2-CE2 3.73Å; V815-Y817 HydrophobicContact CG2-CG 4.08Å; Y817-I819 HydrophobicContact CE2-CG2 4.22Å
818	S	96.6	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.			trans	-73.1	136.5	177.6	-168.2	0	0	0	0	111.1	G445 S774 N775 A776 C809 Y810	G445-S818 PolarHBondContact O-N 2.88Å; S774-S818 CarbonylContact O-C 3.57Å; S774-S818 WeakPolarHBondContact O-CB 3.5Å; S774-S818 PolarHBondContact O-OG 3.1Å; N775-S818 WeakPolarHBondContact CA-O 3.36Å; A776-S818 PolarHBondContact N-O 2.92Å; C809-S818 VanDerWaalsContact CB-OG 3.24Å; C809-S818 WeakPolarHBondContact CB-OG 3.48Å; C809-S818 PolarHBondContact O-OG 3.16Å; Y810-S818 WeakPolarHBondContact CE2-OG 3.23Å
819	I	96	Very high	96.1	Very high	15 Å²	15	12.6 Å²	12.6	8%	0.077	7%	0.071	C	C	.	.			trans	-98	169.4	-176.5	56.4	156.1	0	0	0	111.9	S774 C809 N812 V815 Y817 V821 H826	S774-I819 CarbonylContact C-O 3.56Å; S774-I819 VanDerWaalsContact CB-O 3.27Å; S774-I819 WeakPolarHBondContact CB-O 3.49Å; S774-I819 PolarHBondContact OG-O 3.02Å; C809-I819 WeakPolarHBondContact CB-O 3.01Å; C809-I819 VanDerWaalsContact O-CG1 3.24Å; C809-I819 WeakPolarHBondContact O-CG1 3.22Å; C809-I819 PolarHBondContact O-N 3.36Å; C809-I819 VanDerWaalsContact O-N 3.14Å; C809-I819 PolarHBondContact SG-O 2.98Å; N812-I819 HydrophobicContact CB-CD1 3.63Å; N812-I819 HydrophobicContact CB-CG1 4.03Å; N812-I819 HydrophobicContact CB-CG2 4.24Å; V815-I819 HydrophobicContact CG2-CG2 4.12Å; Y817-I819 HydrophobicContact CE2-CG2 4.22Å; I819-V821 VanDerWaalsContact C-N 3.28Å; I819-V821 HydrophobicContact CD1-CG2 4.39Å; I819-V821 WeakPolarHBondContact CD1-O 3.35Å; I819-V821 VanDerWaalsContact CG1-O 3.31Å; I819-V821 WeakPolarHBondContact CG1-O 3.3Å; I819-V821 PolarHBondContact O-N 2.97Å; I819-H826 HydrophobicContact CD1-CB 3.54Å
820	S	94.8	Very high	96.1	Very high	40 Å²	40	14.1 Å²	14.1	28%	0.28	8%	0.078	S	C	.	.	S	Bend	trans	-67.8	-20.6	-174	51.4	0	0	0	0	115.5	S774 T785	S774-S820 VanDerWaalsContact OG-C 3.3Å; S774-S820 WeakPolarHBondContact OG-CA 3.36Å; S774-S820 PolarHBondContact OG-O 3.1Å; S774-S820 VanDerWaalsContact OG-O 3.12Å; T785-S820 WeakPolarHBondContact CB-O 3.5Å; T785-S820 PolarHBondContact OG1-O 2.67Å
821	V	98.1	Very high	96	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.078	C	C	.	.	S	Bend	trans	-136.7	157.9	-172.3	-66.1	0	0	0	0	109.9	V726 T728 T785 C809 I819 V825 H826	V726-V821 HydrophobicContact CG1-CG1 4.08Å; T728-V821 HydrophobicContact CG2-CG1 3.58Å; T785-V821 HydrophobicContact CG2-CG1 4.12Å; C809-V821 PolarHBondContact SG-O 3.4Å; C809-V821 VanDerWaalsContact SG-O 3.35Å; I819-V821 VanDerWaalsContact C-N 3.28Å; I819-V821 HydrophobicContact CD1-CG2 4.39Å; I819-V821 WeakPolarHBondContact CD1-O 3.35Å; I819-V821 VanDerWaalsContact CG1-O 3.31Å; I819-V821 WeakPolarHBondContact CG1-O 3.3Å; I819-V821 PolarHBondContact O-N 2.97Å; V821-V825 HydrophobicContact CB-CB 4.05Å; V821-V825 HydrophobicContact CB-CG1 3.71Å; V821-V825 HydrophobicContact CG1-CG1 4.1Å; V821-V825 HydrophobicContact CG2-CB 4.16Å; V821-V825 HydrophobicContact CG2-CG1 3.83Å; V821-H826 HydrophobicContact CG2-CB 3.95Å
822	P	98.5	Very high	95.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.			trans	-55.4	146.3	175.1	-27.1	38.3	0	0	0	111.2	F686 Y787 L808 P824 V825 H826	F686-P822 HydrophobicContact CD1-CG 4.37Å; F686-P822 HydrophobicContact CD2-CB 4.43Å; F686-P822 HydrophobicContact CE1-CG 4.03Å; F686-P822 HydrophobicContact CE2-CB 4.15Å; F686-P822 HydrophobicContact CE2-CG 4.2Å; F686-P822 HydrophobicContact CZ-CB 4.35Å; F686-P822 HydrophobicContact CZ-CG 3.93Å; Y787-P822 HydrophobicContact CE1-CG 4Å; Y787-P822 WeakPolarHBondContact OH-CD 3.48Å; L808-P822 HydrophobicContact CB-CB 3.73Å; L808-P822 HydrophobicContact CD1-CB 4.22Å; P822-P824 VanDerWaalsContact C-N 3.34Å; P822-V825 HydrophobicContact CB-CG2 4.34Å; P822-V825 HydrophobicContact CG-CG2 4.4Å; P822-V825 WeakPolarHBondContact O-CA 3.26Å; P822-V825 WeakPolarHBondContact O-CB 3.34Å; P822-V825 PolarHBondContact O-N 2.9Å; P822-H826 PolarHBondContact O-N 3.11Å
823	A	98.2	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-49.3	-44.1	178.9	0	0	0	0	0	114.5	Y644 L808 L811 V825 H826 F827	Y644-A823 HydrophobicContact CE2-CB 4.24Å; L808-A823 WeakPolarHBondContact O-CB 3.21Å; L808-A823 PolarHBondContact O-N 3.42Å; L811-A823 HydrophobicContact CB-CB 3.89Å; A823-V825 VanDerWaalsContact C-N 3.29Å; A823-V825 PolarHBondContact O-N 3.06Å; A823-H826 PolarHBondContact O-N 2.98Å; A823-F827 HydrophobicContact CB-CD2 4.32Å; A823-F827 HydrophobicContact CB-CE2 3.87Å; A823-F827 WeakPolarHBondContact O-CD2 3.42Å; A823-F827 VanDerWaalsContact O-CG 3.31Å; A823-F827 WeakPolarHBondContact O-CG 3.33Å; A823-F827 PolarHBondContact O-N 3.01Å
824	P	98.4	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-42	175.6	-11.9	17.4	0	0	0	112.6	V612 A614 Y644 P822 F827 A828	V612-P824 HydrophobicContact CB-CG 4.32Å; V612-P824 HydrophobicContact CG1-CB 4.5Å; V612-P824 HydrophobicContact CG1-CG 3.62Å; A614-P824 HydrophobicContact CB-CB 3.82Å; A614-P824 VanDerWaalsContact CB-O 3.3Å; A614-P824 WeakPolarHBondContact CB-O 3.46Å; Y644-P824 HydrophobicContact CD1-CB 4.36Å; Y644-P824 HydrophobicContact CE1-CB 3.73Å; Y644-P824 HydrophobicContact CE1-CG 3.59Å; Y644-P824 WeakPolarHBondContact OH-CD 3.18Å; Y644-P824 WeakPolarHBondContact OH-CG 3.36Å; P822-P824 VanDerWaalsContact C-N 3.34Å; P824-F827 PolarHBondContact O-N 3.18Å; P824-A828 PolarHBondContact O-N 2.82Å
825	V	98.7	Very high	96.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-45.2	178.6	171.9	0	0	0	0	111.1	A614 F686 V688 V726 V821 P822 A823 F827 A828 Q829	A614-V825 HydrophobicContact CB-CB 4.39Å; A614-V825 HydrophobicContact CB-CG2 3.93Å; F686-V825 HydrophobicContact CB-CG2 3.35Å; F686-V825 HydrophobicContact CD1-CG2 4.49Å; F686-V825 HydrophobicContact CD2-CG2 4.31Å; F686-V825 HydrophobicContact CG-CG2 3.82Å; V688-V825 HydrophobicContact CG2-CB 4.39Å; V688-V825 HydrophobicContact CG2-CG1 3.6Å; V688-V825 HydrophobicContact CG2-CG2 4.35Å; V726-V825 HydrophobicContact CG2-CG2 4.2Å; V821-V825 HydrophobicContact CB-CB 4.05Å; V821-V825 HydrophobicContact CB-CG1 3.71Å; V821-V825 HydrophobicContact CG1-CG1 4.1Å; V821-V825 HydrophobicContact CG2-CB 4.16Å; V821-V825 HydrophobicContact CG2-CG1 3.83Å; P822-V825 HydrophobicContact CB-CG2 4.34Å; P822-V825 HydrophobicContact CG-CG2 4.4Å; P822-V825 WeakPolarHBondContact O-CA 3.26Å; P822-V825 WeakPolarHBondContact O-CB 3.34Å; P822-V825 PolarHBondContact O-N 2.9Å; A823-V825 VanDerWaalsContact C-N 3.29Å; A823-V825 PolarHBondContact O-N 3.06Å; V825-F827 VanDerWaalsContact C-N 3.3Å; V825-F827 PolarHBondContact O-N 3.04Å; V825-A828 PolarHBondContact O-N 2.8Å; V825-Q829 WeakPolarHBondContact O-CG 3.21Å; V825-Q829 PolarHBondContact O-N 3.39Å
826	H	98	Very high	95.9	Very high	45 Å²	45	19.8 Å²	19.8	21%	0.208	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-43.4	176.1	-179.6	55.6	0	0	0	111.7	I819 V821 P822 A823 Q829 L830	I819-H826 HydrophobicContact CD1-CB 3.54Å; V821-H826 HydrophobicContact CG2-CB 3.95Å; P822-H826 PolarHBondContact O-N 3.11Å; A823-H826 PolarHBondContact O-N 2.98Å; H826-Q829 WeakPolarHBondContact O-CB 3.34Å; H826-Q829 PolarHBondContact O-N 3.49Å; H826-L830 WeakPolarHBondContact O-CG 3.17Å; H826-L830 PolarHBondContact O-N 2.93Å
827	F	98.4	Very high	95.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-35.6	179	-66.9	-40.5	0	0	0	113	V634 Y644 N812 A823 P824 V825 Q829 L830 A831 M877 F879 V880	V634-F827 HydrophobicContact CG1-CB 3.94Å; V634-F827 HydrophobicContact CG2-CB 4.48Å; Y644-F827 HydrophobicContact CD1-CD2 4.2Å; Y644-F827 AromaticContact CD2-CD2 3.32Å; Y644-F827 HydrophobicContact CD2-CD2 3.32Å; Y644-F827 AromaticContact CD2-CE2 3.22Å; Y644-F827 HydrophobicContact CD2-CE2 3.22Å; Y644-F827 HydrophobicContact CD2-CZ 4.39Å; Y644-F827 AromaticContact CE2-CD2 3.78Å; Y644-F827 HydrophobicContact CE2-CD2 3.78Å; Y644-F827 AromaticContact CE2-CE2 3.5Å; Y644-F827 HydrophobicContact CE2-CE2 3.5Å; Y644-F827 VanDerWaalsContact CE2-CE2 3.5Å; Y644-F827 AromaticContact CG-CD2 3.54Å; Y644-F827 HydrophobicContact CG-CD2 3.54Å; Y644-F827 AromaticContact CG-CE2 3.96Å; Y644-F827 HydrophobicContact CG-CE2 3.96Å; N812-F827 WeakPolarHBondContact O-CZ 3.3Å; A823-F827 HydrophobicContact CB-CD2 4.32Å; A823-F827 HydrophobicContact CB-CE2 3.87Å; A823-F827 WeakPolarHBondContact O-CD2 3.42Å; A823-F827 VanDerWaalsContact O-CG 3.31Å; A823-F827 WeakPolarHBondContact O-CG 3.33Å; A823-F827 PolarHBondContact O-N 3.01Å; P824-F827 PolarHBondContact O-N 3.18Å; V825-F827 VanDerWaalsContact C-N 3.3Å; V825-F827 PolarHBondContact O-N 3.04Å; F827-Q829 VanDerWaalsContact C-N 3.34Å; F827-L830 HydrophobicContact CD1-CD1 4.3Å; F827-L830 PolarHBondContact O-N 3.23Å; F827-A831 WeakPolarHBondContact O-CB 3.25Å; F827-A831 PolarHBondContact O-N 3.22Å; F827-M877 HydrophobicContact CD1-CE 4.15Å; F827-M877 HydrophobicContact CD2-CE 4.09Å; F827-M877 HydrophobicContact CE1-CE 3.68Å; F827-M877 HydrophobicContact CE2-CE 3.6Å; F827-M877 HydrophobicContact CG-CE 4.36Å; F827-M877 HydrophobicContact CZ-CE 3.38Å; F827-F879 HydrophobicContact CB-CD2 4.35Å; F827-F879 HydrophobicContact CB-CE2 3.61Å; F827-F879 HydrophobicContact CB-CZ 4.3Å; F827-F879 HydrophobicContact CD1-CD2 4.38Å; F827-F879 AromaticContact CD1-CE2 3.79Å; F827-F879 HydrophobicContact CD1-CE2 3.79Å; F827-F879 AromaticContact CG-CE2 3.83Å; F827-F879 HydrophobicContact CG-CE2 3.83Å; F827-V880 HydrophobicContact CD1-CG2 3.95Å; F827-V880 HydrophobicContact CE1-CG2 3.79Å
828	A	98.1	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-44.4	172	0	0	0	0	0	111.3	A614 D616 V632 V634 P824 V825 L830 A831 C832	A614-A828 HydrophobicContact CB-CB 3.9Å; D616-A828 HydrophobicContact CB-CB 3.91Å; V632-A828 HydrophobicContact CG1-CB 4.43Å; V634-A828 HydrophobicContact CB-CB 4.26Å; V634-A828 HydrophobicContact CG2-CB 4.06Å; P824-A828 PolarHBondContact O-N 2.82Å; V825-A828 PolarHBondContact O-N 2.8Å; A828-L830 PolarHBondContact O-N 3.1Å; A828-A831 PolarHBondContact O-N 3.15Å; A828-C832 PolarHBondContact O-N 3.47Å
829	Q	96.4	Very high	94.9	Very high	38 Å²	38	19.1 Å²	19.1	18%	0.178	10%	0.096	C	C	.	.	H	α-helix	trans	-62	-42.4	175.3	-69.2	172.1	-19.8	0	0	112.4	D616 V688 V825 H826 F827 C832 Q833	D616-Q829 WeakPolarHBondContact OD2-CA 3.22Å; D616-Q829 WeakPolarHBondContact OD2-CG 3.23Å; V688-Q829 HydrophobicContact CG1-CG 4.38Å; V825-Q829 WeakPolarHBondContact O-CG 3.21Å; V825-Q829 PolarHBondContact O-N 3.39Å; H826-Q829 WeakPolarHBondContact O-CB 3.34Å; H826-Q829 PolarHBondContact O-N 3.49Å; F827-Q829 VanDerWaalsContact C-N 3.34Å; Q829-C832 PolarHBondContact O-N 3.33Å; Q829-Q833 WeakPolarHBondContact O-CB 3.48Å; Q829-Q833 VanDerWaalsContact O-CG 3.28Å; Q829-Q833 WeakPolarHBondContact O-CG 3.46Å; Q829-Q833 PolarHBondContact O-N 3.31Å
830	L	96.4	Very high	94.1	Very high	31 Å²	31	22.9 Å²	22.9	16%	0.162	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-39.2	176.1	-71.2	-175.6	0	0	0	112.3	H826 F827 A828 Q833 R834 F879	H826-L830 WeakPolarHBondContact O-CG 3.17Å; H826-L830 PolarHBondContact O-N 2.93Å; F827-L830 HydrophobicContact CD1-CD1 4.3Å; F827-L830 PolarHBondContact O-N 3.23Å; A828-L830 PolarHBondContact O-N 3.1Å; L830-Q833 PolarHBondContact O-N 2.9Å; L830-R834 WeakPolarHBondContact O-CB 3.13Å; L830-R834 PolarHBondContact O-N 3.03Å; L830-F879 HydrophobicContact CB-CD2 4.33Å
831	A	96.8	Very high	93.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-41.5	175.7	0	0	0	0	0	111.8	V632 V634 A646 F827 A828 Q833 R834 A835 F879	V632-A831 HydrophobicContact CG1-CB 3.67Å; V632-A831 HydrophobicContact CG2-CB 4.4Å; V634-A831 HydrophobicContact CG2-CB 4.48Å; A646-A831 HydrophobicContact CB-CB 4.01Å; F827-A831 WeakPolarHBondContact O-CB 3.25Å; F827-A831 PolarHBondContact O-N 3.22Å; A828-A831 PolarHBondContact O-N 3.15Å; A831-Q833 PolarHBondContact O-N 2.94Å; A831-R834 PolarHBondContact O-N 3.49Å; A831-A835 WeakPolarHBondContact O-CB 3.29Å; A831-A835 PolarHBondContact O-N 3.07Å; A831-F879 HydrophobicContact CB-CB 4Å; A831-F879 HydrophobicContact CB-CD1 4.24Å; A831-F879 HydrophobicContact CB-CG 4.01Å
832	C	94.2	Very high	92.8	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-49	170.8	-80.5	0	0	0	0	111.6	V618 V632 A828 Q829 R834 A835 Q836	V618-C832 HydrophobicContact CG1-CB 4.15Å; V632-C832 HydrophobicContact CG2-CB 4.39Å; V632-C832 WeakPolarHBondContact CG2-SG 3.14Å; A828-C832 PolarHBondContact O-N 3.47Å; Q829-C832 PolarHBondContact O-N 3.33Å; C832-R834 VanDerWaalsContact C-N 3.33Å; C832-R834 PolarHBondContact O-N 2.91Å; C832-A835 PolarHBondContact O-N 2.8Å; C832-Q836 WeakPolarHBondContact O-CG 3.3Å; C832-Q836 PolarHBondContact O-N 2.85Å
833	Q	92.4	Very high	91.7	Very high	101 Å²	101	25 Å²	25	47%	0.472	12%	0.12	S	C	.	.	H	α-helix	trans	-62.1	-40.2	178	-72.5	173.9	12.9	0	0	112.1	Q829 L830 A831 Q836 Q837	Q829-Q833 WeakPolarHBondContact O-CB 3.48Å; Q829-Q833 VanDerWaalsContact O-CG 3.28Å; Q829-Q833 WeakPolarHBondContact O-CG 3.46Å; Q829-Q833 PolarHBondContact O-N 3.31Å; L830-Q833 PolarHBondContact O-N 2.9Å; A831-Q833 PolarHBondContact O-N 2.94Å; Q833-Q836 PolarHBondContact O-N 3.46Å; Q833-Q837 VanDerWaalsContact O-CG 3.24Å; Q833-Q837 WeakPolarHBondContact O-CG 3.32Å; Q833-Q837 PolarHBondContact O-N 3.27Å
834	R	94.3	Very high	90.5	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-45.9	176.8	-177.9	59.9	63.8	87.2	18.9	111.3	K546 D550 L830 A831 C832 Q836 Q837 H838 Y878 F879	K546-R834 VanDerWaalsContact CD-NH1 3.34Å; D550-R834 IonicContact OD1-NH1 2.8Å; D550-R834 WeakPolarHBondContact OD2-CD 3.49Å; D550-R834 IonicContact OD2-CZ 4Å; D550-R834 IonicContact OD2-NE 3.62Å; D550-R834 IonicContact OD2-NH1 2.78Å; D550-R834 PolarHBondContact OD2-NH1 3.38Å; L830-R834 WeakPolarHBondContact O-CB 3.13Å; L830-R834 PolarHBondContact O-N 3.03Å; A831-R834 PolarHBondContact O-N 3.49Å; C832-R834 VanDerWaalsContact C-N 3.33Å; C832-R834 PolarHBondContact O-N 2.91Å; R834-Q836 PolarHBondContact O-N 2.82Å; R834-Q837 WeakPolarHBondContact O-CB 3.34Å; R834-Q837 PolarHBondContact O-N 3.35Å; R834-Q837 VanDerWaalsContact O-N 3.14Å; R834-H838 WeakPolarHBondContact CD-NE2 3.37Å; R834-H838 PolarHBondContact O-N 2.79Å; R834-Y878 HydrophobicContact CG-CD2 4.27Å; R834-Y878 HydrophobicContact CG-CE2 3.8Å; R834-Y878 VanDerWaalsContact CZ-O 3.25Å; R834-Y878 PolarHBondContact NH1-O 3.19Å; R834-Y878 PolarHBondContact NH2-O 3.43Å; R834-F879 HydrophobicContact CB-CB 4.38Å; R834-F879 PolarHBondContact NH2-O 3.37Å; R834-F879 VanDerWaalsContact NH2-O 3.11Å
835	A	92.8	Very high	89.2	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.4	0	0	0	0	0	111.9	I630 V648 A831 C832 Q837 H838 L839 I867	I630-A835 HydrophobicContact CD1-CB 4.04Å; I630-A835 HydrophobicContact CG2-CB 3.79Å; V648-A835 HydrophobicContact CG1-CB 3.67Å; A831-A835 WeakPolarHBondContact O-CB 3.29Å; A831-A835 PolarHBondContact O-N 3.07Å; C832-A835 PolarHBondContact O-N 2.8Å; A835-Q837 VanDerWaalsContact C-N 3.3Å; A835-Q837 PolarHBondContact O-N 3.1Å; A835-H838 PolarHBondContact O-N 3.3Å; A835-L839 VanDerWaalsContact O-CB 3.3Å; A835-L839 WeakPolarHBondContact O-CB 3.34Å; A835-L839 PolarHBondContact O-N 2.92Å; A835-I867 HydrophobicContact CB-CB 4.38Å; A835-I867 HydrophobicContact CB-CG2 4.27Å; A835-I867 WeakPolarHBondContact O-CG2 3.42Å
836	Q	88.8	Confident	87.6	Confident	67 Å²	67	38 Å²	38	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-39	172.7	-76.2	-173	-38.7	0	0	112.7	V618 I630 C832 Q833 R834 Q840	V618-Q836 HydrophobicContact CG1-CG 3.64Å; I630-Q836 HydrophobicContact CD1-CB 4.45Å; I630-Q836 HydrophobicContact CD1-CG 3.78Å; C832-Q836 WeakPolarHBondContact O-CG 3.3Å; C832-Q836 PolarHBondContact O-N 2.85Å; Q833-Q836 PolarHBondContact O-N 3.46Å; R834-Q836 PolarHBondContact O-N 2.82Å; Q836-Q840 VanDerWaalsContact O-CB 3.26Å; Q836-Q840 WeakPolarHBondContact O-CB 3.27Å; Q836-Q840 PolarHBondContact O-N 3.47Å
837	Q	88	Confident	85.3	Confident	50 Å²	50	43.3 Å²	43.3	23%	0.234	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-41.8	178.3	-71.9	166.8	-23	0	0	112.1	Q833 R834 A835 L839 H841	Q833-Q837 VanDerWaalsContact O-CG 3.24Å; Q833-Q837 WeakPolarHBondContact O-CG 3.32Å; Q833-Q837 PolarHBondContact O-N 3.27Å; R834-Q837 WeakPolarHBondContact O-CB 3.34Å; R834-Q837 PolarHBondContact O-N 3.35Å; R834-Q837 VanDerWaalsContact O-N 3.14Å; A835-Q837 VanDerWaalsContact C-N 3.3Å; A835-Q837 PolarHBondContact O-N 3.1Å; Q837-L839 VanDerWaalsContact C-N 3.34Å; Q837-H841 WeakPolarHBondContact O-CB 3.45Å; Q837-H841 PolarHBondContact O-N 2.67Å
838	H	91.1	Very high	83	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-49.2	173.2	-67.6	165.6	0	0	0	110.6	K546 Y547 D550 R834 A835 H841 A842 A866 I867	K546-H838 PolarHBondContact O-NE2 3.49Å; Y547-H838 HydrophobicContact CD2-CB 4.03Å; Y547-H838 WeakPolarHBondContact CD2-O 3.49Å; D550-H838 IonicContact OD2-CE1 2.7Å; D550-H838 PolarHBondContact OD2-CE1 3.2Å; D550-H838 IonicContact OD2-NE2 3.31Å; D550-H838 PolarHBondContact OD2-NE2 3.25Å; R834-H838 WeakPolarHBondContact CD-NE2 3.37Å; R834-H838 PolarHBondContact O-N 2.79Å; A835-H838 PolarHBondContact O-N 3.3Å; H838-H841 PolarHBondContact O-N 2.89Å; H838-A842 PolarHBondContact O-N 2.88Å; H838-A866 WeakPolarHBondContact CB-O 3.36Å; H838-I867 HydrophobicContact CB-CG2 4.45Å
839	L	84.6	Confident	80.4	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-47.1	-179.6	179.8	55.3	0	0	0	112.3	V620 I630 A835 Q837 H841 A842 L843 L863 A866 I867	V620-L839 HydrophobicContact CB-CD2 4.12Å; V620-L839 HydrophobicContact CG1-CD2 3.56Å; V620-L839 HydrophobicContact CG1-CG 4.35Å; V620-L839 HydrophobicContact CG2-CD2 3.59Å; I630-L839 HydrophobicContact CD1-CD2 4.07Å; A835-L839 VanDerWaalsContact O-CB 3.3Å; A835-L839 WeakPolarHBondContact O-CB 3.34Å; A835-L839 PolarHBondContact O-N 2.92Å; Q837-L839 VanDerWaalsContact C-N 3.34Å; L839-H841 VanDerWaalsContact C-N 3.26Å; L839-H841 PolarHBondContact O-N 3.21Å; L839-A842 PolarHBondContact O-N 2.92Å; L839-A842 VanDerWaalsContact O-N 3.15Å; L839-L843 HydrophobicContact CD1-CD1 3.99Å; L839-L843 HydrophobicContact CD1-CD2 4.04Å; L839-L843 HydrophobicContact CD1-CG 3.76Å; L839-L843 HydrophobicContact CG-CD1 3.98Å; L839-L843 HydrophobicContact CG-CG 4.2Å; L839-L843 VanDerWaalsContact O-CG 3.27Å; L839-L843 WeakPolarHBondContact O-CG 3.41Å; L839-L843 PolarHBondContact O-N 3.04Å; L839-L863 HydrophobicContact CD1-CD2 3.25Å; L839-L863 HydrophobicContact CD1-CG 4.5Å; L839-L863 HydrophobicContact CD2-CD2 4.05Å; L839-L863 HydrophobicContact CG-CD2 4.25Å; L839-A866 HydrophobicContact CD1-CB 4.14Å; L839-I867 HydrophobicContact CB-CG2 3.92Å
840	Q	79.1	Confident	77.9	Confident	93 Å²	93	55.4 Å²	55.4	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-55.9	-44	176.2	-179.1	-179.9	-6.1	0	0	111.2	Q836 E844	Q836-Q840 VanDerWaalsContact O-CB 3.26Å; Q836-Q840 WeakPolarHBondContact O-CB 3.27Å; Q836-Q840 PolarHBondContact O-N 3.47Å; Q840-E844 WeakPolarHBondContact CG-OE1 3.25Å; Q840-E844 PolarHBondContact NE2-OE1 3Å; Q840-E844 WeakPolarHBondContact O-CB 3.45Å; Q840-E844 VanDerWaalsContact O-CG 3.28Å; Q840-E844 WeakPolarHBondContact O-CG 3.3Å; Q840-E844 PolarHBondContact O-N 2.77Å
841	H	83.4	Confident	75.4	Confident	16 Å²	16	55 Å²	55	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-41	178.1	-174.9	77.1	0	0	0	112.4	A543 A544 Y547 Q837 H838 L839 E844 N845	A543-H841 HydrophobicContact CB-CB 4.33Å; A544-H841 VanDerWaalsContact CA-CE1 3.48Å; A544-H841 WeakPolarHBondContact CA-CE1 3.27Å; A544-H841 WeakPolarHBondContact CB-CE1 3.41Å; Y547-H841 AromaticContact CD1-CD2 3.22Å; Y547-H841 WeakPolarHBondContact CD1-CD2 3.37Å; Y547-H841 AromaticContact CD1-NE2 3.8Å; Y547-H841 AromaticContact CE1-CD2 3.92Å; Y547-H841 HydrophobicContact CG-CB 4.36Å; Y547-H841 AromaticContact CG-CD2 3.44Å; Y547-H841 VanDerWaalsContact CG-CD2 3.44Å; Q837-H841 WeakPolarHBondContact O-CB 3.45Å; Q837-H841 PolarHBondContact O-N 2.67Å; H838-H841 PolarHBondContact O-N 2.89Å; L839-H841 VanDerWaalsContact C-N 3.26Å; L839-H841 PolarHBondContact O-N 3.21Å; H841-E844 PolarHBondContact O-N 2.7Å; H841-N845 PolarHBondContact CE1-ND2 3.09Å; H841-N845 VanDerWaalsContact CE1-ND2 3.25Å; H841-N845 PolarHBondContact NE2-ND2 3.06Å; H841-N845 PolarHBondContact O-N 3.13Å; H841-N845 PolarHBondContact O-ND2 3.26Å
842	A	82	Confident	73	Confident	3 Å²	3	64.1 Å²	64.1	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-48.7	176.4	0	0	0	0	0	111.6	Y547 H838 L839 E844 N845 E846 A866	Y547-A842 HydrophobicContact CE2-CB 3.98Å; H838-A842 PolarHBondContact O-N 2.88Å; L839-A842 PolarHBondContact O-N 2.92Å; L839-A842 VanDerWaalsContact O-N 3.15Å; A842-E844 VanDerWaalsContact C-N 3.28Å; A842-E844 PolarHBondContact O-N 3.04Å; A842-N845 PolarHBondContact O-N 3.14Å; A842-N845 VanDerWaalsContact O-N 3.07Å; A842-E846 PolarHBondContact O-N 2.98Å; A842-A866 HydrophobicContact CB-CB 3.44Å; A842-A866 VanDerWaalsContact CB-CB 3.44Å
843	L	75.2	Confident	70.5	Confident	66 Å²	66	67.2 Å²	67.2	35%	0.346	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-31.6	178.5	-62.4	177.9	0	0	0	113	L839 N845 L848 L863	L839-L843 HydrophobicContact CD1-CD1 3.99Å; L839-L843 HydrophobicContact CD1-CD2 4.04Å; L839-L843 HydrophobicContact CD1-CG 3.76Å; L839-L843 HydrophobicContact CG-CD1 3.98Å; L839-L843 HydrophobicContact CG-CG 4.2Å; L839-L843 VanDerWaalsContact O-CG 3.27Å; L839-L843 WeakPolarHBondContact O-CG 3.41Å; L839-L843 PolarHBondContact O-N 3.04Å; L843-N845 VanDerWaalsContact C-N 3.33Å; L843-L848 HydrophobicContact CB-CD1 4.5Å; L843-L848 HydrophobicContact CD2-CD1 3.11Å; L843-L848 HydrophobicContact CG-CD1 4.35Å; L843-L863 HydrophobicContact CD2-CD2 4.2Å
844	E	73.6	Confident	68.2	Low	95 Å²	95	70.8 Å²	70.8	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-73.6	-21.6	176	-77.9	175.9	-170.9	0	0	113.1	H540 Q840 H841 A842	H540-E844 IonicContact CE1-OE1 2.59Å; H540-E844 IonicContact CE1-OE2 2.83Å; H540-E844 IonicContact ND1-OE2 3.42Å; H540-E844 PolarHBondContact ND1-OE2 2.83Å; Q840-E844 WeakPolarHBondContact CG-OE1 3.25Å; Q840-E844 PolarHBondContact NE2-OE1 3Å; Q840-E844 WeakPolarHBondContact O-CB 3.45Å; Q840-E844 VanDerWaalsContact O-CG 3.28Å; Q840-E844 WeakPolarHBondContact O-CG 3.3Å; Q840-E844 PolarHBondContact O-N 2.77Å; H841-E844 PolarHBondContact O-N 2.7Å; A842-E844 VanDerWaalsContact C-N 3.28Å; A842-E844 PolarHBondContact O-N 3.04Å
845	N	71.7	Confident	66.2	Low	101 Å²	101	76 Å²	76	54%	0.54	41%	0.41	S	S	.	.	H	α-helix	trans	-110.4	-15.3	-176.7	-70.5	-86.7	0	0	0	113.9	H841 A842 L843	H841-N845 PolarHBondContact CE1-ND2 3.09Å; H841-N845 VanDerWaalsContact CE1-ND2 3.25Å; H841-N845 PolarHBondContact NE2-ND2 3.06Å; H841-N845 PolarHBondContact O-N 3.13Å; H841-N845 PolarHBondContact O-ND2 3.26Å; A842-N845 PolarHBondContact O-N 3.14Å; A842-N845 VanDerWaalsContact O-N 3.07Å; L843-N845 VanDerWaalsContact C-N 3.33Å
846	E	63.5	Low	64.5	Low	77 Å²	77	78.2 Å²	78.2	36%	0.36	43%	0.434	S	S	.	.	S	Bend	trans	-89.4	130.4	166.5	-69	-166	173.1	0	0	110.3	A842 L848 I862	A842-E846 PolarHBondContact O-N 2.98Å; E846-L848 HydrophobicContact CB-CD1 4.24Å; E846-L848 HydrophobicContact CB-CG 3.9Å; E846-L848 PolarHBondContact O-N 3.44Å; E846-I862 WeakPolarHBondContact OE2-CG2 3.42Å
847	D	49.6	Very low	63.3	Low	158 Å²	158	78.5 Å²	78.5	85%	0.845	44%	0.443	S	S	*	.			trans	-71.4	65.2	169.7	-75.7	-40	0	0	0	110.3	A849	D847-A849 PolarHBondContact O-N 3.07Å; D847-A849 VanDerWaalsContact O-N 3.13Å
848	L	50.8	Low	62.2	Low	38 Å²	38	83.6 Å²	83.6	20%	0.199	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-71.8	1.2	176	-71.4	167	0	0	0	113.1	L843 E846 D850 S851 I862	L843-L848 HydrophobicContact CB-CD1 4.5Å; L843-L848 HydrophobicContact CD2-CD1 3.11Å; L843-L848 HydrophobicContact CG-CD1 4.35Å; E846-L848 HydrophobicContact CB-CD1 4.24Å; E846-L848 HydrophobicContact CB-CG 3.9Å; E846-L848 PolarHBondContact O-N 3.44Å; L848-D850 PolarHBondContact O-N 3.3Å; L848-S851 WeakPolarHBondContact CA-OG 3.35Å; L848-S851 VanDerWaalsContact CD2-OG 3.23Å; L848-S851 WeakPolarHBondContact CD2-OG 3.25Å; L848-S851 PolarHBondContact O-N 3.45Å; L848-S851 PolarHBondContact O-OG 2.82Å; L848-I862 HydrophobicContact CD2-CD1 3.83Å; L848-I862 HydrophobicContact CD2-CG2 4.41Å
849	A	44.3	Very low	61	Low	92 Å²	92	86.2 Å²	86.2	76%	0.76	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.1	171.5	0	0	0	0	0	112.1	D847	D847-A849 PolarHBondContact O-N 3.07Å; D847-A849 VanDerWaalsContact O-N 3.13Å
850	D	42.5	Very low	60.2	Low	164 Å²	164	87.1 Å²	87.1	88%	0.877	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-87.5	-8.8	-179.3	-110.6	3.6	0	0	0	114.6	L848	L848-D850 PolarHBondContact O-N 3.3Å
851	S	45.7	Very low	60	Low	23 Å²	23	88.4 Å²	88.4	16%	0.161	49%	0.486	C	S	.	.			trans	-100.7	0.3	-174.6	44.9	0	0	0	0	115.1	L848 G853	L848-S851 WeakPolarHBondContact CA-OG 3.35Å; L848-S851 VanDerWaalsContact CD2-OG 3.23Å; L848-S851 WeakPolarHBondContact CD2-OG 3.25Å; L848-S851 PolarHBondContact O-N 3.45Å; L848-S851 PolarHBondContact O-OG 2.82Å; S851-G853 PolarHBondContact O-N 3.38Å
852	Q	44.7	Very low	59.6	Low	190 Å²	190	88.9 Å²	88.9	89%	0.888	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	3	179	-73.3	-142.8	-21.3	0	0	115.6
853	G	42.4	Very low	59.5	Low	69 Å²	69	88.9 Å²	88.9	71%	0.711	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-14.9	-178	0	0	0	0	0	117.7	S851	S851-G853 PolarHBondContact O-N 3.38Å
854	K	44.3	Very low	59.8	Low	177 Å²	177	87.8 Å²	87.8	77%	0.77	48%	0.484	S	S	*	.	S	Bend	trans	-150.4	116.4	-167.4	-63.3	-175.2	-178.7	175.9	0	113.1
855	N	51.7	Low	60.4	Low	112 Å²	112	88.3 Å²	88.3	60%	0.599	49%	0.49	S	S	*	.			trans	79.8	94.3	170.8	-61.9	-2	0	0	0	117.3	S857 R858 I859	N855-S857 PolarHBondContact O-N 2.87Å; N855-R858 HydrophobicContact CB-CB 4.15Å; N855-R858 PolarHBondContact O-N 2.89Å; N855-R858 VanDerWaalsContact O-N 3.1Å; N855-I859 PolarHBondContact O-N 3.09Å
856	G	58.3	Low	61.2	Low	50 Å²	50	83.6 Å²	83.6	52%	0.515	47%	0.465	S	S	.	.	H	α-helix	trans	-54.4	-30.1	166.2	0	0	0	0	0	113.5	L652 R858 I859 S860	L652-G856 VanDerWaalsContact CD1-O 3.23Å; L652-G856 WeakPolarHBondContact CD1-O 3.48Å; G856-R858 PolarHBondContact O-N 3.31Å; G856-I859 PolarHBondContact O-N 3.46Å; G856-S860 PolarHBondContact O-N 2.63Å
857	S	62.5	Low	62.4	Low	73 Å²	73	80.1 Å²	80.1	51%	0.51	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.1	64.2	0	0	0	0	113.1	N855 I859 S860 E861	N855-S857 PolarHBondContact O-N 2.87Å; S857-I859 VanDerWaalsContact C-N 3.35Å; S857-S860 WeakPolarHBondContact O-CB 3.34Å; S857-S860 PolarHBondContact O-N 2.55Å; S857-E861 WeakPolarHBondContact O-CG 3.44Å; S857-E861 PolarHBondContact O-N 3.09Å
858	R	65.3	Low	64.4	Low	156 Å²	156	75.4 Å²	75.4	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-68.1	-38	179.1	-174.1	176.9	179.9	-177.1	-0.7	111.2	N855 G856 S860 I862	N855-R858 HydrophobicContact CB-CB 4.15Å; N855-R858 PolarHBondContact O-N 2.89Å; N855-R858 VanDerWaalsContact O-N 3.1Å; G856-R858 PolarHBondContact O-N 3.31Å; R858-S860 VanDerWaalsContact C-N 3.34Å; R858-I862 HydrophobicContact CG-CD1 4.06Å; R858-I862 WeakPolarHBondContact O-CB 3.44Å; R858-I862 WeakPolarHBondContact O-CD1 3.1Å; R858-I862 VanDerWaalsContact O-CG1 3.22Å; R858-I862 WeakPolarHBondContact O-CG1 3.24Å; R858-I862 PolarHBondContact O-N 3.15Å
859	I	66.3	Low	66.5	Low	57 Å²	57	74.5 Å²	74.5	29%	0.292	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-46.2	173.8	-60.1	176.5	0	0	0	108.7	L652 N855 G856 S857 E861 I862 L863	L652-I859 HydrophobicContact CD1-CB 4.01Å; L652-I859 HydrophobicContact CD1-CG2 3.96Å; L652-I859 HydrophobicContact CD2-CG2 4.29Å; N855-I859 PolarHBondContact O-N 3.09Å; G856-I859 PolarHBondContact O-N 3.46Å; S857-I859 VanDerWaalsContact C-N 3.35Å; I859-E861 PolarHBondContact O-N 3.15Å; I859-I862 PolarHBondContact O-N 3.3Å; I859-L863 HydrophobicContact CG2-CD1 3.84Å; I859-L863 HydrophobicContact CG2-CG 4.13Å; I859-L863 WeakPolarHBondContact O-CG 3.49Å; I859-L863 PolarHBondContact O-N 3.41Å
860	S	68.6	Low	69	Low	19 Å²	19	72.2 Å²	72.2	13%	0.133	40%	0.398	C	S	.	.	H	α-helix	trans	-55.8	-51.9	177.3	-146.1	0	0	0	0	111.6	G856 S857 R858 I862 L863 T864	G856-S860 PolarHBondContact O-N 2.63Å; S857-S860 WeakPolarHBondContact O-CB 3.34Å; S857-S860 PolarHBondContact O-N 2.55Å; R858-S860 VanDerWaalsContact C-N 3.34Å; S860-I862 VanDerWaalsContact C-N 3.32Å; S860-I862 PolarHBondContact O-N 2.88Å; S860-L863 WeakPolarHBondContact O-CB 3.49Å; S860-L863 PolarHBondContact O-N 3.22Å; S860-L863 VanDerWaalsContact O-N 3.1Å; S860-T864 PolarHBondContact O-N 3.04Å; S860-T864 PolarHBondContact O-OG1 3.32Å
861	E	73.8	Confident	71.5	Confident	121 Å²	121	72 Å²	72	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-57.6	-42.7	178.9	-75	173.7	-173.8	0	0	112.8	S857 I859 N865	S857-E861 WeakPolarHBondContact O-CG 3.44Å; S857-E861 PolarHBondContact O-N 3.09Å; I859-E861 PolarHBondContact O-N 3.15Å; E861-N865 VanDerWaalsContact O-CB 3.26Å; E861-N865 WeakPolarHBondContact O-CB 3.26Å; E861-N865 PolarHBondContact O-N 3.26Å; E861-N865 PolarHBondContact O-ND2 3.05Å; E861-N865 VanDerWaalsContact O-ND2 3.11Å
862	I	74.7	Confident	73.8	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.128	41%	0.414	C	S	.	.	H	α-helix	trans	-62.7	-46.6	176.4	-73	169.4	0	0	0	110.6	E846 L848 R858 I859 S860 N865 A866	E846-I862 WeakPolarHBondContact OE2-CG2 3.42Å; L848-I862 HydrophobicContact CD2-CD1 3.83Å; L848-I862 HydrophobicContact CD2-CG2 4.41Å; R858-I862 HydrophobicContact CG-CD1 4.06Å; R858-I862 WeakPolarHBondContact O-CB 3.44Å; R858-I862 WeakPolarHBondContact O-CD1 3.1Å; R858-I862 VanDerWaalsContact O-CG1 3.22Å; R858-I862 WeakPolarHBondContact O-CG1 3.24Å; R858-I862 PolarHBondContact O-N 3.15Å; I859-I862 PolarHBondContact O-N 3.3Å; S860-I862 VanDerWaalsContact C-N 3.32Å; S860-I862 PolarHBondContact O-N 2.88Å; I862-N865 PolarHBondContact O-N 2.99Å; I862-A866 VanDerWaalsContact O-CB 3.28Å; I862-A866 WeakPolarHBondContact O-CB 3.36Å; I862-A866 PolarHBondContact O-N 3.06Å
863	L	79.6	Confident	76.2	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-46	179.6	-65.4	175	0	0	0	111.4	P628 A650 L652 L839 L843 I859 S860 A866 I867	P628-L863 HydrophobicContact CB-CD1 3.62Å; P628-L863 HydrophobicContact CG-CD1 3.78Å; P628-L863 HydrophobicContact CG-CD2 4.44Å; A650-L863 HydrophobicContact CB-CB 3.96Å; L652-L863 HydrophobicContact CD1-CD1 4.32Å; L652-L863 HydrophobicContact CD2-CD1 3.69Å; L652-L863 HydrophobicContact CG-CD1 4Å; L839-L863 HydrophobicContact CD1-CD2 3.25Å; L839-L863 HydrophobicContact CD1-CG 4.5Å; L839-L863 HydrophobicContact CD2-CD2 4.05Å; L839-L863 HydrophobicContact CG-CD2 4.25Å; L843-L863 HydrophobicContact CD2-CD2 4.2Å; I859-L863 HydrophobicContact CG2-CD1 3.84Å; I859-L863 HydrophobicContact CG2-CG 4.13Å; I859-L863 WeakPolarHBondContact O-CG 3.49Å; I859-L863 PolarHBondContact O-N 3.41Å; S860-L863 WeakPolarHBondContact O-CB 3.49Å; S860-L863 PolarHBondContact O-N 3.22Å; S860-L863 VanDerWaalsContact O-N 3.1Å; L863-A866 PolarHBondContact O-N 2.97Å; L863-I867 WeakPolarHBondContact O-CG1 3.34Å; L863-I867 PolarHBondContact O-N 3.5Å
864	T	82.9	Confident	78.6	Confident	42 Å²	42	70.5 Å²	70.5	26%	0.258	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-46.1	177.1	-55.3	0	0	0	0	110.7	S860 A866 I867 S868	S860-T864 PolarHBondContact O-N 3.04Å; S860-T864 PolarHBondContact O-OG1 3.32Å; T864-A866 VanDerWaalsContact C-N 3.31Å; T864-A866 PolarHBondContact O-N 2.85Å; T864-I867 PolarHBondContact O-N 3Å; T864-S868 VanDerWaalsContact O-CB 3.3Å; T864-S868 WeakPolarHBondContact O-CB 3.2Å; T864-S868 PolarHBondContact O-N 3.25Å; T864-S868 PolarHBondContact O-OG 3.03Å
865	N	86.2	Confident	81	Confident	107 Å²	107	66.3 Å²	66.3	57%	0.572	34%	0.343	S	S	*	.	H	α-helix	trans	-63	-38.6	177.4	-74	-27	0	0	0	111.9	E861 I862 I867 S868	E861-N865 VanDerWaalsContact O-CB 3.26Å; E861-N865 WeakPolarHBondContact O-CB 3.26Å; E861-N865 PolarHBondContact O-N 3.26Å; E861-N865 PolarHBondContact O-ND2 3.05Å; E861-N865 VanDerWaalsContact O-ND2 3.11Å; I862-N865 PolarHBondContact O-N 2.99Å; N865-I867 PolarHBondContact O-N 3.45Å; N865-S868 PolarHBondContact O-N 2.85Å
866	A	87	Confident	83	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-28.9	-179.2	0	0	0	0	0	113.4	Y547 H838 L839 A842 I862 L863 T864	Y547-A866 WeakPolarHBondContact CE2-O 3.35Å; H838-A866 WeakPolarHBondContact CB-O 3.36Å; L839-A866 HydrophobicContact CD1-CB 4.14Å; A842-A866 HydrophobicContact CB-CB 3.44Å; A842-A866 VanDerWaalsContact CB-CB 3.44Å; I862-A866 VanDerWaalsContact O-CB 3.28Å; I862-A866 WeakPolarHBondContact O-CB 3.36Å; I862-A866 PolarHBondContact O-N 3.06Å; L863-A866 PolarHBondContact O-N 2.97Å; T864-A866 VanDerWaalsContact C-N 3.31Å; T864-A866 PolarHBondContact O-N 2.85Å
867	I	89.3	Confident	84.9	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-108.5	-1.6	-179.4	70.3	-175.1	0	0	0	113.4	V648 A650 A835 H838 L839 L863 T864 N865 V869	V648-I867 HydrophobicContact CG1-CB 4.46Å; V648-I867 HydrophobicContact CG1-CD1 3.97Å; V648-I867 HydrophobicContact CG1-CG1 4.33Å; A650-I867 HydrophobicContact CB-CD1 3.4Å; A650-I867 VanDerWaalsContact CB-CD1 3.4Å; A835-I867 HydrophobicContact CB-CB 4.38Å; A835-I867 HydrophobicContact CB-CG2 4.27Å; A835-I867 WeakPolarHBondContact O-CG2 3.42Å; H838-I867 HydrophobicContact CB-CG2 4.45Å; L839-I867 HydrophobicContact CB-CG2 3.92Å; L863-I867 WeakPolarHBondContact O-CG1 3.34Å; L863-I867 PolarHBondContact O-N 3.5Å; T864-I867 PolarHBondContact O-N 3Å; N865-I867 PolarHBondContact O-N 3.45Å; I867-V869 PolarHBondContact O-N 3.36Å
868	S	91.6	Very high	86.4	Confident	58 Å²	58	57.3 Å²	57.3	41%	0.406	28%	0.278	S	S	.	.			trans	-74	105.4	178.3	-75.1	0	0	0	0	110.4	T864 N865	T864-S868 VanDerWaalsContact O-CB 3.3Å; T864-S868 WeakPolarHBondContact O-CB 3.2Å; T864-S868 PolarHBondContact O-N 3.25Å; T864-S868 PolarHBondContact O-OG 3.03Å; N865-S868 PolarHBondContact O-N 2.85Å
869	V	94.8	Very high	87.9	Confident	19 Å²	19	50 Å²	50	12%	0.115	25%	0.25	C	S	.	.			trans	-74.5	138.5	-179.2	174.9	0	0	0	0	111.2	D550 I867 I873 Y878	D550-V869 HydrophobicContact CB-CG1 4.48Å; I867-V869 PolarHBondContact O-N 3.36Å; V869-I873 HydrophobicContact CG1-CD1 3.89Å; V869-I873 HydrophobicContact CG1-CG1 3.52Å; V869-Y878 HydrophobicContact CB-CE1 4.36Å; V869-Y878 HydrophobicContact CB-CE2 4.47Å; V869-Y878 HydrophobicContact CG1-CD1 4.09Å; V869-Y878 HydrophobicContact CG1-CD2 4.26Å; V869-Y878 HydrophobicContact CG1-CE1 4.11Å; V869-Y878 HydrophobicContact CG1-CE2 4.33Å; V869-Y878 HydrophobicContact CG1-CG 4.18Å; V869-Y878 HydrophobicContact CG2-CD2 4.22Å; V869-Y878 HydrophobicContact CG2-CE1 4.16Å; V869-Y878 HydrophobicContact CG2-CE2 3.55Å
870	H	96.4	Very high	89.1	Confident	45 Å²	45	48.1 Å²	48.1	21%	0.208	24%	0.241	C	C	.	.			trans	-56.8	137.6	-177.8	-170.3	-62.8	0	0	0	111.7	D550 K552 K872 I873 R874	D550-H870 WeakPolarHBondContact O-CB 3.27Å; D550-H870 PolarHBondContact O-N 3.46Å; K552-H870 PolarHBondContact O-CD2 3.28Å; H870-K872 VanDerWaalsContact C-N 3.28Å; H870-K872 PolarHBondContact ND1-N 3.39Å; H870-K872 PolarHBondContact O-N 2.92Å; H870-K872 VanDerWaalsContact O-N 3.1Å; H870-I873 PolarHBondContact O-N 3.48Å; H870-R874 PolarHBondContact O-N 2.91Å
871	E	95.1	Very high	90.2	Very high	159 Å²	159	49.6 Å²	49.6	74%	0.743	25%	0.247	S	C	*	.	H	α-helix	trans	-50.3	-41.1	-173.9	56.7	175.1	-165.1	0	0	114.4	I873 R874	E871-I873 PolarHBondContact O-N 3.31Å; E871-I873 VanDerWaalsContact O-N 3.14Å; E871-R874 PolarHBondContact O-N 3.1Å
872	K	94.9	Very high	91	Very high	146 Å²	146	45.8 Å²	45.8	64%	0.635	23%	0.23	S	C	*	.	H	α-helix	trans	-52.1	-32.7	176.9	-71.4	175.4	-175.6	169.1	0	114.7	H870	H870-K872 VanDerWaalsContact C-N 3.28Å; H870-K872 PolarHBondContact ND1-N 3.39Å; H870-K872 PolarHBondContact O-N 2.92Å; H870-K872 VanDerWaalsContact O-N 3.1Å
873	I	95	Very high	91.9	Very high	7 Å²	7	47 Å²	47	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-119.8	-4.5	-178	70.6	168.5	0	0	0	113.3	D550 G554 V869 H870 E871 N875 T876 Y878	D550-I873 HydrophobicContact CB-CD1 3.89Å; G554-I873 VanDerWaalsContact O-CG2 3.32Å; G554-I873 WeakPolarHBondContact O-CG2 3.34Å; V869-I873 HydrophobicContact CG1-CD1 3.89Å; V869-I873 HydrophobicContact CG1-CG1 3.52Å; H870-I873 PolarHBondContact O-N 3.48Å; E871-I873 PolarHBondContact O-N 3.31Å; E871-I873 VanDerWaalsContact O-N 3.14Å; I873-N875 PolarHBondContact O-N 3.38Å; I873-N875 VanDerWaalsContact O-N 3.16Å; I873-T876 HydrophobicContact CB-CG2 4.43Å; I873-T876 WeakPolarHBondContact O-CB 3.44Å; I873-T876 PolarHBondContact O-N 3.04Å; I873-T876 PolarHBondContact O-OG1 3.26Å; I873-Y878 HydrophobicContact CD1-CG 4.38Å
874	R	93.3	Very high	92.6	Very high	98 Å²	98	49.5 Å²	49.5	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-54.5	-36.1	-179.3	-179	179.5	174.8	-172.5	-2.1	112.6	E667 H870 E871 T876	E667-R874 IonicContact OE1-NH2 2.64Å; E667-R874 PolarHBondContact OE1-NH2 3.17Å; E667-R874 IonicContact OE2-NH2 3.16Å; E667-R874 PolarHBondContact OE2-NH2 2.91Å; H870-R874 PolarHBondContact O-N 2.91Å; E871-R874 PolarHBondContact O-N 3.1Å; R874-T876 VanDerWaalsContact C-N 3.28Å; R874-T876 PolarHBondContact O-N 3.46Å
875	N	93.1	Very high	93.3	Very high	89 Å²	89	50 Å²	50	48%	0.476	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	24.4	179	-60.7	-12.4	0	0	0	112.8	I873	I873-N875 PolarHBondContact O-N 3.38Å; I873-N875 VanDerWaalsContact O-N 3.16Å
876	T	95.2	Very high	93.7	Very high	30 Å²	30	46.2 Å²	46.2	18%	0.184	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	170	175.3	74.4	0	0	0	0	110.3	I873 R874 Y878	I873-T876 HydrophobicContact CB-CG2 4.43Å; I873-T876 WeakPolarHBondContact O-CB 3.44Å; I873-T876 PolarHBondContact O-N 3.04Å; I873-T876 PolarHBondContact O-OG1 3.26Å; R874-T876 VanDerWaalsContact C-N 3.28Å; R874-T876 PolarHBondContact O-N 3.46Å; T876-Y878 PolarHBondContact O-N 3.43Å; T876-Y878 PolarHBondContact OG1-N 2.88Å
877	M	96.5	Very high	94.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	42.8	173.6	-65.5	-178.1	81.4	0	0	111.9	L586 Y644 F827 F879 V880	L586-M877 HydrophobicContact CB-SD 4.1Å; L586-M877 HydrophobicContact CD2-SD 4.37Å; Y644-M877 HydrophobicContact CD2-CE 4.15Å; Y644-M877 WeakPolarHBondContact O-CG 3.32Å; F827-M877 HydrophobicContact CD1-CE 4.15Å; F827-M877 HydrophobicContact CD2-CE 4.09Å; F827-M877 HydrophobicContact CE1-CE 3.68Å; F827-M877 HydrophobicContact CE2-CE 3.6Å; F827-M877 HydrophobicContact CG-CE 4.36Å; F827-M877 HydrophobicContact CZ-CE 3.38Å; M877-F879 HydrophobicContact CB-CZ 4.34Å; M877-F879 HydrophobicContact CG-CZ 4.33Å; M877-F879 PolarHBondContact O-N 3.2Å; M877-V880 HydrophobicContact CB-CG2 3.9Å; M877-V880 HydrophobicContact CE-CG2 3.95Å; M877-V880 WeakPolarHBondContact O-CB 3.3Å; M877-V880 PolarHBondContact O-N 3.17Å
878	Y	95.8	Very high	94.6	Very high	15 Å²	15	52.8 Å²	52.8	6%	0.059	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26	-173.1	74.8	-89.2	0	0	0	113.9	R834 V869 I873 T876 V880	R834-Y878 HydrophobicContact CG-CD2 4.27Å; R834-Y878 HydrophobicContact CG-CE2 3.8Å; R834-Y878 VanDerWaalsContact CZ-O 3.25Å; R834-Y878 PolarHBondContact NH1-O 3.19Å; R834-Y878 PolarHBondContact NH2-O 3.43Å; V869-Y878 HydrophobicContact CB-CE1 4.36Å; V869-Y878 HydrophobicContact CB-CE2 4.47Å; V869-Y878 HydrophobicContact CG1-CD1 4.09Å; V869-Y878 HydrophobicContact CG1-CD2 4.26Å; V869-Y878 HydrophobicContact CG1-CE1 4.11Å; V869-Y878 HydrophobicContact CG1-CE2 4.33Å; V869-Y878 HydrophobicContact CG1-CG 4.18Å; V869-Y878 HydrophobicContact CG2-CD2 4.22Å; V869-Y878 HydrophobicContact CG2-CE1 4.16Å; V869-Y878 HydrophobicContact CG2-CE2 3.55Å; I873-Y878 HydrophobicContact CD1-CG 4.38Å; T876-Y878 PolarHBondContact O-N 3.43Å; T876-Y878 PolarHBondContact OG1-N 2.88Å; Y878-V880 VanDerWaalsContact C-N 3.29Å; Y878-V880 PolarHBondContact O-N 3.3Å
879	F	95	Very high	94.8	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.3	-179.4	46.7	-96.8	0	0	0	113.5	A646 F827 L830 A831 R834 M877	A646-F879 HydrophobicContact CB-CD1 3.91Å; A646-F879 HydrophobicContact CB-CE1 3.71Å; F827-F879 HydrophobicContact CB-CD2 4.35Å; F827-F879 HydrophobicContact CB-CE2 3.61Å; F827-F879 HydrophobicContact CB-CZ 4.3Å; F827-F879 HydrophobicContact CD1-CD2 4.38Å; F827-F879 AromaticContact CD1-CE2 3.79Å; F827-F879 HydrophobicContact CD1-CE2 3.79Å; F827-F879 AromaticContact CG-CE2 3.83Å; F827-F879 HydrophobicContact CG-CE2 3.83Å; L830-F879 HydrophobicContact CB-CD2 4.33Å; A831-F879 HydrophobicContact CB-CB 4Å; A831-F879 HydrophobicContact CB-CD1 4.24Å; A831-F879 HydrophobicContact CB-CG 4.01Å; R834-F879 HydrophobicContact CB-CB 4.38Å; R834-F879 PolarHBondContact NH2-O 3.37Å; R834-F879 VanDerWaalsContact NH2-O 3.11Å; M877-F879 HydrophobicContact CB-CZ 4.34Å; M877-F879 HydrophobicContact CG-CZ 4.33Å; M877-F879 PolarHBondContact O-N 3.2Å
880	V	93	Very high	94.8	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.103	26%	0.257	C	S	.	.			trans	-67.5	0	-179.5	176	0	0	0	0	113.8	K583 V587 C814 F827 M877 Y878	K583-V880 WeakPolarHBondContact CE-O 3.34Å; K583-V880 WeakPolarHBondContact CE-OXT 3.27Å; K583-V880 HydrophobicContact CG-CG1 4.2Å; K583-V880 PolarHBondContact NZ-O 2.87Å; K583-V880 PolarHBondContact NZ-OXT 3.03Å; V587-V880 HydrophobicContact CG1-CB 3.92Å; V587-V880 HydrophobicContact CG1-CG1 4.29Å; C814-V880 WeakPolarHBondContact SG-CG1 3.44Å; F827-V880 HydrophobicContact CD1-CG2 3.95Å; F827-V880 HydrophobicContact CE1-CG2 3.79Å; M877-V880 HydrophobicContact CB-CG2 3.9Å; M877-V880 HydrophobicContact CE-CG2 3.95Å; M877-V880 WeakPolarHBondContact O-CB 3.3Å; M877-V880 PolarHBondContact O-N 3.17Å; Y878-V880 VanDerWaalsContact C-N 3.29Å; Y878-V880 PolarHBondContact O-N 3.3Å

Retrieved 880 of 880 residues in 983.8 ms (Link to these results)

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