A0AA82N8F0_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8F0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	59.8	Low	72.3	Confident	117 Å²	117	78.5 Å²	78.5	58%	0.576	46%	0.455	S	S	*	.				0	104.7	0	-64.5	179.4	-70.3	0	0	108.7	L7 G8 I54	M1-L7 HydrophobicContact CB-CB 4.5Å; M1-L7 PolarHBondContact O-N 2.9Å; M1-L7 VanDerWaalsContact O-N 3.14Å; M1-G8 PolarHBondContact N-O 3.37Å; M1-I54 HydrophobicContact SD-CD1 4.31Å
2	N	55.3	Low	73.1	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-105.4	111.3	175.5	-74.4	-8.1	0	0	0	108
3	G	61.9	Low	73.5	Confident	53 Å²	53	75.1 Å²	75.1	55%	0.546	42%	0.422	S	S	.	.	S	Bend	trans	-102	-145	160.3	0	0	0	0	0	109.5	K5	G3-K5 PolarHBondContact N-O 3.43Å; G3-K5 VanDerWaalsContact N-O 3.11Å; G3-K5 PolarHBondContact O-N 3.14Å; G3-K5 VanDerWaalsContact O-N 3.12Å
4	S	60.1	Low	73.6	Confident	143 Å²	143	70.7 Å²	70.7	100%	1	40%	0.399	S	S	*	.	S	Bend	trans	-56.8	-22.9	164.4	57.2	0	0	0	0	112.7
5	K	67.3	Low	73.4	Confident	85 Å²	85	72.2 Å²	72.2	37%	0.37	42%	0.416	S	S	.	.	S	Bend	trans	-132.7	145.5	171.5	-170.1	168.9	-178.7	166.4	0	110	G3 L7 E89	G3-K5 PolarHBondContact N-O 3.43Å; G3-K5 VanDerWaalsContact N-O 3.11Å; G3-K5 PolarHBondContact O-N 3.14Å; G3-K5 VanDerWaalsContact O-N 3.12Å; K5-L7 PolarHBondContact O-N 2.91Å; K5-E89 WeakPolarHBondContact CE-OE1 3.47Å; K5-E89 IonicContact NZ-OE1 2.67Å; K5-E89 PolarHBondContact NZ-OE1 2.78Å
6	K	70.3	Confident	73.2	Confident	125 Å²	125	73 Å²	73	54%	0.543	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-68.4	112.1	169.2	-175.1	172.4	-176.8	176	0	108.4	S82	K6-S82 PolarHBondContact O-OG 3.46Å
7	L	74.5	Confident	73.2	Confident	112 Å²	112	70.5 Å²	70.5	59%	0.586	40%	0.399	S	S	*	.			trans	-83.1	-39.9	-179.3	-62.3	177.9	0	0	0	111.1	M1 K5 S82	M1-L7 HydrophobicContact CB-CB 4.5Å; M1-L7 PolarHBondContact O-N 2.9Å; M1-L7 VanDerWaalsContact O-N 3.14Å; K5-L7 PolarHBondContact O-N 2.91Å; L7-S82 PolarHBondContact O-N 3.05Å
8	G	85	Confident	73	Confident	8 Å²	8	71.3 Å²	71.3	8%	0.082	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	178	-177.7	0	0	0	0	0	112.8	M1 S80	M1-G8 PolarHBondContact N-O 3.37Å; G8-S80 CarbonylContact C-O 3.56Å; G8-S80 WeakPolarHBondContact CA-O 3.14Å
9	S	87.5	Confident	72.9	Confident	42 Å²	42	73.4 Å²	73.4	29%	0.294	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.1	-178.1	-166.9	0	0	0	0	109.5	L79 S80	S9-L79 CarbonylContact O-C 3.52Å; S9-L79 WeakPolarHBondContact O-CA 3.49Å; S9-S80 PolarHBondContact N-O 3.41Å; S9-S80 PolarHBondContact O-N 3.44Å
10	I	89	Confident	73	Confident	32 Å²	32	71.8 Å²	71.8	16%	0.164	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.7	161.3	-53.2	172.3	0	0	0	104.7	H52 I54 I60 L79	I10-H52 HydrophobicContact CD1-CB 4.46Å; I10-H52 HydrophobicContact CG2-CB 4.37Å; I10-H52 WeakPolarHBondContact CG2-CD2 3.4Å; I10-H52 WeakPolarHBondContact CG2-NE2 3.43Å; I10-I54 HydrophobicContact CD1-CD1 3.8Å; I10-I54 HydrophobicContact CD1-CG1 4.03Å; I10-I60 HydrophobicContact CD1-CD1 4.45Å; I10-I60 HydrophobicContact CD1-CG2 3.72Å; I10-L79 HydrophobicContact CD1-CD2 4.42Å; I10-L79 HydrophobicContact CG1-CD2 4.1Å; I10-L79 HydrophobicContact CG1-CG 4.28Å; I10-L79 HydrophobicContact CG2-CG 4.43Å
11	S	84.6	Confident	73.6	Confident	35 Å²	35	74.5 Å²	74.5	25%	0.245	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.1	-171.9	54.9	0	0	0	0	110.6	S77 R78	S11-S77 WeakPolarHBondContact O-CA 3.26Å; S11-R78 PolarHBondContact N-O 3.4Å; S11-R78 PolarHBondContact O-N 3.26Å; S11-R78 PolarHBondContact OG-O 3.49Å
12	S	82.4	Confident	75	Confident	15 Å²	15	76.8 Å²	76.8	11%	0.105	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.9	176.7	-80.4	0	0	0	0	106.9	H52 Q76 S77	S12-H52 PolarHBondContact OG-NE2 3.22Å; S12-Q76 CarbonylContact C-O 3.51Å; S12-Q76 WeakPolarHBondContact CA-O 3.06Å; S12-S77 PolarHBondContact OG-OG 3.21Å
13	Y	77.5	Confident	76.7	Confident	97 Å²	97	73 Å²	73	38%	0.38	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.6	-172.6	74.4	-91.7	0	0	0	112.9	Q76 R78	Y13-Q76 HydrophobicContact CD1-CB 4.18Å; Y13-Q76 HydrophobicContact CE1-CB 3.75Å; Y13-Q76 HydrophobicContact CE2-CB 4.31Å; Y13-Q76 HydrophobicContact CE2-CG 4.47Å; Y13-Q76 PolarHBondContact N-O 2.78Å; Y13-Q76 PolarHBondContact O-N 3.36Å; Y13-Q76 PolarHBondContact OH-OE1 2.79Å; Y13-R78 PolarHBondContact OH-NH2 2.74Å; Y13-R78 VanDerWaalsContact OH-NH2 3.07Å
14	S	75.3	Confident	78	Confident	14 Å²	14	75.6 Å²	75.6	10%	0.098	40%	0.401	C	S	.	.			trans	-150.2	153.6	166.8	-172.8	0	0	0	0	109.1	H16 I17 P74	S14-H16 PolarHBondContact O-N 2.77Å; S14-H16 PolarHBondContact OG-N 3.34Å; S14-I17 WeakPolarHBondContact O-CG1 3.5Å; S14-P74 WeakPolarHBondContact CA-O 3.17Å; S14-P74 VanDerWaalsContact CB-O 3.3Å; S14-P74 WeakPolarHBondContact CB-O 3.21Å; S14-P74 PolarHBondContact OG-O 3.28Å
15	S	70	Confident	79.4	Confident	93 Å²	93	69.6 Å²	69.6	65%	0.65	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.8	173.2	50	0	0	0	0	113.4
16	H	70.9	Confident	80.4	Confident	85 Å²	85	72.1 Å²	72.1	39%	0.394	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	6.2	-173	-61.6	83.4	0	0	0	113.5	S14 K40 L73	S14-H16 PolarHBondContact O-N 2.77Å; S14-H16 PolarHBondContact OG-N 3.34Å; H16-K40 VanDerWaalsContact O-CB 3.29Å; H16-K40 WeakPolarHBondContact O-CB 3.46Å; H16-K40 PolarHBondContact O-N 2.84Å; H16-L73 HydrophobicContact CB-CD1 4.28Å; H16-L73 HydrophobicContact CB-CD2 3.51Å; H16-L73 HydrophobicContact CB-CG 4.38Å
17	I	72.9	Confident	81.2	Confident	30 Å²	30	70.9 Å²	70.9	15%	0.154	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-96.3	142.8	176	50.9	166	0	0	0	110.2	S14 F37 Q38 F48	S14-I17 WeakPolarHBondContact O-CG1 3.5Å; I17-F37 HydrophobicContact CB-CD1 4.01Å; I17-F37 HydrophobicContact CD1-CD1 3.32Å; I17-F37 HydrophobicContact CD1-CE1 3.3Å; I17-F37 HydrophobicContact CD1-CZ 4.48Å; I17-F37 HydrophobicContact CG1-CD1 4.21Å; I17-F37 HydrophobicContact CG2-CB 4.17Å; I17-F37 HydrophobicContact CG2-CD1 4.08Å; I17-F37 HydrophobicContact CG2-CG 4.43Å; I17-Q38 WeakPolarHBondContact CA-O 3.39Å; I17-F48 HydrophobicContact CG2-CE1 4.04Å; I17-F48 HydrophobicContact CG2-CZ 3.75Å
18	I	70.3	Confident	81.6	Confident	85 Å²	85	74.3 Å²	74.3	44%	0.436	38%	0.384	S	S	.	.			trans	-69	151.3	163.1	-59.8	174.2	0	0	0	107.6	P20 Q38	I18-P20 VanDerWaalsContact O-N 3.1Å; I18-Q38 HydrophobicContact CB-CB 4.42Å; I18-Q38 HydrophobicContact CD1-CB 4.08Å; I18-Q38 PolarHBondContact N-O 3.49Å
19	S	70.1	Confident	81.8	Confident	111 Å²	111	77.4 Å²	77.4	78%	0.776	40%	0.399	S	S	*	.			trans	-43.7	120	174.5	-61.8	0	0	0	0	110.4
20	P	76.1	Confident	81.9	Confident	42 Å²	42	75.9 Å²	75.9	27%	0.273	39%	0.387	S	S	.	.			trans	-68.3	148.2	-174.6	25.4	-32.8	0	0	0	111.2	I18 L35 S36 F37	I18-P20 VanDerWaalsContact O-N 3.1Å; P20-L35 HydrophobicContact CB-CD2 4.03Å; P20-L35 HydrophobicContact CG-CD2 3.96Å; P20-S36 VanDerWaalsContact CA-O 3.27Å; P20-S36 WeakPolarHBondContact CA-O 3.39Å; P20-S36 WeakPolarHBondContact CB-O 3.14Å; P20-F37 HydrophobicContact CB-CD1 3.61Å; P20-F37 HydrophobicContact CB-CE1 3.5Å; P20-F37 HydrophobicContact CB-CG 4.27Å; P20-F37 HydrophobicContact CB-CZ 4.09Å; P20-F37 HydrophobicContact CG-CD1 4.12Å; P20-F37 HydrophobicContact CG-CE1 3.63Å; P20-F37 HydrophobicContact CG-CZ 4.3Å
21	Q	85.3	Confident	82.1	Confident	128 Å²	128	77.2 Å²	77.2	60%	0.598	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.6	158.4	-65.8	178.2	-6.4	0	0	108.2	L35 S36	Q21-L35 CarbonylContact O-C 3.59Å; Q21-L35 WeakPolarHBondContact O-CA 3.47Å; Q21-S36 PolarHBondContact N-O 3.42Å; Q21-S36 PolarHBondContact O-N 3.13Å
22	Y	88.4	Confident	82.5	Confident	166 Å²	166	75.5 Å²	75.5	65%	0.651	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.9	-179.4	51.7	-94.3	0	0	0	110.5	F24 R34	Y22-F24 AromaticContact CD2-CD2 3.97Å; Y22-F24 HydrophobicContact CD2-CD2 3.97Å; Y22-F24 AromaticContact CD2-CE2 3.52Å; Y22-F24 HydrophobicContact CD2-CE2 3.52Å; Y22-F24 HydrophobicContact CE2-CE2 4.31Å; Y22-F24 HydrophobicContact CG-CE2 4.08Å; Y22-R34 CarbonylContact C-O 3.59Å; Y22-R34 VanDerWaalsContact CA-O 3.3Å; Y22-R34 WeakPolarHBondContact CA-O 3.46Å
23	E	91	Very high	82.9	Confident	32 Å²	32	76.6 Å²	76.6	15%	0.15	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.6	170.5	-172.6	-163.6	146.1	0	0	107.9	H33 R34 R189	E23-H33 WeakPolarHBondContact O-CA 3.39Å; E23-R34 HydrophobicContact CB-CB 4.21Å; E23-R34 PolarHBondContact N-O 3.37Å; E23-R34 PolarHBondContact O-N 2.93Å; E23-R34 IonicContact OE1-CZ 3.58Å; E23-R34 IonicContact OE1-NH1 3.7Å; E23-R34 PolarHBondContact OE1-NH1 3.23Å; E23-R34 WeakPolarHBondContact OE2-CD 3.39Å; E23-R34 IonicContact OE2-NH1 2.77Å; E23-R189 IonicContact OE1-NE 2.64Å
24	F	89.7	Confident	83.5	Confident	108 Å²	108	72.7 Å²	72.7	47%	0.474	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.8	176.8	-68.1	-87.8	0	0	0	109.3	Y22 A32 H33	Y22-F24 AromaticContact CD2-CD2 3.97Å; Y22-F24 HydrophobicContact CD2-CD2 3.97Å; Y22-F24 AromaticContact CD2-CE2 3.52Å; Y22-F24 HydrophobicContact CD2-CE2 3.52Å; Y22-F24 HydrophobicContact CE2-CE2 4.31Å; Y22-F24 HydrophobicContact CG-CE2 4.08Å; F24-A32 WeakPolarHBondContact CA-O 3.27Å; F24-H33 HydrophobicContact CD1-CB 3.85Å; F24-H33 AromaticContact CD1-CD2 3.73Å; F24-H33 AromaticContact CD1-CG 3.93Å; F24-H33 HydrophobicContact CE1-CB 3.72Å; F24-H33 AromaticContact CE1-CD2 3.14Å; F24-H33 WeakPolarHBondContact CE1-CD2 3.07Å; F24-H33 AromaticContact CE1-CG 3.35Å; F24-H33 AromaticContact CE1-ND1 3.94Å; F24-H33 AromaticContact CE1-NE2 3.65Å; F24-H33 AromaticContact CE2-CD2 3.89Å; F24-H33 AromaticContact CZ-CD2 3.23Å; F24-H33 WeakPolarHBondContact CZ-CD2 3.41Å; F24-H33 AromaticContact CZ-CE1 3.96Å; F24-H33 AromaticContact CZ-CG 3.88Å; F24-H33 AromaticContact CZ-NE2 3.31Å; F24-H33 VanDerWaalsContact CZ-NE2 3.31Å; F24-H33 WeakPolarHBondContact CZ-NE2 3.26Å
25	S	88.9	Confident	84.2	Confident	16 Å²	16	72.8 Å²	72.8	11%	0.112	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	171.7	167.7	0	0	0	0	107.8	L31 A32	S25-L31 CarbonylContact O-C 3.38Å; S25-L31 WeakPolarHBondContact O-CA 3.47Å; S25-A32 PolarHBondContact N-O 3.12Å; S25-A32 PolarHBondContact O-N 2.64Å
26	N	88.3	Confident	85.1	Confident	138 Å²	138	69 Å²	69	74%	0.738	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	94.5	177.8	-175.7	29.7	0	0	0	108.5	L31	N26-L31 HydrophobicContact CB-CD1 3.73Å
27	K	87.9	Confident	85.8	Confident	99 Å²	99	65 Å²	65	43%	0.43	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	162.2	176.2	-65.5	-178	174	-178.2	0	109.2	N29 L30 E186	K27-N29 PolarHBondContact O-N 3.44Å; K27-L30 HydrophobicContact CB-CG 4.46Å; K27-L30 PolarHBondContact N-O 2.99Å; K27-L30 PolarHBondContact O-N 3.16Å; K27-E186 WeakPolarHBondContact CE-OE1 3.32Å; K27-E186 IonicContact NZ-OE1 2.91Å; K27-E186 PolarHBondContact NZ-OE1 3.08Å
28	E	83.1	Confident	86.3	Confident	185 Å²	185	66.5 Å²	66.5	86%	0.864	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.9	178.6	-171.4	174.3	-173.7	0	0	112.5
29	N	88	Confident	86.7	Confident	72 Å²	72	63.2 Å²	63.2	39%	0.385	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5	-174.4	-62.7	-24	0	0	0	114.6	K27 P56 I178	K27-N29 PolarHBondContact O-N 3.44Å; N29-P56 WeakPolarHBondContact O-CD 3.16Å; N29-P56 WeakPolarHBondContact O-CG 3.43Å; N29-I178 WeakPolarHBondContact O-CD1 3.29Å
30	L	91.1	Very high	86.9	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	149.9	178.4	63.3	98	0	0	0	113	K27 A32 L53 I54 I178 E186	K27-L30 HydrophobicContact CB-CG 4.46Å; K27-L30 PolarHBondContact N-O 2.99Å; K27-L30 PolarHBondContact O-N 3.16Å; L30-A32 HydrophobicContact CD1-CB 3.79Å; L30-L53 HydrophobicContact CD1-CD2 4.34Å; L30-I54 WeakPolarHBondContact CA-O 3.3Å; L30-I178 HydrophobicContact CB-CD1 3.97Å; L30-I178 HydrophobicContact CD2-CD1 3.99Å; L30-E186 HydrophobicContact CD1-CG 4.02Å; L30-E186 HydrophobicContact CD2-CG 3.78Å
31	L	91.7	Very high	86.9	Confident	60 Å²	60	67.1 Å²	67.1	31%	0.314	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.1	161.9	-176.4	78.2	0	0	0	109.1	S25 N26 L53 I54	S25-L31 CarbonylContact O-C 3.38Å; S25-L31 WeakPolarHBondContact O-CA 3.47Å; N26-L31 HydrophobicContact CB-CD1 3.73Å; L31-L53 CarbonylContact O-C 3.52Å; L31-L53 WeakPolarHBondContact O-CA 3.36Å; L31-I54 HydrophobicContact CB-CB 4.26Å; L31-I54 HydrophobicContact CD2-CD1 4.11Å; L31-I54 PolarHBondContact N-O 2.77Å; L31-I54 PolarHBondContact O-N 2.9Å
32	A	93.4	Very high	86.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.3	174.8	0	0	0	0	0	111.2	F24 S25 L30 H52 L53	F24-A32 WeakPolarHBondContact CA-O 3.27Å; S25-A32 PolarHBondContact N-O 3.12Å; S25-A32 PolarHBondContact O-N 2.64Å; L30-A32 HydrophobicContact CD1-CB 3.79Å; A32-H52 CarbonylContact C-O 3.51Å; A32-H52 WeakPolarHBondContact CA-O 3.49Å; A32-L53 HydrophobicContact CB-CD2 3.57Å
33	H	90.8	Very high	86	Confident	37 Å²	37	60.3 Å²	60.3	17%	0.171	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	109.7	171.6	171.1	-148.3	0	0	0	108.4	E23 F24 H52	E23-H33 WeakPolarHBondContact O-CA 3.39Å; F24-H33 HydrophobicContact CD1-CB 3.85Å; F24-H33 AromaticContact CD1-CD2 3.73Å; F24-H33 AromaticContact CD1-CG 3.93Å; F24-H33 HydrophobicContact CE1-CB 3.72Å; F24-H33 AromaticContact CE1-CD2 3.14Å; F24-H33 WeakPolarHBondContact CE1-CD2 3.07Å; F24-H33 AromaticContact CE1-CG 3.35Å; F24-H33 AromaticContact CE1-ND1 3.94Å; F24-H33 AromaticContact CE1-NE2 3.65Å; F24-H33 AromaticContact CE2-CD2 3.89Å; F24-H33 AromaticContact CZ-CD2 3.23Å; F24-H33 WeakPolarHBondContact CZ-CD2 3.41Å; F24-H33 AromaticContact CZ-CE1 3.96Å; F24-H33 AromaticContact CZ-CG 3.88Å; F24-H33 AromaticContact CZ-NE2 3.31Å; F24-H33 VanDerWaalsContact CZ-NE2 3.31Å; F24-H33 WeakPolarHBondContact CZ-NE2 3.26Å; H33-H52 HydrophobicContact CB-CB 4.29Å; H33-H52 AromaticContact CG-ND1 3.96Å; H33-H52 PolarHBondContact N-O 2.9Å; H33-H52 AromaticContact ND1-ND1 3.31Å; H33-H52 PolarHBondContact ND1-ND1 3.29Å; H33-H52 PolarHBondContact O-N 3.46Å
34	R	91.1	Very high	85.6	Confident	16 Å²	16	64.9 Å²	64.9	6%	0.06	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.5	-179.4	-57.9	171.7	175.8	102.7	14.7	109.3	Y22 E23 T51 E186	Y22-R34 CarbonylContact C-O 3.59Å; Y22-R34 VanDerWaalsContact CA-O 3.3Å; Y22-R34 WeakPolarHBondContact CA-O 3.46Å; E23-R34 HydrophobicContact CB-CB 4.21Å; E23-R34 PolarHBondContact N-O 3.37Å; E23-R34 PolarHBondContact O-N 2.93Å; E23-R34 IonicContact OE1-CZ 3.58Å; E23-R34 IonicContact OE1-NH1 3.7Å; E23-R34 PolarHBondContact OE1-NH1 3.23Å; E23-R34 WeakPolarHBondContact OE2-CD 3.39Å; E23-R34 IonicContact OE2-NH1 2.77Å; R34-T51 HydrophobicContact CG-CG2 4.04Å; R34-E186 IonicContact CZ-OE2 2.66Å; R34-E186 PolarHBondContact NE-O 3.02Å; R34-E186 PolarHBondContact NH2-O 2.66Å; R34-E186 IonicContact NH2-OE2 2.71Å; R34-E186 PolarHBondContact NH2-OE2 2.03Å
35	L	90.1	Very high	85.2	Confident	15 Å²	15	67 Å²	67	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.3	176.6	-65.1	133.8	0	0	0	108.8	P20 Q21 F37 K49 I50 H52	P20-L35 HydrophobicContact CB-CD2 4.03Å; P20-L35 HydrophobicContact CG-CD2 3.96Å; Q21-L35 CarbonylContact O-C 3.59Å; Q21-L35 WeakPolarHBondContact O-CA 3.47Å; L35-F37 HydrophobicContact CB-CD2 4.13Å; L35-F37 HydrophobicContact CB-CE2 3.36Å; L35-F37 HydrophobicContact CB-CZ 3.7Å; L35-F37 HydrophobicContact CD1-CE2 4.36Å; L35-F37 HydrophobicContact CD1-CZ 4.28Å; L35-F37 HydrophobicContact CD2-CZ 4.02Å; L35-F37 HydrophobicContact CG-CE2 4.31Å; L35-F37 HydrophobicContact CG-CZ 4.23Å; L35-K49 CarbonylContact O-C 3.6Å; L35-K49 WeakPolarHBondContact O-CA 2.92Å; L35-I50 PolarHBondContact N-O 3.27Å; L35-I50 PolarHBondContact O-N 2.89Å; L35-H52 WeakPolarHBondContact CD1-CE1 3.48Å
36	S	88.9	Confident	85	Confident	14 Å²	14	72.2 Å²	72.2	10%	0.098	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.5	171.6	-171.8	0	0	0	0	109	P20 Q21	P20-S36 VanDerWaalsContact CA-O 3.27Å; P20-S36 WeakPolarHBondContact CA-O 3.39Å; P20-S36 WeakPolarHBondContact CB-O 3.14Å; Q21-S36 PolarHBondContact N-O 3.42Å; Q21-S36 PolarHBondContact O-N 3.13Å
37	F	85.7	Confident	84.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.3	-177	-63.1	-85.1	0	0	0	110.3	I17 P20 L35 T47 F48 I50 F75	I17-F37 HydrophobicContact CB-CD1 4.01Å; I17-F37 HydrophobicContact CD1-CD1 3.32Å; I17-F37 HydrophobicContact CD1-CE1 3.3Å; I17-F37 HydrophobicContact CD1-CZ 4.48Å; I17-F37 HydrophobicContact CG1-CD1 4.21Å; I17-F37 HydrophobicContact CG2-CB 4.17Å; I17-F37 HydrophobicContact CG2-CD1 4.08Å; I17-F37 HydrophobicContact CG2-CG 4.43Å; P20-F37 HydrophobicContact CB-CD1 3.61Å; P20-F37 HydrophobicContact CB-CE1 3.5Å; P20-F37 HydrophobicContact CB-CG 4.27Å; P20-F37 HydrophobicContact CB-CZ 4.09Å; P20-F37 HydrophobicContact CG-CD1 4.12Å; P20-F37 HydrophobicContact CG-CE1 3.63Å; P20-F37 HydrophobicContact CG-CZ 4.3Å; L35-F37 HydrophobicContact CB-CD2 4.13Å; L35-F37 HydrophobicContact CB-CE2 3.36Å; L35-F37 HydrophobicContact CB-CZ 3.7Å; L35-F37 HydrophobicContact CD1-CE2 4.36Å; L35-F37 HydrophobicContact CD1-CZ 4.28Å; L35-F37 HydrophobicContact CD2-CZ 4.02Å; L35-F37 HydrophobicContact CG-CE2 4.31Å; L35-F37 HydrophobicContact CG-CZ 4.23Å; F37-T47 CarbonylContact O-C 3.57Å; F37-T47 WeakPolarHBondContact O-CA 3.47Å; F37-F48 HydrophobicContact CB-CD1 3.89Å; F37-F48 HydrophobicContact CB-CD2 4.07Å; F37-F48 HydrophobicContact CB-CE1 3.4Å; F37-F48 HydrophobicContact CB-CE2 3.6Å; F37-F48 HydrophobicContact CB-CG 4.21Å; F37-F48 HydrophobicContact CB-CZ 3.26Å; F37-F48 HydrophobicContact CD1-CZ 4.48Å; F37-F48 AromaticContact CD2-CD2 3.99Å; F37-F48 HydrophobicContact CD2-CD2 3.99Å; F37-F48 AromaticContact CD2-CE2 3.49Å; F37-F48 HydrophobicContact CD2-CE2 3.49Å; F37-F48 VanDerWaalsContact CD2-CE2 3.49Å; F37-F48 AromaticContact CD2-CZ 3.98Å; F37-F48 HydrophobicContact CD2-CZ 3.98Å; F37-F48 HydrophobicContact CE2-CE2 4.34Å; F37-F48 HydrophobicContact CG-CD2 4.4Å; F37-F48 HydrophobicContact CG-CE1 4.32Å; F37-F48 AromaticContact CG-CE2 3.71Å; F37-F48 HydrophobicContact CG-CE2 3.71Å; F37-F48 AromaticContact CG-CZ 3.69Å; F37-F48 HydrophobicContact CG-CZ 3.69Å; F37-F48 PolarHBondContact N-O 3.49Å; F37-F48 PolarHBondContact O-N 2.94Å; F37-I50 HydrophobicContact CD2-CD1 4.35Å; F37-I50 HydrophobicContact CD2-CG1 4.36Å; F37-I50 HydrophobicContact CE2-CB 4.17Å; F37-I50 HydrophobicContact CE2-CD1 3.82Å; F37-I50 HydrophobicContact CE2-CG1 4.02Å; F37-F75 HydrophobicContact CE2-CZ 4.44Å
38	Q	82.8	Confident	84.8	Confident	62 Å²	62	63.6 Å²	63.6	29%	0.29	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.2	167.3	-68.6	179	24.4	0	0	109.2	I17 I18 T47	I17-Q38 WeakPolarHBondContact CA-O 3.39Å; I18-Q38 HydrophobicContact CB-CB 4.42Å; I18-Q38 HydrophobicContact CD1-CB 4.08Å; I18-Q38 PolarHBondContact N-O 3.49Å; Q38-T47 HydrophobicContact CG-CG2 3.57Å
39	N	78.4	Confident	85.1	Confident	17 Å²	17	56.2 Å²	56.2	9%	0.091	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-78.5	133.1	175.5	-63.7	-49.6	0	0	0	110.3	G41 D42 F48 I71 L73	N39-G41 PolarHBondContact O-N 3.41Å; N39-D42 HydrophobicContact CB-CB 4.16Å; N39-D42 PolarHBondContact O-N 2.81Å; N39-D42 VanDerWaalsContact O-N 3.16Å; N39-F48 WeakPolarHBondContact OD1-CE1 3.2Å; N39-I71 HydrophobicContact CB-CD1 4.49Å; N39-I71 WeakPolarHBondContact ND2-CD1 3.41Å; N39-L73 WeakPolarHBondContact OD1-CD1 3.48Å
40	K	74.7	Confident	85.2	Confident	162 Å²	162	52.8 Å²	52.8	70%	0.704	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	121.3	174.5	-170.3	178.5	-177.9	-179	0	108.8	H16	H16-K40 VanDerWaalsContact O-CB 3.29Å; H16-K40 WeakPolarHBondContact O-CB 3.46Å; H16-K40 PolarHBondContact O-N 2.84Å
41	G	75.1	Confident	85.3	Confident	73 Å²	73	52.8 Å²	52.8	75%	0.753	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	1.8	-179.9	0	0	0	0	0	115.2	N39 S43	N39-G41 PolarHBondContact O-N 3.41Å; G41-S43 PolarHBondContact O-N 3.28Å; G41-S43 VanDerWaalsContact O-N 3.12Å
42	D	77.6	Confident	85.4	Confident	31 Å²	31	50.1 Å²	50.1	17%	0.166	27%	0.266	C	S	.	.			trans	-72.3	105	169.3	-175.9	10	0	0	0	110.1	N39 L44 K45 R46	N39-D42 HydrophobicContact CB-CB 4.16Å; N39-D42 PolarHBondContact O-N 2.81Å; N39-D42 VanDerWaalsContact O-N 3.16Å; D42-L44 PolarHBondContact O-N 3.37Å; D42-L44 WeakPolarHBondContact OD1-CB 3.47Å; D42-L44 PolarHBondContact OD1-N 2.9Å; D42-K45 WeakPolarHBondContact O-CA 3.37Å; D42-K45 PolarHBondContact O-N 3.07Å; D42-R46 WeakPolarHBondContact OD2-CB 2.96Å; D42-R46 PolarHBondContact OD2-N 3.06Å; D42-R46 IonicContact OD2-NE 3.84Å; D42-R46 PolarHBondContact OD2-NE 3.48Å
43	S	78.5	Confident	85.3	Confident	119 Å²	119	50.2 Å²	50.2	83%	0.832	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30	177.4	-55.4	0	0	0	0	112.8	G41 K45	G41-S43 PolarHBondContact O-N 3.28Å; G41-S43 VanDerWaalsContact O-N 3.12Å; S43-K45 PolarHBondContact O-N 3Å
44	L	81.9	Confident	85.4	Confident	129 Å²	129	50.2 Å²	50.2	68%	0.675	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.3	177.3	-62.8	177.2	0	0	0	112.7	D42 R46	D42-L44 PolarHBondContact O-N 3.37Å; D42-L44 WeakPolarHBondContact OD1-CB 3.47Å; D42-L44 PolarHBondContact OD1-N 2.9Å; L44-R46 HydrophobicContact CB-CG 3.89Å; L44-R46 PolarHBondContact O-N 2.76Å; L44-R46 VanDerWaalsContact O-N 3.14Å
45	K	80.8	Confident	85.4	Confident	152 Å²	152	50.5 Å²	50.5	66%	0.661	27%	0.27	S	S	*	.			trans	48.8	37.7	-177	-59.2	-177.5	179.2	178.7	0	112.6	D42 S43 T47	D42-K45 WeakPolarHBondContact O-CA 3.37Å; D42-K45 PolarHBondContact O-N 3.07Å; S43-K45 PolarHBondContact O-N 3Å; K45-T47 PolarHBondContact O-N 3.01Å
46	R	84.2	Confident	85.3	Confident	125 Å²	125	54.5 Å²	54.5	47%	0.472	30%	0.297	S	S	.	.			trans	-66.1	137.4	-179.5	-65.1	178.9	-72.5	-174.8	-2.8	109.2	D42 L44	D42-R46 WeakPolarHBondContact OD2-CB 2.96Å; D42-R46 PolarHBondContact OD2-N 3.06Å; D42-R46 IonicContact OD2-NE 3.84Å; D42-R46 PolarHBondContact OD2-NE 3.48Å; L44-R46 HydrophobicContact CB-CG 3.89Å; L44-R46 PolarHBondContact O-N 2.76Å; L44-R46 VanDerWaalsContact O-N 3.14Å
47	T	85.5	Confident	85.1	Confident	45 Å²	45	58.7 Å²	58.7	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	177	57.4	0	0	0	0	110.2	F37 Q38 K45	F37-T47 CarbonylContact O-C 3.57Å; F37-T47 WeakPolarHBondContact O-CA 3.47Å; Q38-T47 HydrophobicContact CG-CG2 3.57Å; K45-T47 PolarHBondContact O-N 3.01Å
48	F	86.8	Confident	85.1	Confident	12 Å²	12	60.5 Å²	60.5	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150	162.2	67	-86.7	0	0	0	109.2	I17 F37 N39 I50 D65 K66 F75	I17-F48 HydrophobicContact CG2-CE1 4.04Å; I17-F48 HydrophobicContact CG2-CZ 3.75Å; F37-F48 HydrophobicContact CB-CD1 3.89Å; F37-F48 HydrophobicContact CB-CD2 4.07Å; F37-F48 HydrophobicContact CB-CE1 3.4Å; F37-F48 HydrophobicContact CB-CE2 3.6Å; F37-F48 HydrophobicContact CB-CG 4.21Å; F37-F48 HydrophobicContact CB-CZ 3.26Å; F37-F48 HydrophobicContact CD1-CZ 4.48Å; F37-F48 AromaticContact CD2-CD2 3.99Å; F37-F48 HydrophobicContact CD2-CD2 3.99Å; F37-F48 AromaticContact CD2-CE2 3.49Å; F37-F48 HydrophobicContact CD2-CE2 3.49Å; F37-F48 VanDerWaalsContact CD2-CE2 3.49Å; F37-F48 AromaticContact CD2-CZ 3.98Å; F37-F48 HydrophobicContact CD2-CZ 3.98Å; F37-F48 HydrophobicContact CE2-CE2 4.34Å; F37-F48 HydrophobicContact CG-CD2 4.4Å; F37-F48 HydrophobicContact CG-CE1 4.32Å; F37-F48 AromaticContact CG-CE2 3.71Å; F37-F48 HydrophobicContact CG-CE2 3.71Å; F37-F48 AromaticContact CG-CZ 3.69Å; F37-F48 HydrophobicContact CG-CZ 3.69Å; F37-F48 PolarHBondContact N-O 3.49Å; F37-F48 PolarHBondContact O-N 2.94Å; N39-F48 WeakPolarHBondContact OD1-CE1 3.2Å; F48-I50 HydrophobicContact CD2-CG1 4.45Å; F48-I50 HydrophobicContact CE2-CD1 4.29Å; F48-D65 WeakPolarHBondContact CA-O 3.29Å; F48-D65 WeakPolarHBondContact CB-O 3.44Å; F48-K66 WeakPolarHBondContact CB-O 3.46Å; F48-F75 HydrophobicContact CE2-CD2 4.32Å; F48-F75 AromaticContact CE2-CE2 3.73Å; F48-F75 HydrophobicContact CE2-CE2 3.73Å; F48-F75 HydrophobicContact CE2-CZ 4.12Å; F48-F75 HydrophobicContact CZ-CD2 4.16Å; F48-F75 AromaticContact CZ-CE2 3.79Å; F48-F75 HydrophobicContact CZ-CE2 3.79Å
49	K	89.8	Confident	85.5	Confident	30 Å²	30	58.2 Å²	58.2	13%	0.13	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	-175.7	-56.8	-172.2	178.2	-162.4	0	111.1	L35 D65 D191	L35-K49 CarbonylContact O-C 3.6Å; L35-K49 WeakPolarHBondContact O-CA 2.92Å; K49-D65 HydrophobicContact CB-CB 4.23Å; K49-D65 PolarHBondContact N-O 2.89Å; K49-D65 PolarHBondContact O-N 2.89Å; K49-D191 IonicContact NZ-OD1 3.93Å; K49-D191 PolarHBondContact NZ-OD1 3.15Å; K49-D191 IonicContact NZ-OD2 3.44Å; K49-D191 PolarHBondContact NZ-OD2 3.35Å
50	I	90.8	Very high	86.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.2	170	-58.4	179.8	0	0	0	108.3	L35 F37 F48 V62 Y63 Y64 F75	L35-I50 PolarHBondContact N-O 3.27Å; L35-I50 PolarHBondContact O-N 2.89Å; F37-I50 HydrophobicContact CD2-CD1 4.35Å; F37-I50 HydrophobicContact CD2-CG1 4.36Å; F37-I50 HydrophobicContact CE2-CB 4.17Å; F37-I50 HydrophobicContact CE2-CD1 3.82Å; F37-I50 HydrophobicContact CE2-CG1 4.02Å; F48-I50 HydrophobicContact CD2-CG1 4.45Å; F48-I50 HydrophobicContact CE2-CD1 4.29Å; I50-V62 HydrophobicContact CG2-CG1 3.82Å; I50-Y63 VanDerWaalsContact CA-O 3.29Å; I50-Y63 WeakPolarHBondContact CA-O 3.3Å; I50-Y64 HydrophobicContact CD1-CD1 3.87Å; I50-Y64 HydrophobicContact CD1-CE1 3.81Å; I50-Y64 HydrophobicContact CG1-CD1 3.88Å; I50-Y64 HydrophobicContact CG1-CE1 4.24Å; I50-Y64 HydrophobicContact CG2-CE1 4.41Å; I50-F75 HydrophobicContact CD1-CE1 3.39Å; I50-F75 HydrophobicContact CD1-CE2 4.27Å; I50-F75 HydrophobicContact CD1-CZ 3.17Å
51	T	92.6	Very high	87	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.9	178.6	-57	0	0	0	0	108.9	R34 L53 V62 Y63 L187	R34-T51 HydrophobicContact CG-CG2 4.04Å; T51-L53 HydrophobicContact CG2-CD2 3.86Å; T51-L53 HydrophobicContact CG2-CG 4.14Å; T51-V62 WeakPolarHBondContact O-CA 3.33Å; T51-Y63 PolarHBondContact N-O 3.23Å; T51-Y63 PolarHBondContact O-N 2.79Å; T51-L187 HydrophobicContact CG2-CD2 4.13Å
52	H	92.9	Very high	87.8	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.019	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	169.3	-48	118.1	0	0	0	108.8	I10 S12 A32 H33 L35 S61	I10-H52 HydrophobicContact CD1-CB 4.46Å; I10-H52 HydrophobicContact CG2-CB 4.37Å; I10-H52 WeakPolarHBondContact CG2-CD2 3.4Å; I10-H52 WeakPolarHBondContact CG2-NE2 3.43Å; S12-H52 PolarHBondContact OG-NE2 3.22Å; A32-H52 CarbonylContact C-O 3.51Å; A32-H52 WeakPolarHBondContact CA-O 3.49Å; H33-H52 HydrophobicContact CB-CB 4.29Å; H33-H52 AromaticContact CG-ND1 3.96Å; H33-H52 PolarHBondContact N-O 2.9Å; H33-H52 AromaticContact ND1-ND1 3.31Å; H33-H52 PolarHBondContact ND1-ND1 3.29Å; H33-H52 PolarHBondContact O-N 3.46Å; L35-H52 WeakPolarHBondContact CD1-CE1 3.48Å; H52-S61 CarbonylContact C-O 3.55Å; H52-S61 WeakPolarHBondContact CA-O 3.46Å
53	L	92.7	Very high	88.6	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	175.3	-59	175.8	0	0	0	108.4	L30 L31 A32 T51 L55 I60 S61 L183 L187	L30-L53 HydrophobicContact CD1-CD2 4.34Å; L31-L53 CarbonylContact O-C 3.52Å; L31-L53 WeakPolarHBondContact O-CA 3.36Å; A32-L53 HydrophobicContact CB-CD2 3.57Å; T51-L53 HydrophobicContact CG2-CD2 3.86Å; T51-L53 HydrophobicContact CG2-CG 4.14Å; L53-L55 HydrophobicContact CB-CD1 4.37Å; L53-I60 CarbonylContact O-C 3.59Å; L53-I60 VanDerWaalsContact O-CA 3.26Å; L53-I60 WeakPolarHBondContact O-CA 3.23Å; L53-S61 PolarHBondContact N-O 2.89Å; L53-S61 PolarHBondContact O-N 3.18Å; L53-L183 HydrophobicContact CD1-CD1 3.18Å; L53-L187 HydrophobicContact CD1-CD2 4.14Å
54	I	92	Very high	89.1	Confident	37 Å²	37	42.8 Å²	42.8	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120	171.7	-51.7	-176.3	0	0	0	107.1	M1 I10 L30 L31 I60	M1-I54 HydrophobicContact SD-CD1 4.31Å; I10-I54 HydrophobicContact CD1-CD1 3.8Å; I10-I54 HydrophobicContact CD1-CG1 4.03Å; L30-I54 WeakPolarHBondContact CA-O 3.3Å; L31-I54 HydrophobicContact CB-CB 4.26Å; L31-I54 HydrophobicContact CD2-CD1 4.11Å; L31-I54 PolarHBondContact N-O 2.77Å; L31-I54 PolarHBondContact O-N 2.9Å; I54-I60 HydrophobicContact CG1-CG1 4.37Å; I54-I60 HydrophobicContact CG1-CG2 4.5Å; I54-I60 HydrophobicContact CG2-CG1 4.39Å
55	L	91.2	Very high	89.5	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.115	20%	0.2	C	C	.	.			trans	-96.1	153.9	-178.2	-67.4	85	0	0	0	110.4	L53 N57 G58 K59 I178	L53-L55 HydrophobicContact CB-CD1 4.37Å; L55-N57 WeakPolarHBondContact CB-OD1 3.23Å; L55-N57 PolarHBondContact O-N 2.91Å; L55-G58 PolarHBondContact O-N 2.92Å; L55-K59 HydrophobicContact CB-CB 4.32Å; L55-K59 HydrophobicContact CD1-CB 4.19Å; L55-K59 HydrophobicContact CD1-CG 4.46Å; L55-K59 WeakPolarHBondContact CD1-O 3.31Å; L55-K59 PolarHBondContact N-O 3.04Å; L55-I178 HydrophobicContact CB-CD1 4.45Å; L55-I178 HydrophobicContact CD2-CD1 3.33Å; L55-I178 HydrophobicContact CD2-CG1 3.82Å; L55-I178 HydrophobicContact CG-CD1 3.55Å; L55-I178 HydrophobicContact CG-CG1 4.49Å
56	P	88.8	Confident	89.8	Confident	98 Å²	98	37.6 Å²	37.6	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.6	177.8	-28	33.7	0	0	0	114.4	N29 G58	N29-P56 WeakPolarHBondContact O-CD 3.16Å; N29-P56 WeakPolarHBondContact O-CG 3.43Å; P56-G58 PolarHBondContact O-N 2.84Å
57	N	84.8	Confident	89.7	Confident	102 Å²	102	33 Å²	33	55%	0.545	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.7	175.6	69	-7.3	0	0	0	113.6	L55 K59	L55-N57 WeakPolarHBondContact CB-OD1 3.23Å; L55-N57 PolarHBondContact O-N 2.91Å; N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 VanDerWaalsContact OD1-CB 3.22Å; N57-K59 WeakPolarHBondContact OD1-CB 3.11Å; N57-K59 PolarHBondContact OD1-N 2.81Å
58	G	85.4	Confident	88.9	Confident	39 Å²	39	33.5 Å²	33.5	40%	0.402	18%	0.183	S	C	.	.	S	Bend	trans	86.9	-2.6	-179.7	0	0	0	0	0	114.6	L55 P56	L55-G58 PolarHBondContact O-N 2.92Å; P56-G58 PolarHBondContact O-N 2.84Å
59	K	90.4	Very high	87.8	Confident	14 Å²	14	39 Å²	39	6%	0.061	21%	0.208	C	C	.	.			trans	-65.9	137.8	172.9	-170.5	175.1	-174.9	-178.2	0	109.8	L55 N57 E108 Y109	L55-K59 HydrophobicContact CB-CB 4.32Å; L55-K59 HydrophobicContact CD1-CB 4.19Å; L55-K59 HydrophobicContact CD1-CG 4.46Å; L55-K59 WeakPolarHBondContact CD1-O 3.31Å; L55-K59 PolarHBondContact N-O 3.04Å; N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 VanDerWaalsContact OD1-CB 3.22Å; N57-K59 WeakPolarHBondContact OD1-CB 3.11Å; N57-K59 PolarHBondContact OD1-N 2.81Å; K59-E108 WeakPolarHBondContact CE-OE1 3.29Å; K59-E108 WeakPolarHBondContact CE-OE2 3.16Å; K59-E108 IonicContact NZ-OE1 2.77Å; K59-E108 PolarHBondContact NZ-OE1 2.87Å; K59-E108 IonicContact NZ-OE2 2.74Å; K59-E108 PolarHBondContact NZ-OE2 2.87Å; K59-Y109 WeakPolarHBondContact CA-O 2.96Å
60	I	92.3	Very high	86	Confident	30 Å²	30	45.6 Å²	45.6	15%	0.154	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.6	176.1	-56.9	171	0	0	0	108.6	I10 L53 I54 L79 E108 Y109	I10-I60 HydrophobicContact CD1-CD1 4.45Å; I10-I60 HydrophobicContact CD1-CG2 3.72Å; L53-I60 CarbonylContact O-C 3.59Å; L53-I60 VanDerWaalsContact O-CA 3.26Å; L53-I60 WeakPolarHBondContact O-CA 3.23Å; I54-I60 HydrophobicContact CG1-CG1 4.37Å; I54-I60 HydrophobicContact CG1-CG2 4.5Å; I54-I60 HydrophobicContact CG2-CG1 4.39Å; I60-L79 HydrophobicContact CB-CD2 4.31Å; I60-L79 HydrophobicContact CD1-CD2 3.66Å; I60-L79 HydrophobicContact CG2-CD2 3.91Å; I60-E108 CarbonylContact O-C 3.56Å; I60-Y109 PolarHBondContact N-O 3.08Å; I60-Y109 PolarHBondContact O-N 3.19Å
61	S	92.8	Very high	84.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.8	178	-51.1	0	0	0	0	110.6	H52 L53 V107 E108	H52-S61 CarbonylContact C-O 3.55Å; H52-S61 WeakPolarHBondContact CA-O 3.46Å; L53-S61 PolarHBondContact N-O 2.89Å; L53-S61 PolarHBondContact O-N 3.18Å; S61-V107 CarbonylContact C-O 3.58Å; S61-V107 WeakPolarHBondContact CA-O 3.32Å; S61-E108 PolarHBondContact OG-OE1 2.91Å
62	V	92.7	Very high	82.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112.7	179.7	-173.3	0	0	0	0	108.6	I50 T51 Y64 V107 Y109	I50-V62 HydrophobicContact CG2-CG1 3.82Å; T51-V62 WeakPolarHBondContact O-CA 3.33Å; V62-Y64 HydrophobicContact CB-CE2 4.41Å; V62-Y64 HydrophobicContact CG1-CE1 4.36Å; V62-Y64 HydrophobicContact CG1-CE2 3.82Å; V62-V107 HydrophobicContact CB-CB 4.46Å; V62-V107 PolarHBondContact N-O 2.81Å; V62-V107 PolarHBondContact O-N 2.86Å; V62-Y109 HydrophobicContact CG2-CE2 4.16Å
63	Y	92.9	Very high	80.8	Confident	47 Å²	47	51.9 Å²	51.9	18%	0.184	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138	179.4	-177.8	-114.2	0	0	0	111.2	I50 T51 D65 T105 L106 L187	I50-Y63 VanDerWaalsContact CA-O 3.29Å; I50-Y63 WeakPolarHBondContact CA-O 3.3Å; T51-Y63 PolarHBondContact N-O 3.23Å; T51-Y63 PolarHBondContact O-N 2.79Å; Y63-D65 HydrophobicContact CD1-CB 4.26Å; Y63-D65 HydrophobicContact CE1-CB 3.69Å; Y63-T105 WeakPolarHBondContact CA-O 3.24Å; Y63-T105 WeakPolarHBondContact CD2-O 3.49Å; Y63-L106 HydrophobicContact CD2-CB 4.34Å; Y63-L106 HydrophobicContact CD2-CD1 4.25Å; Y63-L106 HydrophobicContact CG-CD1 4.47Å; Y63-L187 HydrophobicContact CD1-CD2 3.72Å; Y63-L187 HydrophobicContact CD1-CG 4.48Å; Y63-L187 HydrophobicContact CD2-CD1 4.35Å; Y63-L187 HydrophobicContact CG-CD1 4.26Å; Y63-L187 HydrophobicContact CG-CD2 3.71Å
64	Y	90.2	Very high	79.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.9	178.2	-59.4	-89.8	0	0	0	110	I50 V62 M67 F75 S77 V96 M101 S103 G104 T105 V107	I50-Y64 HydrophobicContact CD1-CD1 3.87Å; I50-Y64 HydrophobicContact CD1-CE1 3.81Å; I50-Y64 HydrophobicContact CG1-CD1 3.88Å; I50-Y64 HydrophobicContact CG1-CE1 4.24Å; I50-Y64 HydrophobicContact CG2-CE1 4.41Å; V62-Y64 HydrophobicContact CB-CE2 4.41Å; V62-Y64 HydrophobicContact CG1-CE1 4.36Å; V62-Y64 HydrophobicContact CG1-CE2 3.82Å; Y64-M67 HydrophobicContact CD1-SD 3.49Å; Y64-M67 WeakPolarHBondContact CD1-SD 3.39Å; Y64-M67 HydrophobicContact CE1-SD 4.24Å; Y64-M67 HydrophobicContact CG-SD 4.11Å; Y64-F75 HydrophobicContact CE1-CE1 4.46Å; Y64-S77 WeakPolarHBondContact OH-CB 3.14Å; Y64-S77 PolarHBondContact OH-OG 3.27Å; Y64-S77 VanDerWaalsContact OH-OG 3.11Å; Y64-V96 HydrophobicContact CE2-CG1 4.35Å; Y64-V96 VanDerWaalsContact OH-CG2 3.28Å; Y64-V96 WeakPolarHBondContact OH-CG2 3.4Å; Y64-M101 HydrophobicContact CE1-CB 4.36Å; Y64-M101 HydrophobicContact CE1-CG 4.11Å; Y64-S103 CarbonylContact O-C 3.6Å; Y64-S103 WeakPolarHBondContact O-CA 3.24Å; Y64-G104 PolarHBondContact O-N 3.37Å; Y64-T105 PolarHBondContact N-O 3.32Å; Y64-V107 HydrophobicContact CD2-CG2 4.49Å; Y64-V107 HydrophobicContact CE2-CG2 3.87Å
65	D	90	Very high	79.1	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.9	179.3	-173	34.1	0	0	0	111.7	F48 K49 Y63 M67	F48-D65 WeakPolarHBondContact CA-O 3.29Å; F48-D65 WeakPolarHBondContact CB-O 3.44Å; K49-D65 HydrophobicContact CB-CB 4.23Å; K49-D65 PolarHBondContact N-O 2.89Å; K49-D65 PolarHBondContact O-N 2.89Å; Y63-D65 HydrophobicContact CD1-CB 4.26Å; Y63-D65 HydrophobicContact CE1-CB 3.69Å; D65-M67 PolarHBondContact O-N 2.8Å
66	K	87.7	Confident	78.7	Confident	129 Å²	129	56.6 Å²	56.6	56%	0.561	31%	0.313	S	S	*	.	S	Bend	trans	52.3	23.6	-178.1	-60.9	174.3	-173.7	178.3	0	114.2	F48 T68 S103	F48-K66 WeakPolarHBondContact CB-O 3.46Å; K66-T68 PolarHBondContact O-N 2.97Å; K66-S103 WeakPolarHBondContact CA-OG 3.49Å; K66-S103 PolarHBondContact N-OG 2.85Å
67	M	81.3	Confident	78.6	Confident	27 Å²	27	51.9 Å²	51.9	13%	0.133	28%	0.283	C	S	.	.			trans	-78.4	108.5	178.4	-168.1	171.8	-167.6	0	0	109.8	Y64 D65 F75 M101 S103	Y64-M67 HydrophobicContact CD1-SD 3.49Å; Y64-M67 WeakPolarHBondContact CD1-SD 3.39Å; Y64-M67 HydrophobicContact CE1-SD 4.24Å; Y64-M67 HydrophobicContact CG-SD 4.11Å; D65-M67 PolarHBondContact O-N 2.8Å; M67-F75 HydrophobicContact CE-CB 4.09Å; M67-F75 HydrophobicContact CE-CD1 3.68Å; M67-F75 HydrophobicContact CE-CD2 4.46Å; M67-F75 HydrophobicContact CE-CE1 4.28Å; M67-F75 HydrophobicContact CE-CG 3.79Å; M67-M101 HydrophobicContact CE-CB 3.9Å; M67-M101 HydrophobicContact SD-CB 3.91Å; M67-S103 WeakPolarHBondContact O-CB 3.38Å; M67-S103 PolarHBondContact O-N 2.83Å
68	T	68.9	Low	78.8	Confident	57 Å²	57	50 Å²	50	35%	0.35	27%	0.268	S	S	.	.			trans	-84.7	123	175.6	51.1	0	0	0	0	110.1	K66 E70	K66-T68 PolarHBondContact O-N 2.97Å; T68-E70 PolarHBondContact O-N 2.86Å
69	Q	63.3	Low	79	Confident	126 Å²	126	49.1 Å²	49.1	59%	0.589	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	176.2	-168.6	172.7	3.1	0	0	112.1	I71 K102	Q69-I71 CarbonylContact O-C 3.51Å; Q69-I71 PolarHBondContact O-N 3.26Å; Q69-I71 VanDerWaalsContact O-N 3.08Å; Q69-K102 VanDerWaalsContact OE1-CE 3.29Å
70	E	52.4	Low	78.9	Confident	169 Å²	169	50.4 Å²	50.4	79%	0.79	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.1	-179	-67.1	-172.6	161	0	0	113.2	T68 G72	T68-E70 PolarHBondContact O-N 2.86Å; E70-G72 PolarHBondContact O-N 3.25Å
71	I	52	Low	78.5	Confident	60 Å²	60	50.2 Å²	50.2	31%	0.308	27%	0.27	S	S	.	.	S	Bend	trans	-91	97.4	177.3	-26.2	176.9	0	0	0	105.2	N39 Q69 L73	N39-I71 HydrophobicContact CB-CD1 4.49Å; N39-I71 WeakPolarHBondContact ND2-CD1 3.41Å; Q69-I71 CarbonylContact O-C 3.51Å; Q69-I71 PolarHBondContact O-N 3.26Å; Q69-I71 VanDerWaalsContact O-N 3.08Å; I71-L73 HydrophobicContact CB-CD1 3.93Å; I71-L73 HydrophobicContact CB-CD2 4.33Å; I71-L73 HydrophobicContact CB-CG 3.65Å; I71-L73 HydrophobicContact CD1-CD1 4.49Å; I71-L73 HydrophobicContact CG2-CD1 3.66Å; I71-L73 HydrophobicContact CG2-CD2 3.38Å; I71-L73 HydrophobicContact CG2-CG 3.25Å; I71-L73 PolarHBondContact O-N 3.04Å
72	G	54.2	Low	77.8	Confident	60 Å²	60	51.9 Å²	51.9	62%	0.619	28%	0.282	S	S	*	.			trans	-59.3	25.6	170.9	0	0	0	0	0	114	E70	E70-G72 PolarHBondContact O-N 3.25Å
73	L	61.3	Low	76.9	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.136	30%	0.3	C	S	.	.			trans	-51.7	136.3	176.3	-58.7	-179.3	0	0	0	108.8	H16 N39 I71 F75	H16-L73 HydrophobicContact CB-CD1 4.28Å; H16-L73 HydrophobicContact CB-CD2 3.51Å; H16-L73 HydrophobicContact CB-CG 4.38Å; N39-L73 WeakPolarHBondContact OD1-CD1 3.48Å; I71-L73 HydrophobicContact CB-CD1 3.93Å; I71-L73 HydrophobicContact CB-CD2 4.33Å; I71-L73 HydrophobicContact CB-CG 3.65Å; I71-L73 HydrophobicContact CD1-CD1 4.49Å; I71-L73 HydrophobicContact CG2-CD1 3.66Å; I71-L73 HydrophobicContact CG2-CD2 3.38Å; I71-L73 HydrophobicContact CG2-CG 3.25Å; I71-L73 PolarHBondContact O-N 3.04Å; L73-F75 PolarHBondContact O-N 3.01Å
74	P	69.4	Low	76.1	Confident	69 Å²	69	55.7 Å²	55.7	45%	0.448	31%	0.312	S	S	.	.			trans	-68	82.9	163.9	30.1	-32.1	0	0	0	107	S14	S14-P74 WeakPolarHBondContact CA-O 3.17Å; S14-P74 VanDerWaalsContact CB-O 3.3Å; S14-P74 WeakPolarHBondContact CB-O 3.21Å; S14-P74 PolarHBondContact OG-O 3.28Å
75	F	78.7	Confident	75.3	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.079	32%	0.319	C	S	.	.			trans	-95.4	130.6	172	-163.5	-89.6	0	0	0	108.6	F37 F48 I50 Y64 M67 L73 M101	F37-F75 HydrophobicContact CE2-CZ 4.44Å; F48-F75 HydrophobicContact CE2-CD2 4.32Å; F48-F75 AromaticContact CE2-CE2 3.73Å; F48-F75 HydrophobicContact CE2-CE2 3.73Å; F48-F75 HydrophobicContact CE2-CZ 4.12Å; F48-F75 HydrophobicContact CZ-CD2 4.16Å; F48-F75 AromaticContact CZ-CE2 3.79Å; F48-F75 HydrophobicContact CZ-CE2 3.79Å; I50-F75 HydrophobicContact CD1-CE1 3.39Å; I50-F75 HydrophobicContact CD1-CE2 4.27Å; I50-F75 HydrophobicContact CD1-CZ 3.17Å; Y64-F75 HydrophobicContact CE1-CE1 4.46Å; M67-F75 HydrophobicContact CE-CB 4.09Å; M67-F75 HydrophobicContact CE-CD1 3.68Å; M67-F75 HydrophobicContact CE-CD2 4.46Å; M67-F75 HydrophobicContact CE-CE1 4.28Å; M67-F75 HydrophobicContact CE-CG 3.79Å; L73-F75 PolarHBondContact O-N 3.01Å; F75-M101 HydrophobicContact CD1-SD 4.01Å
76	Q	83.1	Confident	74.5	Confident	73 Å²	73	57.7 Å²	57.7	34%	0.341	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.1	176	-61.8	-164.9	12.9	0	0	109.7	S12 Y13	S12-Q76 CarbonylContact C-O 3.51Å; S12-Q76 WeakPolarHBondContact CA-O 3.06Å; Y13-Q76 HydrophobicContact CD1-CB 4.18Å; Y13-Q76 HydrophobicContact CE1-CB 3.75Å; Y13-Q76 HydrophobicContact CE2-CB 4.31Å; Y13-Q76 HydrophobicContact CE2-CG 4.47Å; Y13-Q76 PolarHBondContact N-O 2.78Å; Y13-Q76 PolarHBondContact O-N 3.36Å; Y13-Q76 PolarHBondContact OH-OE1 2.79Å
77	S	87.9	Confident	73.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.7	167.2	179.5	0	0	0	0	108.1	S11 S12 Y64 S95 V96	S11-S77 WeakPolarHBondContact O-CA 3.26Å; S12-S77 PolarHBondContact OG-OG 3.21Å; Y64-S77 WeakPolarHBondContact OH-CB 3.14Å; Y64-S77 PolarHBondContact OH-OG 3.27Å; Y64-S77 VanDerWaalsContact OH-OG 3.11Å; S77-S95 CarbonylContact O-C 3.57Å; S77-S95 VanDerWaalsContact O-CA 3.22Å; S77-S95 WeakPolarHBondContact O-CA 3.28Å; S77-S95 WeakPolarHBondContact O-CB 3.49Å; S77-V96 PolarHBondContact O-N 2.92Å
78	R	88.3	Confident	73.8	Confident	63 Å²	63	56.3 Å²	56.3	24%	0.238	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133	-169.7	-171.9	-175.7	-67	165.8	5.4	110.8	S11 Y13 S80 Y93 T94	S11-R78 PolarHBondContact N-O 3.4Å; S11-R78 PolarHBondContact O-N 3.26Å; S11-R78 PolarHBondContact OG-O 3.49Å; Y13-R78 PolarHBondContact OH-NH2 2.74Å; Y13-R78 VanDerWaalsContact OH-NH2 3.07Å; R78-S80 VanDerWaalsContact CD-OG 3.24Å; R78-S80 WeakPolarHBondContact CD-OG 3.17Å; R78-S80 WeakPolarHBondContact CG-OG 3.26Å; R78-Y93 HydrophobicContact CG-CD2 4.43Å; R78-T94 CarbonylContact C-O 3.6Å; R78-T94 VanDerWaalsContact CA-O 3.29Å; R78-T94 WeakPolarHBondContact CA-O 3.22Å; R78-T94 VanDerWaalsContact CG-O 3.32Å; R78-T94 WeakPolarHBondContact CG-O 3.32Å
79	L	89.1	Confident	74.2	Confident	20 Å²	20	58.9 Å²	58.9	11%	0.105	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.1	160	-61.1	95.2	0	0	0	108.1	S9 I10 I60 Y93 T94 Y109	S9-L79 CarbonylContact O-C 3.52Å; S9-L79 WeakPolarHBondContact O-CA 3.49Å; I10-L79 HydrophobicContact CD1-CD2 4.42Å; I10-L79 HydrophobicContact CG1-CD2 4.1Å; I10-L79 HydrophobicContact CG1-CG 4.28Å; I10-L79 HydrophobicContact CG2-CG 4.43Å; I60-L79 HydrophobicContact CB-CD2 4.31Å; I60-L79 HydrophobicContact CD1-CD2 3.66Å; I60-L79 HydrophobicContact CG2-CD2 3.91Å; L79-Y93 CarbonylContact O-C 3.52Å; L79-Y93 WeakPolarHBondContact O-CA 3.26Å; L79-Y93 WeakPolarHBondContact O-CB 3.14Å; L79-T94 HydrophobicContact CB-CG2 3.94Å; L79-T94 HydrophobicContact CD1-CG2 4.04Å; L79-T94 PolarHBondContact N-O 2.8Å; L79-T94 PolarHBondContact O-N 3.31Å; L79-Y109 HydrophobicContact CD1-CD1 4.04Å; L79-Y109 HydrophobicContact CD1-CD2 3.78Å; L79-Y109 HydrophobicContact CD1-CE1 3.52Å; L79-Y109 HydrophobicContact CD1-CE2 3.27Å; L79-Y109 HydrophobicContact CD1-CG 4.13Å; L79-Y109 WeakPolarHBondContact CD1-OH 3.38Å; L79-Y109 HydrophobicContact CD2-CD2 4.33Å; L79-Y109 HydrophobicContact CD2-CG 4.39Å
80	S	88	Confident	74.9	Confident	40 Å²	40	58.3 Å²	58.3	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141	-179.9	-59.7	0	0	0	0	110.2	G8 S9 R78 L92 Y93	G8-S80 CarbonylContact C-O 3.56Å; G8-S80 WeakPolarHBondContact CA-O 3.14Å; S9-S80 PolarHBondContact N-O 3.41Å; S9-S80 PolarHBondContact O-N 3.44Å; R78-S80 VanDerWaalsContact CD-OG 3.24Å; R78-S80 WeakPolarHBondContact CD-OG 3.17Å; R78-S80 WeakPolarHBondContact CG-OG 3.26Å; S80-L92 CarbonylContact C-O 3.54Å; S80-L92 VanDerWaalsContact CA-O 3.24Å; S80-L92 WeakPolarHBondContact CA-O 3.22Å; S80-Y93 WeakPolarHBondContact OG-CB 3.33Å
81	G	85.2	Confident	76.2	Confident	27 Å²	27	58.6 Å²	58.6	28%	0.278	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.6	176	0	0	0	0	0	110.8	K91 L92	G81-K91 WeakPolarHBondContact O-CA 3.04Å; G81-L92 PolarHBondContact N-O 2.68Å; G81-L92 PolarHBondContact O-N 2.83Å
82	S	76.4	Confident	77.6	Confident	36 Å²	36	59.1 Å²	59.1	25%	0.252	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.1	171.6	54.1	0	0	0	0	109.9	K6 L7 R90	K6-S82 PolarHBondContact O-OG 3.46Å; L7-S82 PolarHBondContact O-N 3.05Å; S82-R90 CarbonylContact C-O 3.53Å; S82-R90 VanDerWaalsContact CA-O 3.3Å; S82-R90 WeakPolarHBondContact CA-O 3.49Å
83	L	75.6	Confident	79.1	Confident	74 Å²	74	60.8 Å²	60.8	39%	0.387	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.2	175.5	-172.9	67.7	0	0	0	109.2	C85 E89 R90 L92	L83-C85 PolarHBondContact O-N 2.89Å; L83-E89 CarbonylContact O-C 3.44Å; L83-E89 WeakPolarHBondContact O-CA 3.02Å; L83-R90 PolarHBondContact N-O 2.96Å; L83-R90 PolarHBondContact O-N 2.85Å; L83-L92 HydrophobicContact CB-CD1 4.48Å
84	A	74.3	Confident	80.3	Confident	53 Å²	53	60 Å²	60	44%	0.438	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.5	172	0	0	0	0	0	109.7	C246	A84-C246 PolarHBondContact O-SG 2.83Å
85	C	74	Confident	81.1	Confident	19 Å²	19	58.3 Å²	58.3	13%	0.128	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	163.6	-179.4	-66	0	0	0	0	112.2	L83 G87 G88 R90 C246	L83-C85 PolarHBondContact O-N 2.89Å; C85-G87 PolarHBondContact O-N 3.11Å; C85-G88 CarbonylContact C-O 3.57Å; C85-G88 WeakPolarHBondContact CA-O 3.48Å; C85-G88 WeakPolarHBondContact CB-O 3.22Å; C85-G88 PolarHBondContact N-O 2.87Å; C85-G88 PolarHBondContact O-N 2.92Å; C85-R90 HydrophobicContact CB-CG 4.22Å; C85-C246 WeakPolarHBondContact CA-SG 3.35Å; C85-C246 HydrophobicContact CB-CB 3.47Å; C85-C246 VanDerWaalsContact CB-CB 3.47Å; C85-C246 WeakPolarHBondContact CB-SG 3.48Å; C85-C246 WeakPolarHBondContact SG-CB 3.38Å; C85-C246 CovalentContact SG-SG 2.04Å; C85-C246 PolarHBondContact SG-SG 2.86Å
86	D	74.4	Confident	81.5	Confident	65 Å²	65	57.7 Å²	57.7	35%	0.348	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	122	168.6	-155.4	18.2	0	0	0	107.8
87	G	75.2	Confident	81.5	Confident	88 Å²	88	57.9 Å²	57.9	91%	0.907	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	0.9	-171	0	0	0	0	0	116.5	C85	C85-G87 PolarHBondContact O-N 3.11Å
88	G	78.3	Confident	81.3	Confident	39 Å²	39	64 Å²	64	40%	0.402	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-168.8	170	0	0	0	0	0	115.4	C85	C85-G88 CarbonylContact C-O 3.57Å; C85-G88 WeakPolarHBondContact CA-O 3.48Å; C85-G88 WeakPolarHBondContact CB-O 3.22Å; C85-G88 PolarHBondContact N-O 2.87Å; C85-G88 PolarHBondContact O-N 2.92Å
89	E	77.7	Confident	81	Confident	111 Å²	111	67 Å²	67	52%	0.519	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129	178.3	-62.8	-167.5	151.9	0	0	111.8	K5 L83	K5-E89 WeakPolarHBondContact CE-OE1 3.47Å; K5-E89 IonicContact NZ-OE1 2.67Å; K5-E89 PolarHBondContact NZ-OE1 2.78Å; L83-E89 CarbonylContact O-C 3.44Å; L83-E89 WeakPolarHBondContact O-CA 3.02Å
90	R	77.3	Confident	80.8	Confident	114 Å²	114	68.2 Å²	68.2	43%	0.43	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.3	170.2	-67.6	-171.3	-178.1	162.7	1.7	109.9	S82 L83 C85 C246	S82-R90 CarbonylContact C-O 3.53Å; S82-R90 VanDerWaalsContact CA-O 3.3Å; S82-R90 WeakPolarHBondContact CA-O 3.49Å; L83-R90 PolarHBondContact N-O 2.96Å; L83-R90 PolarHBondContact O-N 2.85Å; C85-R90 HydrophobicContact CB-CG 4.22Å; R90-C246 PolarHBondContact NH1-O 3.03Å
91	K	80.8	Confident	80.7	Confident	176 Å²	176	66.9 Å²	66.9	77%	0.765	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	131.1	174.7	-66.3	176.4	-176.4	171.1	0	109	G81	G81-K91 WeakPolarHBondContact O-CA 3.04Å
92	L	81.5	Confident	80.8	Confident	71 Å²	71	70 Å²	70	37%	0.372	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.9	176.7	-65.4	164	0	0	0	107.6	S80 G81 L83	S80-L92 CarbonylContact C-O 3.54Å; S80-L92 VanDerWaalsContact CA-O 3.24Å; S80-L92 WeakPolarHBondContact CA-O 3.22Å; G81-L92 PolarHBondContact N-O 2.68Å; G81-L92 PolarHBondContact O-N 2.83Å; L83-L92 HydrophobicContact CB-CD1 4.48Å
93	Y	85.3	Confident	81.5	Confident	95 Å²	95	71.1 Å²	71.1	37%	0.373	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.3	172	64.8	-89.1	0	0	0	111.7	R78 L79 S80	R78-Y93 HydrophobicContact CG-CD2 4.43Å; L79-Y93 CarbonylContact O-C 3.52Å; L79-Y93 WeakPolarHBondContact O-CA 3.26Å; L79-Y93 WeakPolarHBondContact O-CB 3.14Å; S80-Y93 WeakPolarHBondContact OG-CB 3.33Å
94	T	85.7	Confident	82.1	Confident	10 Å²	10	70 Å²	70	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.6	166.3	177.6	0	0	0	0	108.4	R78 L79 Y109 I167	R78-T94 CarbonylContact C-O 3.6Å; R78-T94 VanDerWaalsContact CA-O 3.29Å; R78-T94 WeakPolarHBondContact CA-O 3.22Å; R78-T94 VanDerWaalsContact CG-O 3.32Å; R78-T94 WeakPolarHBondContact CG-O 3.32Å; L79-T94 HydrophobicContact CB-CG2 3.94Å; L79-T94 HydrophobicContact CD1-CG2 4.04Å; L79-T94 PolarHBondContact N-O 2.8Å; L79-T94 PolarHBondContact O-N 3.31Å; T94-Y109 HydrophobicContact CG2-CD1 4.14Å; T94-Y109 HydrophobicContact CG2-CE1 3.53Å; T94-I167 WeakPolarHBondContact CB-O 3.42Å; T94-I167 PolarHBondContact OG1-O 3.18Å
95	S	87.1	Confident	82.9	Confident	32 Å²	32	69.2 Å²	69.2	22%	0.224	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.4	178.9	-54.5	0	0	0	0	109.8	S77	S77-S95 CarbonylContact O-C 3.57Å; S77-S95 VanDerWaalsContact O-CA 3.22Å; S77-S95 WeakPolarHBondContact O-CA 3.28Å; S77-S95 WeakPolarHBondContact O-CB 3.49Å
96	V	86.5	Confident	83.8	Confident	6 Å²	6	71.2 Å²	71.2	4%	0.036	38%	0.381	C	S	.	.			trans	-65.4	137	168.6	-179.9	0	0	0	0	107.9	Y64 S77 W100 M101 V107 Y109	Y64-V96 HydrophobicContact CE2-CG1 4.35Å; Y64-V96 VanDerWaalsContact OH-CG2 3.28Å; Y64-V96 WeakPolarHBondContact OH-CG2 3.4Å; S77-V96 PolarHBondContact O-N 2.92Å; V96-W100 HydrophobicContact CG1-CB 4.08Å; V96-W100 HydrophobicContact CG1-CE3 4.49Å; V96-M101 HydrophobicContact CB-CE 3.59Å; V96-M101 HydrophobicContact CB-CG 4.33Å; V96-M101 HydrophobicContact CG1-CE 4.05Å; V96-M101 HydrophobicContact CG1-CG 3.81Å; V96-M101 WeakPolarHBondContact O-CE 2.98Å; V96-V107 HydrophobicContact CG1-CG1 4.17Å; V96-V107 HydrophobicContact CG1-CG2 3.89Å; V96-V107 HydrophobicContact CG2-CB 4.45Å; V96-V107 HydrophobicContact CG2-CG1 3.92Å; V96-Y109 HydrophobicContact CG2-CE2 4.31Å; V96-Y109 WeakPolarHBondContact CG2-OH 3.3Å
97	F	83.5	Confident	84.6	Confident	76 Å²	76	68.4 Å²	68.4	33%	0.333	37%	0.366	S	S	.	.			trans	-69.3	136.4	173.8	-74.8	-86.9	0	0	0	109.7	K99 W100 K149 V168	F97-K99 HydrophobicContact CB-CG 4.14Å; F97-K99 PolarHBondContact O-N 3.43Å; F97-W100 HydrophobicContact CB-CD2 4.24Å; F97-W100 HydrophobicContact CB-CE3 4.04Å; F97-W100 HydrophobicContact CB-CZ3 4.47Å; F97-W100 HydrophobicContact CD2-CE3 4.03Å; F97-W100 HydrophobicContact CD2-CH2 4.07Å; F97-W100 AromaticContact CD2-CZ3 3.61Å; F97-W100 HydrophobicContact CD2-CZ3 3.61Å; F97-W100 HydrophobicContact CE2-CZ3 4.41Å; F97-W100 HydrophobicContact CG-CZ3 4.48Å; F97-W100 PolarHBondContact O-N 2.71Å; F97-K149 VanDerWaalsContact CD2-NZ 3.27Å; F97-K149 VanDerWaalsContact CZ-NZ 3.31Å; F97-V168 HydrophobicContact CE2-CG1 4.41Å
98	K	82.6	Confident	85.4	Confident	130 Å²	130	65.5 Å²	65.5	57%	0.565	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-51.1	-34	-179	-171.9	175.2	-178.5	177	0	113.3	W100 M101	K98-W100 PolarHBondContact O-N 2.91Å; K98-M101 PolarHBondContact O-N 3.43Å
99	K	83.4	Confident	86	Confident	125 Å²	125	64.7 Å²	64.7	54%	0.543	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.1	-21.7	178.2	69	176.7	-177.6	177.6	0	114.6	F97 K102	F97-K99 HydrophobicContact CB-CG 4.14Å; F97-K99 PolarHBondContact O-N 3.43Å; K99-K102 VanDerWaalsContact O-CE 3.26Å; K99-K102 WeakPolarHBondContact O-CE 3.48Å
100	W	84.8	Confident	86.3	Confident	46 Å²	46	64.1 Å²	64.1	17%	0.174	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-98.3	-8.3	178.6	-59.9	-31	0	0	0	113.1	V96 F97 K98 K102 T105 V107 V169	V96-W100 HydrophobicContact CG1-CB 4.08Å; V96-W100 HydrophobicContact CG1-CE3 4.49Å; F97-W100 HydrophobicContact CB-CD2 4.24Å; F97-W100 HydrophobicContact CB-CE3 4.04Å; F97-W100 HydrophobicContact CB-CZ3 4.47Å; F97-W100 HydrophobicContact CD2-CE3 4.03Å; F97-W100 HydrophobicContact CD2-CH2 4.07Å; F97-W100 AromaticContact CD2-CZ3 3.61Å; F97-W100 HydrophobicContact CD2-CZ3 3.61Å; F97-W100 HydrophobicContact CE2-CZ3 4.41Å; F97-W100 HydrophobicContact CG-CZ3 4.48Å; F97-W100 PolarHBondContact O-N 2.71Å; K98-W100 PolarHBondContact O-N 2.91Å; W100-K102 PolarHBondContact O-N 3.36Å; W100-T105 HydrophobicContact CB-CG2 4.43Å; W100-T105 VanDerWaalsContact O-CB 3.22Å; W100-T105 WeakPolarHBondContact O-CB 3.42Å; W100-T105 WeakPolarHBondContact O-CG2 3.41Å; W100-T105 PolarHBondContact O-OG1 2.89Å; W100-V107 HydrophobicContact CB-CG2 4.22Å; W100-V169 HydrophobicContact CH2-CB 4.34Å; W100-V169 HydrophobicContact CZ3-CB 3.72Å; W100-V169 HydrophobicContact CZ3-CG2 3.97Å
101	M	85.6	Confident	86.4	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.059	32%	0.324	C	S	.	.			trans	-82.8	68.9	176.7	-61.3	175.1	-176.3	0	0	110.2	Y64 M67 F75 V96 K98	Y64-M101 HydrophobicContact CE1-CB 4.36Å; Y64-M101 HydrophobicContact CE1-CG 4.11Å; M67-M101 HydrophobicContact CE-CB 3.9Å; M67-M101 HydrophobicContact SD-CB 3.91Å; F75-M101 HydrophobicContact CD1-SD 4.01Å; V96-M101 HydrophobicContact CB-CE 3.59Å; V96-M101 HydrophobicContact CB-CG 4.33Å; V96-M101 HydrophobicContact CG1-CE 4.05Å; V96-M101 HydrophobicContact CG1-CG 3.81Å; V96-M101 WeakPolarHBondContact O-CE 2.98Å; K98-M101 PolarHBondContact O-N 3.43Å
102	K	86.9	Confident	85.9	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	31%	0.308	S	S	.	.	S	Bend	trans	-124.9	149.8	178.9	-61.2	179.6	-179.1	-178.3	0	109.9	Q69 K99 W100 G104 T105	Q69-K102 VanDerWaalsContact OE1-CE 3.29Å; K99-K102 VanDerWaalsContact O-CE 3.26Å; K99-K102 WeakPolarHBondContact O-CE 3.48Å; W100-K102 PolarHBondContact O-N 3.36Å; K102-G104 PolarHBondContact O-N 3.34Å; K102-T105 VanDerWaalsContact O-CB 3.23Å; K102-T105 WeakPolarHBondContact O-CB 3Å; K102-T105 PolarHBondContact O-N 2.82Å; K102-T105 PolarHBondContact O-OG1 3.38Å
103	S	90.1	Very high	85.4	Confident	61 Å²	61	57 Å²	57	43%	0.427	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	134.5	173.5	-166.6	0	0	0	0	111.2	Y64 K66 M67 T105	Y64-S103 CarbonylContact O-C 3.6Å; Y64-S103 WeakPolarHBondContact O-CA 3.24Å; K66-S103 WeakPolarHBondContact CA-OG 3.49Å; K66-S103 PolarHBondContact N-OG 2.85Å; M67-S103 WeakPolarHBondContact O-CB 3.38Å; M67-S103 PolarHBondContact O-N 2.83Å; S103-T105 VanDerWaalsContact C-N 3.31Å
104	G	89.6	Confident	84.9	Confident	49 Å²	49	59 Å²	59	51%	0.505	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	3.9	-177.7	0	0	0	0	0	114.8	Y64 K102	Y64-G104 PolarHBondContact O-N 3.37Å; K102-G104 PolarHBondContact O-N 3.34Å
105	T	91.2	Very high	84.5	Confident	37 Å²	37	59.1 Å²	59.1	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.7	179	-50.1	0	0	0	0	111.2	Y63 Y64 W100 K102 S103 V107	Y63-T105 WeakPolarHBondContact CA-O 3.24Å; Y63-T105 WeakPolarHBondContact CD2-O 3.49Å; Y64-T105 PolarHBondContact N-O 3.32Å; W100-T105 HydrophobicContact CB-CG2 4.43Å; W100-T105 VanDerWaalsContact O-CB 3.22Å; W100-T105 WeakPolarHBondContact O-CB 3.42Å; W100-T105 WeakPolarHBondContact O-CG2 3.41Å; W100-T105 PolarHBondContact O-OG1 2.89Å; K102-T105 VanDerWaalsContact O-CB 3.23Å; K102-T105 WeakPolarHBondContact O-CB 3Å; K102-T105 PolarHBondContact O-N 2.82Å; K102-T105 PolarHBondContact O-OG1 3.38Å; S103-T105 VanDerWaalsContact C-N 3.31Å; T105-V107 HydrophobicContact CG2-CG2 4.07Å
106	L	93	Very high	84	Confident	62 Å²	62	59.3 Å²	59.3	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.3	168.6	-172.4	70.3	0	0	0	108.9	Y63 E108	Y63-L106 HydrophobicContact CD2-CB 4.34Å; Y63-L106 HydrophobicContact CD2-CD1 4.25Å; Y63-L106 HydrophobicContact CG-CD1 4.47Å; L106-E108 HydrophobicContact CD2-CG 4Å; L106-E108 HydrophobicContact CG-CG 3.93Å
107	V	91.6	Very high	83.4	Confident	6 Å²	6	67 Å²	67	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.2	179.5	-177.9	0	0	0	0	108	S61 V62 Y64 V96 W100 T105 Y109 V169	S61-V107 CarbonylContact C-O 3.58Å; S61-V107 WeakPolarHBondContact CA-O 3.32Å; V62-V107 HydrophobicContact CB-CB 4.46Å; V62-V107 PolarHBondContact N-O 2.81Å; V62-V107 PolarHBondContact O-N 2.86Å; Y64-V107 HydrophobicContact CD2-CG2 4.49Å; Y64-V107 HydrophobicContact CE2-CG2 3.87Å; V96-V107 HydrophobicContact CG1-CG1 4.17Å; V96-V107 HydrophobicContact CG1-CG2 3.89Å; V96-V107 HydrophobicContact CG2-CB 4.45Å; V96-V107 HydrophobicContact CG2-CG1 3.92Å; W100-V107 HydrophobicContact CB-CG2 4.22Å; T105-V107 HydrophobicContact CG2-CG2 4.07Å; V107-Y109 HydrophobicContact CG1-CE2 3.9Å; V107-V169 HydrophobicContact CG1-CB 4.15Å; V107-V169 HydrophobicContact CG1-CG1 3.38Å; V107-V169 HydrophobicContact CG1-CG2 3.96Å
108	E	91.9	Very high	83.2	Confident	27 Å²	27	65.8 Å²	65.8	13%	0.126	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.2	-169.6	-57.2	-160.2	107.5	0	0	111.9	K59 I60 S61 L106 V169	K59-E108 WeakPolarHBondContact CE-OE1 3.29Å; K59-E108 WeakPolarHBondContact CE-OE2 3.16Å; K59-E108 IonicContact NZ-OE1 2.77Å; K59-E108 PolarHBondContact NZ-OE1 2.87Å; K59-E108 IonicContact NZ-OE2 2.74Å; K59-E108 PolarHBondContact NZ-OE2 2.87Å; I60-E108 CarbonylContact O-C 3.56Å; S61-E108 PolarHBondContact OG-OE1 2.91Å; L106-E108 HydrophobicContact CD2-CG 4Å; L106-E108 HydrophobicContact CG-CG 3.93Å; E108-V169 WeakPolarHBondContact O-CG1 3.13Å
109	Y	89.7	Confident	83	Confident	21 Å²	21	66.4 Å²	66.4	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.2	177.4	-64.2	-96.4	0	0	0	108.5	K59 I60 V62 L79 T94 V96 V107 V169	K59-Y109 WeakPolarHBondContact CA-O 2.96Å; I60-Y109 PolarHBondContact N-O 3.08Å; I60-Y109 PolarHBondContact O-N 3.19Å; V62-Y109 HydrophobicContact CG2-CE2 4.16Å; L79-Y109 HydrophobicContact CD1-CD1 4.04Å; L79-Y109 HydrophobicContact CD1-CD2 3.78Å; L79-Y109 HydrophobicContact CD1-CE1 3.52Å; L79-Y109 HydrophobicContact CD1-CE2 3.27Å; L79-Y109 HydrophobicContact CD1-CG 4.13Å; L79-Y109 WeakPolarHBondContact CD1-OH 3.38Å; L79-Y109 HydrophobicContact CD2-CD2 4.33Å; L79-Y109 HydrophobicContact CD2-CG 4.39Å; T94-Y109 HydrophobicContact CG2-CD1 4.14Å; T94-Y109 HydrophobicContact CG2-CE1 3.53Å; V96-Y109 HydrophobicContact CG2-CE2 4.31Å; V96-Y109 WeakPolarHBondContact CG2-OH 3.3Å; V107-Y109 HydrophobicContact CG1-CE2 3.9Å; Y109-V169 HydrophobicContact CD1-CG2 4.04Å; Y109-V169 HydrophobicContact CE1-CB 4.33Å; Y109-V169 HydrophobicContact CE1-CG1 4.49Å; Y109-V169 HydrophobicContact CE1-CG2 3.3Å; Y109-V169 HydrophobicContact CE2-CG1 4.5Å; Y109-V169 HydrophobicContact CE2-CG2 4.17Å; Y109-V169 WeakPolarHBondContact OH-CG2 3.45Å
110	E	84.9	Confident	82.9	Confident	100 Å²	100	63.1 Å²	63.1	47%	0.467	35%	0.347	S	S	.	.			trans	-125.1	151.9	174.1	-174.5	164.8	-174.1	0	0	109.3	S112	E110-S112 PolarHBondContact O-N 2.95Å
111	V	78.3	Confident	83	Confident	118 Å²	118	62.5 Å²	62.5	72%	0.715	35%	0.351	S	S	*	.			trans	-80.4	107.9	174.2	-178.7	0	0	0	0	107.2	G113	V111-G113 PolarHBondContact O-N 2.76Å
112	S	70.2	Confident	83	Confident	59 Å²	59	68.5 Å²	68.5	41%	0.413	38%	0.379	S	S	.	.			trans	-65.7	10.7	-179	-47.5	0	0	0	0	115	E110	E110-S112 PolarHBondContact O-N 2.95Å
113	G	71.9	Confident	82.9	Confident	34 Å²	34	70.4 Å²	70.4	35%	0.351	39%	0.388	S	S	.	.			trans	71.3	177.7	-174.8	0	0	0	0	0	113.5	V111 V145	V111-G113 PolarHBondContact O-N 2.76Å; G113-V145 WeakPolarHBondContact O-CG2 3.36Å
114	D	74.1	Confident	82.7	Confident	138 Å²	138	67.5 Å²	67.5	74%	0.738	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-101.6	133.3	179.6	-69.9	-39.8	0	0	0	111.4	R132	D114-R132 PolarHBondContact O-NH1 2.86Å; D114-R132 PolarHBondContact O-NH2 2.94Å
115	C	78.5	Confident	82.3	Confident	12 Å²	12	71.3 Å²	71.3	8%	0.081	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-72.5	149.6	162.7	-74.3	0	0	0	0	110.5	C134 C143 I144 V145	C115-C134 HydrophobicContact CB-CB 3.97Å; C115-C134 WeakPolarHBondContact CB-SG 3.35Å; C115-C134 VanDerWaalsContact SG-CA 3.58Å; C115-C134 WeakPolarHBondContact SG-CB 3.36Å; C115-C134 CovalentContact SG-SG 2.04Å; C115-C134 PolarHBondContact SG-SG 3.27Å; C115-C143 HydrophobicContact CB-CB 4.21Å; C115-I144 PolarHBondContact SG-O 2.91Å; C115-I144 VanDerWaalsContact SG-O 3.35Å; C115-V145 VanDerWaalsContact SG-CG2 3.58Å; C115-V145 PolarHBondContact SG-N 3.17Å; C115-V145 VanDerWaalsContact SG-N 3.43Å
116	P	75.4	Confident	81.8	Confident	36 Å²	36	75.5 Å²	75.5	23%	0.234	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.2	143.5	176.7	-12.2	23.8	0	0	0	110.6	H118 F127 C143	P116-H118 WeakPolarHBondContact CB-NE2 3Å; P116-H118 PolarHBondContact O-N 2.94Å; P116-F127 HydrophobicContact CG-CD1 3.63Å; P116-F127 HydrophobicContact CG-CD2 4.27Å; P116-F127 HydrophobicContact CG-CE1 3.26Å; P116-F127 HydrophobicContact CG-CE2 4Å; P116-F127 HydrophobicContact CG-CG 4.1Å; P116-F127 HydrophobicContact CG-CZ 3.48Å; P116-F127 VanDerWaalsContact CG-CZ 3.48Å; P116-C143 WeakPolarHBondContact O-CB 3.37Å
117	K	74.8	Confident	80.9	Confident	166 Å²	166	76 Å²	76	72%	0.722	39%	0.393	S	S	*	.			trans	-76.2	77.7	179.6	-62.5	-175.5	-178.8	-174.1	0	110.3
118	H	78.6	Confident	80	Confident	51 Å²	51	85.1 Å²	85.1	24%	0.236	43%	0.432	C	S	.	.			trans	-83.1	147.1	170.6	-65.7	-56.6	0	0	0	110.6	P116 K123 C124 W136	P116-H118 WeakPolarHBondContact CB-NE2 3Å; P116-H118 PolarHBondContact O-N 2.94Å; H118-K123 HydrophobicContact CB-CB 3.95Å; H118-K123 PolarHBondContact CD2-O 3.36Å; H118-C124 HydrophobicContact CB-CB 4.46Å; H118-W136 WeakPolarHBondContact O-CZ3 3.44Å
119	K	77.6	Confident	78.8	Confident	143 Å²	143	85.3 Å²	85.3	62%	0.622	44%	0.435	S	S	*	.	S	Bend	trans	-92.3	-5.3	177.6	-64.6	-168.1	175.7	-158.7	0	113.4	S251	K119-S251 WeakPolarHBondContact CE-OXT 3.4Å; K119-S251 VanDerWaalsContact NZ-C 3.32Å; K119-S251 PolarHBondContact NZ-OXT 3.29Å
120	T	83.2	Confident	77.8	Confident	57 Å²	57	89.6 Å²	89.6	35%	0.35	47%	0.465	S	S	.	.	S	Bend	trans	-135.1	146.1	-174.8	62.9	0	0	0	0	110.6	E122 K123 C124	T120-E122 PolarHBondContact O-N 2.74Å; T120-K123 PolarHBondContact O-N 2.88Å; T120-K123 WeakPolarHBondContact OG1-CG 3.02Å; T120-C124 PolarHBondContact O-N 3.22Å
121	A	85.4	Confident	77	Confident	32 Å²	32	93.1 Å²	93.1	26%	0.264	49%	0.487	S	S	.	.	H	α-helix	trans	-58.6	-46.1	179.9	0	0	0	0	0	112.2	K123 C124 Q125 W136	A121-K123 PolarHBondContact O-N 3.04Å; A121-C124 WeakPolarHBondContact O-CB 3.33Å; A121-C124 PolarHBondContact O-N 3.47Å; A121-C124 VanDerWaalsContact O-N 3.08Å; A121-Q125 WeakPolarHBondContact O-CG 3.31Å; A121-Q125 PolarHBondContact O-N 3.11Å; A121-W136 VanDerWaalsContact CA-CD2 3.46Å; A121-W136 HydrophobicContact CB-CB 4Å; A121-W136 VanDerWaalsContact CB-CD1 3.42Å; A121-W136 HydrophobicContact CB-CD2 3.84Å; A121-W136 HydrophobicContact CB-CG 3.48Å; A121-W136 VanDerWaalsContact CB-CG 3.48Å
122	E	85.9	Confident	76.9	Confident	139 Å²	139	91.5 Å²	91.5	65%	0.65	47%	0.468	S	S	*	.	H	α-helix	trans	-53.7	-52.5	179.9	-62.8	170.2	175.9	0	0	111.2	T120 C124 Q125 D126	T120-E122 PolarHBondContact O-N 2.74Å; E122-C124 VanDerWaalsContact C-N 3.27Å; E122-C124 PolarHBondContact O-N 3.12Å; E122-Q125 PolarHBondContact O-N 3.21Å; E122-D126 WeakPolarHBondContact O-CB 3.36Å; E122-D126 VanDerWaalsContact O-CG 3.27Å; E122-D126 PolarHBondContact O-N 3Å
123	K	86.1	Confident	77.5	Confident	131 Å²	131	95.8 Å²	95.8	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-64.2	-32.4	179.9	-70.6	-177.5	179.8	-179.7	0	112.9	H118 T120 A121 F127	H118-K123 HydrophobicContact CB-CB 3.95Å; H118-K123 PolarHBondContact CD2-O 3.36Å; T120-K123 PolarHBondContact O-N 2.88Å; T120-K123 WeakPolarHBondContact OG1-CG 3.02Å; A121-K123 PolarHBondContact O-N 3.04Å; K123-F127 WeakPolarHBondContact O-CB 3.18Å
124	C	85.2	Confident	78	Confident	0 Å²	0	94.6 Å²	94.6	0%	0	47%	0.465	C	S	.	.	H	α-helix	trans	-69.7	-42.4	175.8	177.4	0	0	0	0	112.1	H118 T120 A121 E122 M135 W136 C143	H118-C124 HydrophobicContact CB-CB 4.46Å; T120-C124 PolarHBondContact O-N 3.22Å; A121-C124 WeakPolarHBondContact O-CB 3.33Å; A121-C124 PolarHBondContact O-N 3.47Å; A121-C124 VanDerWaalsContact O-N 3.08Å; E122-C124 VanDerWaalsContact C-N 3.27Å; E122-C124 PolarHBondContact O-N 3.12Å; C124-M135 PolarHBondContact SG-O 2.82Å; C124-W136 HydrophobicContact CB-CB 4.41Å; C124-W136 HydrophobicContact CB-CE3 3.67Å; C124-W136 HydrophobicContact CB-CZ3 4.35Å; C124-C143 VanDerWaalsContact CA-SG 3.56Å; C124-C143 HydrophobicContact CB-CB 3.7Å; C124-C143 WeakPolarHBondContact CB-SG 3.46Å; C124-C143 WeakPolarHBondContact SG-CA 3.3Å; C124-C143 WeakPolarHBondContact SG-CB 3.41Å; C124-C143 CovalentContact SG-SG 2.03Å; C124-C143 PolarHBondContact SG-SG 3.18Å
125	Q	81.8	Confident	78.5	Confident	129 Å²	129	90.3 Å²	90.3	60%	0.603	44%	0.442	S	S	*	.	H	α-helix	trans	-76.7	-37.4	-176.9	-69.9	177.5	-4.1	0	0	112.7	A121 E122 F127	A121-Q125 WeakPolarHBondContact O-CG 3.31Å; A121-Q125 PolarHBondContact O-N 3.11Å; E122-Q125 PolarHBondContact O-N 3.21Å; Q125-F127 PolarHBondContact O-N 2.77Å
126	D	79.9	Confident	78.9	Confident	125 Å²	125	91.8 Å²	91.8	67%	0.668	45%	0.446	S	S	*	.	H	α-helix	trans	-72.3	-17.3	178.9	-70.3	-23	0	0	0	112.7	E122 K128	E122-D126 WeakPolarHBondContact O-CB 3.36Å; E122-D126 VanDerWaalsContact O-CG 3.27Å; E122-D126 PolarHBondContact O-N 3Å; D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.15Å
127	F	75.1	Confident	79.2	Confident	73 Å²	73	94.2 Å²	94.2	32%	0.32	45%	0.451	S	S	.	.			trans	-72.7	110.3	-177.7	-174.7	-104.1	0	0	0	111.4	P116 K123 Q125 T129	P116-F127 HydrophobicContact CG-CD1 3.63Å; P116-F127 HydrophobicContact CG-CD2 4.27Å; P116-F127 HydrophobicContact CG-CE1 3.26Å; P116-F127 HydrophobicContact CG-CE2 4Å; P116-F127 HydrophobicContact CG-CG 4.1Å; P116-F127 HydrophobicContact CG-CZ 3.48Å; P116-F127 VanDerWaalsContact CG-CZ 3.48Å; K123-F127 WeakPolarHBondContact O-CB 3.18Å; Q125-F127 PolarHBondContact O-N 2.77Å; F127-T129 HydrophobicContact CD1-CG2 4.17Å; F127-T129 HydrophobicContact CE1-CG2 3.18Å; F127-T129 HydrophobicContact CZ-CG2 3.5Å
128	K	71.4	Confident	79.5	Confident	197 Å²	197	94 Å²	94	86%	0.857	45%	0.452	S	S	*	.			trans	-92.4	116.2	173.5	-64.5	-177.5	-177.3	179	0	109.6	D126	D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.15Å
129	T	67.5	Low	79.3	Confident	30 Å²	30	99.3 Å²	99.3	18%	0.184	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-108.2	141.7	163.3	20.4	0	0	0	0	111.4	F127 N131 R132	F127-T129 HydrophobicContact CD1-CG2 4.17Å; F127-T129 HydrophobicContact CE1-CG2 3.18Å; F127-T129 HydrophobicContact CZ-CG2 3.5Å; T129-N131 PolarHBondContact O-N 3.14Å; T129-R132 HydrophobicContact CG2-CG 4.44Å; T129-R132 WeakPolarHBondContact OG1-CG 3.35Å; T129-R132 PolarHBondContact OG1-NE 2.89Å; T129-R132 PolarHBondContact OG1-O 2.82Å
130	P	68	Low	79.1	Confident	111 Å²	111	94.2 Å²	94.2	72%	0.721	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	126.2	167.7	23.9	-29.3	0	0	0	108.1	R132	P130-R132 VanDerWaalsContact C-N 3.33Å; P130-R132 PolarHBondContact O-N 2.77Å
131	N	68.3	Low	79	Confident	174 Å²	174	94.8 Å²	94.8	93%	0.93	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.3	171.6	-44.8	-25.9	0	0	0	117.6	T129	T129-N131 PolarHBondContact O-N 3.14Å
132	R	76.6	Confident	78.9	Confident	85 Å²	85	95.3 Å²	95.3	32%	0.321	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-144.6	131.9	174.6	71.2	-168.8	-176.5	169.8	5.3	111.2	D114 T129 P130	D114-R132 PolarHBondContact O-NH1 2.86Å; D114-R132 PolarHBondContact O-NH2 2.94Å; T129-R132 HydrophobicContact CG2-CG 4.44Å; T129-R132 WeakPolarHBondContact OG1-CG 3.35Å; T129-R132 PolarHBondContact OG1-NE 2.89Å; T129-R132 PolarHBondContact OG1-O 2.82Å; P130-R132 VanDerWaalsContact C-N 3.33Å; P130-R132 PolarHBondContact O-N 2.77Å
133	K	81.4	Confident	78.7	Confident	149 Å²	149	89.4 Å²	89.4	65%	0.648	44%	0.44	S	S	*	.			trans	-99.3	131	175.5	-178.8	-179.9	-175.8	-176.7	0	107.9	S146	K133-S146 WeakPolarHBondContact CB-OG 3.32Å; K133-S146 VanDerWaalsContact CG-OG 3.31Å; K133-S146 WeakPolarHBondContact CG-OG 2.98Å; K133-S146 PolarHBondContact O-N 3.21Å; K133-S146 PolarHBondContact O-OG 2.57Å
134	C	83.1	Confident	78.5	Confident	8 Å²	8	85.8 Å²	85.8	5%	0.054	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.3	175.4	-66.4	0	0	0	0	109	C115 I144	C115-C134 HydrophobicContact CB-CB 3.97Å; C115-C134 WeakPolarHBondContact CB-SG 3.35Å; C115-C134 VanDerWaalsContact SG-CA 3.58Å; C115-C134 WeakPolarHBondContact SG-CB 3.36Å; C115-C134 CovalentContact SG-SG 2.04Å; C115-C134 PolarHBondContact SG-SG 3.27Å; C134-I144 CarbonylContact C-O 3.59Å; C134-I144 WeakPolarHBondContact CA-O 3.05Å
135	M	85.4	Confident	78.4	Confident	49 Å²	49	87.2 Å²	87.2	24%	0.241	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.5	173.2	62.7	164.5	64.6	0	0	110.4	C124 I144 S146 D150	C124-M135 PolarHBondContact SG-O 2.82Å; M135-I144 HydrophobicContact CG-CD1 4.32Å; M135-I144 HydrophobicContact CG-CG1 3.74Å; M135-I144 PolarHBondContact N-O 3.28Å; M135-I144 PolarHBondContact O-N 3.07Å; M135-I144 HydrophobicContact SD-CD1 4.38Å; M135-I144 HydrophobicContact SD-CG1 4.44Å; M135-S146 VanDerWaalsContact CE-CA 3.47Å; M135-D150 HydrophobicContact CE-CB 3.42Å; M135-D150 VanDerWaalsContact CE-CB 3.42Å; M135-D150 HydrophobicContact SD-CB 4.01Å
136	W	86.2	Confident	78	Confident	43 Å²	43	82.4 Å²	82.4	16%	0.163	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.1	175.6	-174.5	-108.9	0	0	0	109.9	H118 A121 C124 S141 C143	H118-W136 WeakPolarHBondContact O-CZ3 3.44Å; A121-W136 VanDerWaalsContact CA-CD2 3.46Å; A121-W136 HydrophobicContact CB-CB 4Å; A121-W136 VanDerWaalsContact CB-CD1 3.42Å; A121-W136 HydrophobicContact CB-CD2 3.84Å; A121-W136 HydrophobicContact CB-CG 3.48Å; A121-W136 VanDerWaalsContact CB-CG 3.48Å; C124-W136 HydrophobicContact CB-CB 4.41Å; C124-W136 HydrophobicContact CB-CE3 3.67Å; C124-W136 HydrophobicContact CB-CZ3 4.35Å; W136-S141 WeakPolarHBondContact CH2-O 3.27Å; W136-S141 VanDerWaalsContact CZ2-C 3.41Å; W136-C143 HydrophobicContact CE3-CB 4.33Å; W136-C143 HydrophobicContact CZ3-CB 4.45Å
137	Y	81.3	Confident	77.2	Confident	87 Å²	87	78.3 Å²	78.3	34%	0.341	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.5	171.3	-171.6	-99.2	0	0	0	109.2	E139 A140 S141 I142 I144	Y137-E139 HydrophobicContact CD1-CB 4.3Å; Y137-E139 HydrophobicContact CE1-CB 3.64Å; Y137-E139 HydrophobicContact CE1-CG 4.3Å; Y137-E139 PolarHBondContact OH-OE2 3.32Å; Y137-A140 HydrophobicContact CD1-CB 3.69Å; Y137-A140 HydrophobicContact CE1-CB 4Å; Y137-S141 WeakPolarHBondContact O-CA 2.98Å; Y137-S141 PolarHBondContact O-N 2.88Å; Y137-I142 PolarHBondContact N-O 2.7Å; Y137-I142 PolarHBondContact O-N 3.42Å; Y137-I144 HydrophobicContact CD2-CD1 4.25Å; Y137-I144 HydrophobicContact CG-CD1 4.35Å
138	E	82.2	Confident	76.3	Confident	160 Å²	160	81.5 Å²	81.5	75%	0.748	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-44.8	-167.2	-167.1	161.8	-166.8	0	0	112.8	A140 S141	E138-A140 VanDerWaalsContact C-N 3.31Å; E138-A140 PolarHBondContact O-N 3.34Å; E138-S141 PolarHBondContact O-N 2.82Å; E138-S141 PolarHBondContact O-OG 3.03Å
139	E	74.8	Confident	75.4	Confident	163 Å²	163	74.9 Å²	74.9	76%	0.762	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-35.6	-175.4	-58	-178.5	161	0	0	113.5	Y137	Y137-E139 HydrophobicContact CD1-CB 4.3Å; Y137-E139 HydrophobicContact CE1-CB 3.64Å; Y137-E139 HydrophobicContact CE1-CG 4.3Å; Y137-E139 PolarHBondContact OH-OE2 3.32Å
140	A	73.1	Confident	74.5	Confident	36 Å²	36	76.5 Å²	76.5	30%	0.298	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.9	176.2	0	0	0	0	0	113	Y137 E138 I142	Y137-A140 HydrophobicContact CD1-CB 3.69Å; Y137-A140 HydrophobicContact CE1-CB 4Å; E138-A140 VanDerWaalsContact C-N 3.31Å; E138-A140 PolarHBondContact O-N 3.34Å; A140-I142 VanDerWaalsContact C-N 3.3Å; A140-I142 HydrophobicContact CB-CD1 4.03Å; A140-I142 HydrophobicContact CB-CG1 3.93Å; A140-I142 HydrophobicContact CB-CG2 4.48Å; A140-I142 WeakPolarHBondContact O-CG2 3.21Å; A140-I142 PolarHBondContact O-N 3.48Å
141	S	80.8	Confident	73.4	Confident	69 Å²	69	77.1 Å²	77.1	48%	0.483	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	50.6	-176.4	-63.8	0	0	0	0	112.2	W136 Y137 E138	W136-S141 WeakPolarHBondContact CH2-O 3.27Å; W136-S141 VanDerWaalsContact CZ2-C 3.41Å; Y137-S141 WeakPolarHBondContact O-CA 2.98Å; Y137-S141 PolarHBondContact O-N 2.88Å; E138-S141 PolarHBondContact O-N 2.82Å; E138-S141 PolarHBondContact O-OG 3.03Å
142	I	82.4	Confident	72.2	Confident	43 Å²	43	75.9 Å²	75.9	22%	0.221	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.8	-179.4	59.1	175.3	0	0	0	111.5	Y137 A140 I144 P248	Y137-I142 PolarHBondContact N-O 2.7Å; Y137-I142 PolarHBondContact O-N 3.42Å; A140-I142 VanDerWaalsContact C-N 3.3Å; A140-I142 HydrophobicContact CB-CD1 4.03Å; A140-I142 HydrophobicContact CB-CG1 3.93Å; A140-I142 HydrophobicContact CB-CG2 4.48Å; A140-I142 WeakPolarHBondContact O-CG2 3.21Å; A140-I142 PolarHBondContact O-N 3.48Å; I142-I144 HydrophobicContact CD1-CG2 3.65Å; I142-I144 HydrophobicContact CG1-CG2 3.85Å; I142-P248 HydrophobicContact CG2-CB 3.66Å; I142-P248 HydrophobicContact CG2-CG 3.98Å
143	C	81.8	Confident	70.3	Confident	16 Å²	16	78.3 Å²	78.3	11%	0.108	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120	170.8	-162.3	0	0	0	0	109.3	C115 P116 C124 W136	C115-C143 HydrophobicContact CB-CB 4.21Å; P116-C143 WeakPolarHBondContact O-CB 3.37Å; C124-C143 VanDerWaalsContact CA-SG 3.56Å; C124-C143 HydrophobicContact CB-CB 3.7Å; C124-C143 WeakPolarHBondContact CB-SG 3.46Å; C124-C143 WeakPolarHBondContact SG-CA 3.3Å; C124-C143 WeakPolarHBondContact SG-CB 3.41Å; C124-C143 CovalentContact SG-SG 2.03Å; C124-C143 PolarHBondContact SG-SG 3.18Å; W136-C143 HydrophobicContact CE3-CB 4.33Å; W136-C143 HydrophobicContact CZ3-CB 4.45Å
144	I	83.3	Confident	68.2	Low	54 Å²	54	76.3 Å²	76.3	28%	0.277	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	160.1	179.2	61.2	173.6	0	0	0	110.2	C115 C134 M135 Y137 I142 S146	C115-I144 PolarHBondContact SG-O 2.91Å; C115-I144 VanDerWaalsContact SG-O 3.35Å; C134-I144 CarbonylContact C-O 3.59Å; C134-I144 WeakPolarHBondContact CA-O 3.05Å; M135-I144 HydrophobicContact CG-CD1 4.32Å; M135-I144 HydrophobicContact CG-CG1 3.74Å; M135-I144 PolarHBondContact N-O 3.28Å; M135-I144 PolarHBondContact O-N 3.07Å; M135-I144 HydrophobicContact SD-CD1 4.38Å; M135-I144 HydrophobicContact SD-CG1 4.44Å; Y137-I144 HydrophobicContact CD2-CD1 4.25Å; Y137-I144 HydrophobicContact CG-CD1 4.35Å; I142-I144 HydrophobicContact CD1-CG2 3.65Å; I142-I144 HydrophobicContact CG1-CG2 3.85Å; I144-S146 PolarHBondContact O-N 2.67Å
145	V	82.5	Confident	65.6	Low	30 Å²	30	85.3 Å²	85.3	18%	0.182	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.2	173.7	-177.9	0	0	0	0	108.3	G113 C115	G113-V145 WeakPolarHBondContact O-CG2 3.36Å; C115-V145 VanDerWaalsContact SG-CG2 3.58Å; C115-V145 PolarHBondContact SG-N 3.17Å; C115-V145 VanDerWaalsContact SG-N 3.43Å
146	S	72.5	Confident	62.8	Low	28 Å²	28	90.5 Å²	90.5	20%	0.196	48%	0.475	C	S	.	.			trans	-74.8	130.7	177.3	64.7	0	0	0	0	110.6	K133 M135 I144	K133-S146 WeakPolarHBondContact CB-OG 3.32Å; K133-S146 VanDerWaalsContact CG-OG 3.31Å; K133-S146 WeakPolarHBondContact CG-OG 2.98Å; K133-S146 PolarHBondContact O-N 3.21Å; K133-S146 PolarHBondContact O-OG 2.57Å; M135-S146 VanDerWaalsContact CE-CA 3.47Å; I144-S146 PolarHBondContact O-N 2.67Å
147	T	63.9	Low	59.9	Low	40 Å²	40	94 Å²	94	25%	0.245	51%	0.506	C	S	.	.			trans	-104.5	154.5	171.1	73	0	0	0	0	111.2	K149 D150	T147-K149 PolarHBondContact O-N 2.82Å; T147-K149 VanDerWaalsContact O-N 3.07Å; T147-D150 PolarHBondContact N-OD2 2.72Å; T147-D150 PolarHBondContact O-N 2.83Å; T147-D150 PolarHBondContact OG1-OD2 3.44Å
148	D	56.8	Low	57.2	Low	139 Å²	139	94.4 Å²	94.4	74%	0.743	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.5	-177.8	-73.3	-30.3	0	0	0	113.8
149	K	51.3	Low	54.5	Low	58 Å²	58	94 Å²	94	25%	0.252	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-26.7	-179.2	-67.7	-161.8	-174.3	178.3	0	114.4	F97 T147 I151 D152 V168	F97-K149 VanDerWaalsContact CD2-NZ 3.27Å; F97-K149 VanDerWaalsContact CZ-NZ 3.31Å; T147-K149 PolarHBondContact O-N 2.82Å; T147-K149 VanDerWaalsContact O-N 3.07Å; K149-I151 PolarHBondContact O-N 3.22Å; K149-I151 VanDerWaalsContact O-N 3.13Å; K149-D152 PolarHBondContact O-N 3Å; K149-V168 HydrophobicContact CD-CG1 3.96Å; K149-V168 HydrophobicContact CG-CG1 4.39Å
150	D	48.1	Very low	52	Low	64 Å²	64	93 Å²	93	34%	0.342	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-17.6	178.3	-62	-46.9	0	0	0	111.5	M135 T147 D152	M135-D150 HydrophobicContact CE-CB 3.42Å; M135-D150 VanDerWaalsContact CE-CB 3.42Å; M135-D150 HydrophobicContact SD-CB 4.01Å; T147-D150 PolarHBondContact N-OD2 2.72Å; T147-D150 PolarHBondContact O-N 2.83Å; T147-D150 PolarHBondContact OG1-OD2 3.44Å; D150-D152 VanDerWaalsContact C-N 3.3Å; D150-D152 PolarHBondContact O-N 3.24Å
151	I	45.2	Very low	49.6	Very low	125 Å²	125	98.5 Å²	98.5	64%	0.641	55%	0.553	S	S	*	*	H	α-helix	trans	-69.3	-26.9	175.2	-56.8	-179.8	0	0	0	111.7	K149	K149-I151 PolarHBondContact O-N 3.22Å; K149-I151 VanDerWaalsContact O-N 3.13Å
152	D	44.3	Very low	46.9	Very low	147 Å²	147	101.9 Å²	101.9	79%	0.786	57%	0.571	S	S	*	*	H	α-helix	trans	-95.7	-35.4	-173.7	-125.3	3.1	0	0	0	113.4	K149 D150	K149-D152 PolarHBondContact O-N 3Å; D150-D152 VanDerWaalsContact C-N 3.3Å; D150-D152 PolarHBondContact O-N 3.24Å
153	D	36.9	Very low	44.3	Very low	136 Å²	136	103.4 Å²	103.4	73%	0.727	59%	0.585	S	S	*	*	H	α-helix	trans	-102.1	-2.4	-169.4	-70.4	-32.9	0	0	0	115.3	K155	D153-K155 PolarHBondContact O-N 2.04Å; D153-K155 VanDerWaalsContact O-N 3.08Å
154	S	36.6	Very low	42	Very low	107 Å²	107	107.1 Å²	107.1	75%	0.748	61%	0.607	S	S	*	*			trans	-77.8	10.5	-173.9	-168.4	0	0	0	0	115.6
155	K	28.1	Very low	39.5	Very low	197 Å²	197	109.4 Å²	109.4	86%	0.857	62%	0.624	S	S	*	*	S	Bend	trans	-112.7	108	163.5	-82.4	-176.6	177.8	175.6	0	108.2	D153	D153-K155 PolarHBondContact O-N 2.04Å; D153-K155 VanDerWaalsContact O-N 3.08Å
156	N	26.3	Very low	37.1	Very low	159 Å²	159	110.6 Å²	110.6	85%	0.85	63%	0.632	S	S	*	*			trans	95.6	80.4	156.9	-150.2	43.1	0	0	0	116.7
157	S	25.6	Very low	35.2	Very low	116 Å²	116	114.8 Å²	114.8	81%	0.811	65%	0.651	S	S	*	*			trans	-160.6	127.8	130.7	67.7	0	0	0	0	112.7
158	S	24.8	Very low	33.8	Very low	96 Å²	96	114.8 Å²	114.8	67%	0.671	65%	0.651	S	S	*	*			trans	-78.5	153.2	171.5	46.2	0	0	0	0	111.3
159	N	24.7	Very low	32.6	Very low	151 Å²	151	108.7 Å²	108.7	81%	0.807	62%	0.619	S	S	*	*			trans	66.9	80.4	155.6	-48.5	-27.7	0	0	0	118.3
160	V	23.7	Very low	31.6	Very low	141 Å²	141	111.5 Å²	111.5	86%	0.855	63%	0.633	S	S	*	*			trans	-143.8	127.6	149.6	-175.9	0	0	0	0	111.1	V162	V160-V162 PolarHBondContact O-N 3.35Å
161	N	22.8	Very low	30.6	Very low	152 Å²	152	116.7 Å²	116.7	81%	0.813	66%	0.655	S	S	*	*			trans	-38	131.8	170	-86.4	-22.8	0	0	0	112.9	S163	N161-S163 VanDerWaalsContact C-N 3.33Å; N161-S163 PolarHBondContact O-N 3.43Å
162	V	24.6	Very low	30.1	Very low	140 Å²	140	112.3 Å²	112.3	85%	0.848	64%	0.638	S	S	*	*	S	Bend	trans	-28.9	86.3	174.1	-173.7	0	0	0	0	113	V160	V160-V162 PolarHBondContact O-N 3.35Å
163	S	27.4	Very low	29.3	Very low	75 Å²	75	111.3 Å²	111.3	52%	0.524	64%	0.637	S	S	.	*			trans	-129.3	72.4	166.4	-175	0	0	0	0	104.8	N161 T165	N161-S163 VanDerWaalsContact C-N 3.33Å; N161-S163 PolarHBondContact O-N 3.43Å; S163-T165 PolarHBondContact O-N 3.46Å
164	T	33.6	Very low	28.9	Very low	94 Å²	94	110.2 Å²	110.2	58%	0.577	64%	0.636	S	S	*	*			trans	-50.4	113.6	-169.8	-43.7	0	0	0	0	110.2
165	T	30.6	Very low	29.1	Very low	102 Å²	102	108.9 Å²	108.9	63%	0.626	62%	0.623	S	S	*	*			trans	-20.6	144.7	171.3	19.7	0	0	0	0	117.1	S163 I167	S163-T165 PolarHBondContact O-N 3.46Å; T165-I167 PolarHBondContact O-N 2.83Å
166	P	31	Very low	29.7	Very low	55 Å²	55	105.6 Å²	105.6	36%	0.357	62%	0.622	S	S	.	*			trans	-68.9	128.1	-175.3	28.2	-32.8	0	0	0	111.4	V168	P166-V168 WeakPolarHBondContact O-CG2 3.41Å; P166-V168 PolarHBondContact O-N 2.79Å
167	I	32.9	Very low	31	Very low	116 Å²	116	100.8 Å²	100.8	60%	0.595	61%	0.61	S	S	*	*			trans	-58.1	107.6	170.1	-61.7	170	0	0	0	108.3	T94 T165	T94-I167 WeakPolarHBondContact CB-O 3.42Å; T94-I167 PolarHBondContact OG1-O 3.18Å; T165-I167 PolarHBondContact O-N 2.83Å
168	V	34.2	Very low	32.4	Very low	40 Å²	40	96.7 Å²	96.7	24%	0.242	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-77.2	139.3	-170.3	177.6	0	0	0	0	111.4	F97 K149 P166	F97-V168 HydrophobicContact CE2-CG1 4.41Å; K149-V168 HydrophobicContact CD-CG1 3.96Å; K149-V168 HydrophobicContact CG-CG1 4.39Å; P166-V168 WeakPolarHBondContact O-CG2 3.41Å; P166-V168 PolarHBondContact O-N 2.79Å
169	V	31.3	Very low	34.1	Very low	11 Å²	11	94.5 Å²	94.5	7%	0.067	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-76.9	134	178.9	-164.1	0	0	0	0	111.1	W100 V107 E108 Y109	W100-V169 HydrophobicContact CH2-CB 4.34Å; W100-V169 HydrophobicContact CZ3-CB 3.72Å; W100-V169 HydrophobicContact CZ3-CG2 3.97Å; V107-V169 HydrophobicContact CG1-CB 4.15Å; V107-V169 HydrophobicContact CG1-CG1 3.38Å; V107-V169 HydrophobicContact CG1-CG2 3.96Å; E108-V169 WeakPolarHBondContact O-CG1 3.13Å; Y109-V169 HydrophobicContact CD1-CG2 4.04Å; Y109-V169 HydrophobicContact CE1-CB 4.33Å; Y109-V169 HydrophobicContact CE1-CG1 4.49Å; Y109-V169 HydrophobicContact CE1-CG2 3.3Å; Y109-V169 HydrophobicContact CE2-CG1 4.5Å; Y109-V169 HydrophobicContact CE2-CG2 4.17Å; Y109-V169 WeakPolarHBondContact OH-CG2 3.45Å
170	E	31.1	Very low	36.1	Very low	117 Å²	117	94.4 Å²	94.4	55%	0.547	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-90.8	147.5	169.7	-150.8	174.1	175.4	0	0	110.6	A172	E170-A172 PolarHBondContact O-N 3.13Å
171	Q	26.5	Very low	38.3	Very low	173 Å²	173	91 Å²	91	81%	0.808	54%	0.54	S	S	*	.			trans	-84.5	95.9	163.2	-80.2	-174	-67.2	0	0	107.4
172	A	35.8	Very low	40.7	Very low	34 Å²	34	87.5 Å²	87.5	28%	0.281	52%	0.519	S	S	.	.			trans	-88.5	141.7	-179.3	0	0	0	0	0	112.1	E170	E170-A172 PolarHBondContact O-N 3.13Å
173	T	26.9	Very low	42.9	Very low	125 Å²	125	82.7 Å²	82.7	77%	0.767	49%	0.488	S	S	*	.			trans	-80.5	140.3	169.7	-51.1	0	0	0	0	109.2	T175	T173-T175 PolarHBondContact O-N 3.04Å; T173-T175 PolarHBondContact O-OG1 3.5Å
174	T	28.6	Very low	45.2	Very low	114 Å²	114	88.2 Å²	88.2	70%	0.699	50%	0.498	S	S	*	.			trans	-44.8	123.4	-171.6	-37.4	0	0	0	0	113.7
175	T	39.9	Very low	47.3	Very low	78 Å²	78	89 Å²	89	48%	0.479	50%	0.498	S	S	.	.			trans	-114.9	141.7	179.9	-61.5	0	0	0	0	110.3	T173 G177	T173-T175 PolarHBondContact O-N 3.04Å; T173-T175 PolarHBondContact O-OG1 3.5Å; T175-G177 PolarHBondContact O-N 3.2Å
176	P	40.9	Very low	49.7	Very low	128 Å²	128	84.6 Å²	84.6	83%	0.831	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	117.4	-170.5	31	-33.1	0	0	0	111.7
177	G	53.3	Low	51.7	Low	59 Å²	59	83.9 Å²	83.9	61%	0.608	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.6	-28.2	171.9	0	0	0	0	0	111.5	T175	T175-G177 PolarHBondContact O-N 3.2Å
178	I	55.5	Low	53.5	Low	29 Å²	29	81.1 Å²	81.1	15%	0.149	46%	0.464	C	S	.	.	S	Bend	trans	-127.7	140.2	167.7	-62.2	-177.1	0	0	0	106.3	N29 L30 L55 E182 L183	N29-I178 WeakPolarHBondContact O-CD1 3.29Å; L30-I178 HydrophobicContact CB-CD1 3.97Å; L30-I178 HydrophobicContact CD2-CD1 3.99Å; L55-I178 HydrophobicContact CB-CD1 4.45Å; L55-I178 HydrophobicContact CD2-CD1 3.33Å; L55-I178 HydrophobicContact CD2-CG1 3.82Å; L55-I178 HydrophobicContact CG-CD1 3.55Å; L55-I178 HydrophobicContact CG-CG1 4.49Å; I178-E182 HydrophobicContact CG2-CB 3.56Å; I178-L183 HydrophobicContact CG2-CB 4.43Å
179	S	60.7	Low	55.1	Low	50 Å²	50	82.2 Å²	82.2	35%	0.35	46%	0.464	S	S	.	.			trans	-65.5	144.4	176.2	71.2	0	0	0	0	109.5	S181 E182 L183	S179-S181 PolarHBondContact O-N 2.88Å; S179-S181 PolarHBondContact OG-OG 2.95Å; S179-E182 PolarHBondContact O-N 3.03Å; S179-E182 WeakPolarHBondContact OG-CB 3.41Å; S179-E182 VanDerWaalsContact OG-CG 3.32Å; S179-E182 WeakPolarHBondContact OG-CG 3.05Å; S179-E182 PolarHBondContact OG-N 2.82Å; S179-L183 PolarHBondContact O-N 3.27Å; S179-L183 VanDerWaalsContact O-N 3.07Å
180	E	66.2	Low	56.1	Low	149 Å²	149	86.8 Å²	86.8	70%	0.696	49%	0.492	S	S	*	.	H	α-helix	trans	-53.4	-31.7	174.2	-171.3	-177.8	163.7	0	0	111.3	R184	E180-R184 WeakPolarHBondContact O-CB 2.99Å; E180-R184 PolarHBondContact O-N 2.74Å
181	S	70.7	Confident	57.2	Low	69 Å²	69	85.7 Å²	85.7	48%	0.483	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-44	174.6	58.8	0	0	0	0	113.7	S179 R184 N185	S179-S181 PolarHBondContact O-N 2.88Å; S179-S181 PolarHBondContact OG-OG 2.95Å; S181-R184 PolarHBondContact O-N 3.49Å; S181-N185 VanDerWaalsContact O-CB 3.26Å; S181-N185 WeakPolarHBondContact O-CB 3.44Å; S181-N185 PolarHBondContact O-N 3.41Å; S181-N185 PolarHBondContact O-ND2 3.44Å; S181-N185 PolarHBondContact O-OD1 3.16Å
182	E	72.6	Confident	58	Low	80 Å²	80	86.8 Å²	86.8	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-44.8	176.5	-80.3	178.7	153.9	0	0	110.8	I178 S179 R184 N185 E186	I178-E182 HydrophobicContact CG2-CB 3.56Å; S179-E182 PolarHBondContact O-N 3.03Å; S179-E182 WeakPolarHBondContact OG-CB 3.41Å; S179-E182 VanDerWaalsContact OG-CG 3.32Å; S179-E182 WeakPolarHBondContact OG-CG 3.05Å; S179-E182 PolarHBondContact OG-N 2.82Å; E182-R184 PolarHBondContact O-N 3Å; E182-N185 PolarHBondContact O-N 3.13Å; E182-E186 WeakPolarHBondContact O-CG 3.4Å; E182-E186 PolarHBondContact O-N 2.8Å
183	L	72	Confident	58	Low	38 Å²	38	90.1 Å²	90.1	20%	0.199	50%	0.504	C	S	.	.	H	α-helix	trans	-58.7	-49	174.9	-177.1	65.4	0	0	0	110.8	L53 I178 S179 N185 E186 L187	L53-L183 HydrophobicContact CD1-CD1 3.18Å; I178-L183 HydrophobicContact CG2-CB 4.43Å; S179-L183 PolarHBondContact O-N 3.27Å; S179-L183 VanDerWaalsContact O-N 3.07Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 2.04Å; L183-E186 PolarHBondContact O-N 2.62Å; L183-L187 HydrophobicContact CD1-CD1 4.47Å; L183-L187 HydrophobicContact CG-CD1 4.21Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.48Å
184	R	75.4	Confident	58.1	Low	192 Å²	192	89.2 Å²	89.2	73%	0.725	50%	0.503	S	S	*	.	H	α-helix	trans	-61.7	-39.7	178.2	-172.3	178.2	-171.6	-146.9	1.9	112.4	E180 S181 E182 L187 G188	E180-R184 WeakPolarHBondContact O-CB 2.99Å; E180-R184 PolarHBondContact O-N 2.74Å; S181-R184 PolarHBondContact O-N 3.49Å; E182-R184 PolarHBondContact O-N 3Å; R184-L187 PolarHBondContact O-N 2.84Å; R184-G188 PolarHBondContact O-N 2.91Å
185	N	77.6	Confident	58.3	Low	109 Å²	109	91.1 Å²	91.1	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-65.9	-43	177.1	-71.2	-16.6	0	0	0	111	S181 E182 L183 L187 G188 R189	S181-N185 VanDerWaalsContact O-CB 3.26Å; S181-N185 WeakPolarHBondContact O-CB 3.44Å; S181-N185 PolarHBondContact O-N 3.41Å; S181-N185 PolarHBondContact O-ND2 3.44Å; S181-N185 PolarHBondContact O-OD1 3.16Å; E182-N185 PolarHBondContact O-N 3.13Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 2.04Å; N185-L187 VanDerWaalsContact C-N 3.33Å; N185-L187 PolarHBondContact O-N 3.5Å; N185-G188 PolarHBondContact O-N 3.26Å; N185-R189 PolarHBondContact O-N 3.4Å; N185-R189 VanDerWaalsContact O-N 3.13Å
186	E	79.7	Confident	58	Low	10 Å²	10	91.8 Å²	91.8	5%	0.047	51%	0.512	C	S	.	.	H	α-helix	trans	-66	-35.9	176.5	-72	-58.4	126.6	0	0	112.5	K27 L30 R34 E182 L183	K27-E186 WeakPolarHBondContact CE-OE1 3.32Å; K27-E186 IonicContact NZ-OE1 2.91Å; K27-E186 PolarHBondContact NZ-OE1 3.08Å; L30-E186 HydrophobicContact CD1-CG 4.02Å; L30-E186 HydrophobicContact CD2-CG 3.78Å; R34-E186 IonicContact CZ-OE2 2.66Å; R34-E186 PolarHBondContact NE-O 3.02Å; R34-E186 PolarHBondContact NH2-O 2.66Å; R34-E186 IonicContact NH2-OE2 2.71Å; R34-E186 PolarHBondContact NH2-OE2 2.03Å; E182-E186 WeakPolarHBondContact O-CG 3.4Å; E182-E186 PolarHBondContact O-N 2.8Å; L183-E186 PolarHBondContact O-N 2.62Å
187	L	74.8	Confident	57.3	Low	41 Å²	41	93.9 Å²	93.9	22%	0.215	51%	0.51	C	S	.	.	H	α-helix	trans	-74.2	-30.6	175.6	-67.5	-178.7	0	0	0	112.9	T51 L53 Y63 L183 R184 N185	T51-L187 HydrophobicContact CG2-CD2 4.13Å; L53-L187 HydrophobicContact CD1-CD2 4.14Å; Y63-L187 HydrophobicContact CD1-CD2 3.72Å; Y63-L187 HydrophobicContact CD1-CG 4.48Å; Y63-L187 HydrophobicContact CD2-CD1 4.35Å; Y63-L187 HydrophobicContact CG-CD1 4.26Å; Y63-L187 HydrophobicContact CG-CD2 3.71Å; L183-L187 HydrophobicContact CD1-CD1 4.47Å; L183-L187 HydrophobicContact CG-CD1 4.21Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.48Å; R184-L187 PolarHBondContact O-N 2.84Å; N185-L187 VanDerWaalsContact C-N 3.33Å; N185-L187 PolarHBondContact O-N 3.5Å
188	G	70.3	Confident	56.1	Low	57 Å²	57	99.6 Å²	99.6	59%	0.588	53%	0.526	S	S	*	.	H	α-helix	trans	-88.2	-6.3	-179.3	0	0	0	0	0	115.2	R184 N185 T190	R184-G188 PolarHBondContact O-N 2.91Å; N185-G188 PolarHBondContact O-N 3.26Å; G188-T190 PolarHBondContact O-N 3.29Å
189	R	66.7	Low	54.6	Low	64 Å²	64	105.3 Å²	105.3	24%	0.242	56%	0.557	C	S	.	*			trans	-66.7	119.6	-175.4	-167.6	170.5	158.2	101	-13.1	111.5	E23 N185 Q193	E23-R189 IonicContact OE1-NE 2.64Å; N185-R189 PolarHBondContact O-N 3.4Å; N185-R189 VanDerWaalsContact O-N 3.13Å; R189-Q193 VanDerWaalsContact CZ-OE1 3.32Å; R189-Q193 VanDerWaalsContact NH2-CD 3.27Å; R189-Q193 VanDerWaalsContact NH2-CG 3.31Å; R189-Q193 PolarHBondContact NH2-O 3.29Å
190	T	52.9	Low	52.8	Low	107 Å²	107	110.3 Å²	110.3	66%	0.656	58%	0.577	S	S	*	*			trans	-92.1	158	172.2	21.4	0	0	0	0	111.9	G188 E192	G188-T190 PolarHBondContact O-N 3.29Å; T190-E192 PolarHBondContact O-N 3.49Å
191	D	54.5	Low	50.7	Low	94 Å²	94	109.1 Å²	109.1	50%	0.503	58%	0.579	S	S	.	*	S	Bend	trans	-64.5	14.9	-155.3	-50.1	-60	0	0	0	117.3	K49	K49-D191 IonicContact NZ-OD1 3.93Å; K49-D191 PolarHBondContact NZ-OD1 3.15Å; K49-D191 IonicContact NZ-OD2 3.44Å; K49-D191 PolarHBondContact NZ-OD2 3.35Å
192	E	43.5	Very low	48.5	Very low	195 Å²	195	111.6 Å²	111.6	91%	0.911	59%	0.592	S	S	*	*			trans	-92.3	2.9	-168.9	-85.3	-166.6	151.6	0	0	116.8	T190	T190-E192 PolarHBondContact O-N 3.49Å
193	Q	34.7	Very low	46.2	Very low	105 Å²	105	113.7 Å²	113.7	49%	0.491	61%	0.61	S	S	.	*			trans	-127.5	81.4	175.7	-173.7	-175.6	8	0	0	110.9	R189 E195	R189-Q193 VanDerWaalsContact CZ-OE1 3.32Å; R189-Q193 VanDerWaalsContact NH2-CD 3.27Å; R189-Q193 VanDerWaalsContact NH2-CG 3.31Å; R189-Q193 PolarHBondContact NH2-O 3.29Å; Q193-E195 PolarHBondContact O-N 3.39Å
194	S	30.4	Very low	43.9	Very low	106 Å²	106	118.4 Å²	118.4	74%	0.741	64%	0.64	S	S	*	*			trans	-62.1	110.4	167.9	178	0	0	0	0	110.4
195	E	32.3	Very low	41.7	Very low	153 Å²	153	115.4 Å²	115.4	72%	0.715	64%	0.644	S	S	*	*			trans	-110.5	134.8	157.9	-93.4	-175.5	164.5	0	0	109.9	Q193	Q193-E195 PolarHBondContact O-N 3.39Å
196	S	33.1	Very low	39.1	Very low	92 Å²	92	113.3 Å²	113.3	64%	0.643	65%	0.647	S	S	*	*			trans	-90.8	142.7	-149.7	47.6	0	0	0	0	116.2
197	H	27	Very low	36.7	Very low	172 Å²	172	119.4 Å²	119.4	80%	0.796	68%	0.681	S	S	*	*			trans	42.8	94.6	133.1	-57	-83.2	0	0	0	119.8
198	L	26.8	Very low	34.6	Very low	180 Å²	180	124.8 Å²	124.8	94%	0.942	71%	0.709	S	S	*	*			trans	-84.7	104.1	159.4	-77.4	166.8	0	0	0	110.5	M200	L198-M200 PolarHBondContact O-N 2.92Å
199	N	25.3	Very low	32.5	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	72%	0.715	S	S	*	*			trans	-83.7	106.7	165.3	-80.7	-4.8	0	0	0	109.6	T201	N199-T201 PolarHBondContact O-N 3.47Å
200	M	22.7	Very low	30.7	Very low	156 Å²	156	130.4 Å²	130.4	77%	0.768	74%	0.741	S	S	*	*			trans	-76.6	105.1	178.8	-163.6	175	-161.6	0	0	109.9	L198	L198-M200 PolarHBondContact O-N 2.92Å
201	T	21.3	Very low	29.6	Very low	123 Å²	123	137 Å²	137	76%	0.755	75%	0.754	S	S	*	*			trans	-87.3	114.8	174.5	-55.3	0	0	0	0	109.2	N199 V203	N199-T201 PolarHBondContact O-N 3.47Å; T201-V203 PolarHBondContact O-N 3.3Å
202	T	24.2	Very low	28.3	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	77%	0.765	S	S	*	*			trans	-73.9	110	173.7	45.6	0	0	0	0	109.8	T204	T202-T204 PolarHBondContact O-N 3.36Å
203	V	24.7	Very low	27.9	Very low	125 Å²	125	135.8 Å²	135.8	76%	0.758	75%	0.754	S	S	*	*			trans	-80.2	107.1	172.8	176.4	0	0	0	0	109	T201	T201-V203 PolarHBondContact O-N 3.3Å
204	T	23.8	Very low	27.8	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	77%	0.77	S	S	*	*			trans	-93	102.5	165.4	1.2	0	0	0	0	107.9	T202 G206	T202-T204 PolarHBondContact O-N 3.36Å; T204-G206 PolarHBondContact O-N 3.48Å
205	T	29	Very low	28	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	77%	0.773	S	S	*	*			trans	-92	99.2	169.4	-55	0	0	0	0	108.4
206	G	22.9	Very low	28.6	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	77%	0.772	S	S	*	*			trans	-83.3	138.4	165.9	0	0	0	0	0	111.3	T204	T204-G206 PolarHBondContact O-N 3.48Å
207	D	30.5	Very low	28.9	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	77%	0.774	S	S	*	*			trans	35.5	131.6	137.7	-157.7	16.6	0	0	0	120.4
208	N	30.4	Very low	29.9	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	77%	0.769	S	S	*	*				176.8	130.2	123.5	-87.5	-34.2	0	0	0	112.6
209	G	26.4	Very low	31.2	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	76%	0.762	S	S	*	*				98.9	77.3	120	0	0	0	0	0	120
210	H	28.9	Very low	32.7	Very low	170 Å²	170	136.1 Å²	136.1	79%	0.787	75%	0.748	S	S	*	*			trans	-4.6	127.1	137.7	-157	67.4	0	0	0	119.3
211	R	29.6	Very low	34.5	Very low	245 Å²	245	134.5 Å²	134.5	93%	0.925	74%	0.742	S	S	*	*			trans	-162.4	153.5	137.5	-133.3	170.4	176.2	160	-1.6	114.3
212	K	27.4	Very low	36.6	Very low	167 Å²	167	133 Å²	133	73%	0.726	74%	0.735	S	S	*	*			trans	-84.8	161.3	-154.9	-71.4	168.7	169.1	173.5	0	116.5
213	S	34.4	Very low	38.8	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	72%	0.72	S	S	*	*			trans	66.3	122.4	137.3	61.7	0	0	0	0	119.8
214	H	33	Very low	41.5	Very low	181 Å²	181	127.6 Å²	127.6	84%	0.838	70%	0.704	S	S	*	*				-168.8	148.4	100	-112	-104.8	0	0	0	111.2	S216	H214-S216 PolarHBondContact O-N 3.2Å
215	N	34.6	Very low	44	Very low	150 Å²	150	124.6 Å²	124.6	80%	0.802	69%	0.686	S	S	*	*			trans	-58.2	123.7	-174.7	-68.6	-25.3	0	0	0	113.6
216	S	44.1	Very low	46.6	Very low	99 Å²	99	121 Å²	121	69%	0.692	67%	0.669	S	S	*	*			trans	-134.2	79.8	154.8	-165.3	0	0	0	0	108.2	H214	H214-S216 PolarHBondContact O-N 3.2Å
217	L	39.4	Very low	49.5	Very low	132 Å²	132	124.8 Å²	124.8	69%	0.691	67%	0.667	S	S	*	*			trans	-70.3	127.7	178.7	-129.7	75.5	0	0	0	109.1
218	H	49.5	Very low	52.1	Low	150 Å²	150	123.5 Å²	123.5	69%	0.694	66%	0.66	S	S	*	*	S	Bend	trans	90.9	17.5	151.8	-63.2	-60	0	0	0	124.1
219	I	54.2	Low	54.9	Low	155 Å²	155	121 Å²	121	80%	0.795	65%	0.65	S	S	*	*	S	Bend	trans	-123.5	-10.1	165.5	-56.3	179.3	0	0	0	114.1	L221	I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.48Å
220	I	55.8	Low	57.9	Low	97 Å²	97	122.2 Å²	122.2	50%	0.497	64%	0.643	S	S	.	*	S	Bend	trans	-87.1	-2.2	-179	-33.7	-175.8	0	0	0	112.8	S223 V224	I220-S223 PolarHBondContact O-N 2.84Å; I220-V224 HydrophobicContact CB-CG2 4.25Å; I220-V224 HydrophobicContact CG2-CG2 3.43Å; I220-V224 VanDerWaalsContact CG2-CG2 3.43Å; I220-V224 WeakPolarHBondContact O-CB 3.33Å; I220-V224 WeakPolarHBondContact O-CG2 3.34Å; I220-V224 PolarHBondContact O-N 3.49Å
221	L	60.3	Low	60.9	Low	122 Å²	122	117.4 Å²	117.4	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-66.8	-37.9	-171	-155	66.2	0	0	0	114.2	I219 T225	I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.48Å; L221-T225 WeakPolarHBondContact O-CB 3.48Å; L221-T225 VanDerWaalsContact O-CG2 3.22Å; L221-T225 WeakPolarHBondContact O-CG2 3.25Å; L221-T225 PolarHBondContact O-N 3.31Å; L221-T225 PolarHBondContact O-OG1 3.26Å
222	P	65.4	Low	63.7	Low	92 Å²	92	108.6 Å²	108.6	60%	0.597	60%	0.604	S	S	*	*	H	α-helix	trans	-74.7	-35.6	173.8	-17.5	32.3	0	0	0	112.7	T225 A226	P222-T225 WeakPolarHBondContact CA-OG1 3.3Å; P222-T225 PolarHBondContact O-OG1 2.86Å; P222-A226 VanDerWaalsContact O-CB 3.27Å; P222-A226 WeakPolarHBondContact O-CB 3.42Å; P222-A226 PolarHBondContact O-N 2.96Å
223	S	70.4	Confident	66.6	Low	61 Å²	61	102 Å²	102	43%	0.427	58%	0.584	S	S	.	*	H	α-helix	trans	-70.5	-45.2	-177.4	-175.8	0	0	0	0	111.6	I220 A226 F227	I220-S223 PolarHBondContact O-N 2.84Å; S223-A226 PolarHBondContact O-N 3.43Å; S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 WeakPolarHBondContact O-CD2 3.42Å; S223-F227 PolarHBondContact O-N 2.89Å
224	V	82	Confident	69.3	Low	71 Å²	71	100.7 Å²	100.7	43%	0.43	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-41.8	178.3	170.2	0	0	0	0	110.8	I220 F227 L228	I220-V224 HydrophobicContact CB-CG2 4.25Å; I220-V224 HydrophobicContact CG2-CG2 3.43Å; I220-V224 VanDerWaalsContact CG2-CG2 3.43Å; I220-V224 WeakPolarHBondContact O-CB 3.33Å; I220-V224 WeakPolarHBondContact O-CG2 3.34Å; I220-V224 PolarHBondContact O-N 3.49Å; V224-F227 PolarHBondContact O-N 3.29Å; V224-L228 HydrophobicContact CG1-CD1 3.93Å; V224-L228 HydrophobicContact CG1-CG 4.34Å; V224-L228 WeakPolarHBondContact O-CB 3.14Å; V224-L228 VanDerWaalsContact O-CG 3.24Å; V224-L228 WeakPolarHBondContact O-CG 3.39Å; V224-L228 PolarHBondContact O-N 2.97Å
225	T	77.1	Confident	71.9	Confident	73 Å²	73	96.8 Å²	96.8	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-42.4	177.6	50.8	0	0	0	0	111.8	L221 P222 F227 L228 V229	L221-T225 WeakPolarHBondContact O-CB 3.48Å; L221-T225 VanDerWaalsContact O-CG2 3.22Å; L221-T225 WeakPolarHBondContact O-CG2 3.25Å; L221-T225 PolarHBondContact O-N 3.31Å; L221-T225 PolarHBondContact O-OG1 3.26Å; P222-T225 WeakPolarHBondContact CA-OG1 3.3Å; P222-T225 PolarHBondContact O-OG1 2.86Å; T225-F227 PolarHBondContact O-N 3.37Å; T225-L228 PolarHBondContact O-N 3.41Å; T225-V229 VanDerWaalsContact O-CG2 3.31Å; T225-V229 WeakPolarHBondContact O-CG2 3.41Å; T225-V229 PolarHBondContact O-N 3.4Å
226	A	82.2	Confident	74.4	Confident	55 Å²	55	94.3 Å²	94.3	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-60.8	-44.7	173.8	0	0	0	0	0	112.2	P222 S223 L228 V229 V230	P222-A226 VanDerWaalsContact O-CB 3.27Å; P222-A226 WeakPolarHBondContact O-CB 3.42Å; P222-A226 PolarHBondContact O-N 2.96Å; S223-A226 PolarHBondContact O-N 3.43Å; A226-L228 PolarHBondContact O-N 3.3Å; A226-V229 PolarHBondContact O-N 2.89Å; A226-V230 WeakPolarHBondContact O-CG2 3.37Å; A226-V230 PolarHBondContact O-N 2.91Å
227	F	84.2	Confident	76.1	Confident	142 Å²	142	93.7 Å²	93.7	62%	0.623	54%	0.543	S	S	*	.	H	α-helix	trans	-60.6	-43.4	175.7	-99.1	-84.1	0	0	0	112.2	S223 V224 T225 V229 V230 C231	S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 WeakPolarHBondContact O-CD2 3.42Å; S223-F227 PolarHBondContact O-N 2.89Å; V224-F227 PolarHBondContact O-N 3.29Å; T225-F227 PolarHBondContact O-N 3.37Å; F227-V229 PolarHBondContact O-N 3.28Å; F227-V230 PolarHBondContact O-N 3.49Å; F227-C231 WeakPolarHBondContact O-CB 3.38Å; F227-C231 PolarHBondContact O-N 3.47Å; F227-C231 PolarHBondContact O-SG 2.9Å
228	L	85.9	Confident	78	Confident	112 Å²	112	92.7 Å²	92.7	59%	0.586	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-37.1	177.8	-69.9	173.2	0	0	0	112.6	V224 T225 A226 S232	V224-L228 HydrophobicContact CG1-CD1 3.93Å; V224-L228 HydrophobicContact CG1-CG 4.34Å; V224-L228 WeakPolarHBondContact O-CB 3.14Å; V224-L228 VanDerWaalsContact O-CG 3.24Å; V224-L228 WeakPolarHBondContact O-CG 3.39Å; V224-L228 PolarHBondContact O-N 2.97Å; T225-L228 PolarHBondContact O-N 3.41Å; A226-L228 PolarHBondContact O-N 3.3Å; L228-S232 WeakPolarHBondContact O-CB 3.38Å; L228-S232 PolarHBondContact O-N 3.19Å; L228-S232 PolarHBondContact O-OG 3.01Å
229	V	88.4	Confident	79.4	Confident	102 Å²	102	91.8 Å²	91.8	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-67.6	-43.5	175.3	173.1	0	0	0	0	110.8	T225 A226 F227 S232 G233	T225-V229 VanDerWaalsContact O-CG2 3.31Å; T225-V229 WeakPolarHBondContact O-CG2 3.41Å; T225-V229 PolarHBondContact O-N 3.4Å; A226-V229 PolarHBondContact O-N 2.89Å; F227-V229 PolarHBondContact O-N 3.28Å; V229-S232 WeakPolarHBondContact CA-OG 3.22Å; V229-S232 PolarHBondContact O-N 3.5Å; V229-S232 PolarHBondContact O-OG 2.96Å; V229-G233 PolarHBondContact O-N 3.24Å
230	V	89.6	Confident	80.4	Confident	93 Å²	93	88.6 Å²	88.6	56%	0.564	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-45	175.7	173.4	0	0	0	0	110.8	A226 F227 S232 G233 C234	A226-V230 WeakPolarHBondContact O-CG2 3.37Å; A226-V230 PolarHBondContact O-N 2.91Å; F227-V230 PolarHBondContact O-N 3.49Å; V230-S232 PolarHBondContact O-N 3.18Å; V230-G233 PolarHBondContact O-N 2.89Å; V230-C234 PolarHBondContact O-N 3.41Å; V230-C234 PolarHBondContact O-SG 3.41Å
231	C	90.8	Very high	81.2	Confident	69 Å²	69	90.7 Å²	90.7	47%	0.466	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-43.4	177.5	-71.9	0	0	0	0	112.2	F227 C234 V235	F227-C231 WeakPolarHBondContact O-CB 3.38Å; F227-C231 PolarHBondContact O-N 3.47Å; F227-C231 PolarHBondContact O-SG 2.9Å; C231-C234 PolarHBondContact O-N 2.86Å; C231-V235 WeakPolarHBondContact O-CG2 3.41Å; C231-V235 PolarHBondContact O-N 3.45Å
232	S	89.2	Confident	81.5	Confident	61 Å²	61	93.4 Å²	93.4	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-40.8	176.9	61.6	0	0	0	0	111.6	L228 V229 V230 C234 V235 I236	L228-S232 WeakPolarHBondContact O-CB 3.38Å; L228-S232 PolarHBondContact O-N 3.19Å; L228-S232 PolarHBondContact O-OG 3.01Å; V229-S232 WeakPolarHBondContact CA-OG 3.22Å; V229-S232 PolarHBondContact O-N 3.5Å; V229-S232 PolarHBondContact O-OG 2.96Å; V230-S232 PolarHBondContact O-N 3.18Å; S232-C234 PolarHBondContact O-N 3.35Å; S232-V235 PolarHBondContact O-N 3.26Å; S232-I236 WeakPolarHBondContact O-CD1 3.43Å; S232-I236 VanDerWaalsContact O-CG1 3.25Å; S232-I236 WeakPolarHBondContact O-CG1 3.34Å; S232-I236 PolarHBondContact O-N 3.04Å
233	G	89.2	Confident	81.4	Confident	29 Å²	29	93 Å²	93	30%	0.299	51%	0.506	S	S	.	.	H	α-helix	trans	-57.1	-45.9	170.6	0	0	0	0	0	112.8	V229 V230 V235 I236 C237	V229-G233 PolarHBondContact O-N 3.24Å; V230-G233 PolarHBondContact O-N 2.89Å; G233-V235 PolarHBondContact O-N 2.86Å; G233-I236 PolarHBondContact O-N 3.24Å; G233-C237 WeakPolarHBondContact O-CB 3.24Å; G233-C237 PolarHBondContact O-N 3.44Å; G233-C237 PolarHBondContact O-SG 3.28Å
234	C	90.3	Very high	81	Confident	69 Å²	69	97 Å²	97	47%	0.466	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-43.5	176.4	-70.6	0	0	0	0	112.4	V230 C231 S232 C237 L238	V230-C234 PolarHBondContact O-N 3.41Å; V230-C234 PolarHBondContact O-SG 3.41Å; C231-C234 PolarHBondContact O-N 2.86Å; S232-C234 PolarHBondContact O-N 3.35Å; C234-C237 PolarHBondContact O-N 3.48Å; C234-L238 WeakPolarHBondContact O-CB 3.48Å; C234-L238 VanDerWaalsContact O-CG 3.27Å; C234-L238 WeakPolarHBondContact O-CG 3.31Å; C234-L238 PolarHBondContact O-N 3.4Å
235	V	87.8	Confident	80	Confident	99 Å²	99	99.6 Å²	99.6	60%	0.6	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-44	178.1	172.7	0	0	0	0	110.8	C231 S232 G233 L238 W239	C231-V235 WeakPolarHBondContact O-CG2 3.41Å; C231-V235 PolarHBondContact O-N 3.45Å; S232-V235 PolarHBondContact O-N 3.26Å; G233-V235 PolarHBondContact O-N 2.86Å; V235-L238 PolarHBondContact O-N 3.25Å; V235-W239 VanDerWaalsContact O-CB 3.3Å; V235-W239 WeakPolarHBondContact O-CB 3.33Å; V235-W239 PolarHBondContact O-N 2.93Å
236	I	86.1	Confident	78.9	Confident	97 Å²	97	96.5 Å²	96.5	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-43.6	177.5	-65.2	163.6	0	0	0	110.7	S232 G233 L238 W239 L240	S232-I236 WeakPolarHBondContact O-CD1 3.43Å; S232-I236 VanDerWaalsContact O-CG1 3.25Å; S232-I236 WeakPolarHBondContact O-CG1 3.34Å; S232-I236 PolarHBondContact O-N 3.04Å; G233-I236 PolarHBondContact O-N 3.24Å; I236-L238 PolarHBondContact O-N 3.08Å; I236-W239 WeakPolarHBondContact O-CB 3.49Å; I236-W239 PolarHBondContact O-N 3.17Å; I236-L240 HydrophobicContact CG2-CD1 4.13Å; I236-L240 HydrophobicContact CG2-CG 4.39Å; I236-L240 WeakPolarHBondContact O-CG 3.45Å; I236-L240 PolarHBondContact O-N 2.86Å
237	C	81.6	Confident	77.2	Confident	86 Å²	86	97 Å²	97	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-61.5	-44.3	176.3	-75.9	0	0	0	0	112.4	G233 C234 W239 L240 Y241	G233-C237 WeakPolarHBondContact O-CB 3.24Å; G233-C237 PolarHBondContact O-N 3.44Å; G233-C237 PolarHBondContact O-SG 3.28Å; C234-C237 PolarHBondContact O-N 3.48Å; C237-W239 VanDerWaalsContact C-N 3.28Å; C237-W239 PolarHBondContact O-N 2.92Å; C237-L240 PolarHBondContact O-N 3.44Å; C237-Y241 VanDerWaalsContact O-CB 3.3Å; C237-Y241 WeakPolarHBondContact O-CB 3.37Å; C237-Y241 PolarHBondContact O-N 3.31Å
238	L	78.5	Confident	75.7	Confident	111 Å²	111	93.8 Å²	93.8	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-63.3	-37.2	174.8	-73.3	171.3	0	0	0	111.5	C234 V235 I236 Y241 R242	C234-L238 WeakPolarHBondContact O-CB 3.48Å; C234-L238 VanDerWaalsContact O-CG 3.27Å; C234-L238 WeakPolarHBondContact O-CG 3.31Å; C234-L238 PolarHBondContact O-N 3.4Å; V235-L238 PolarHBondContact O-N 3.25Å; I236-L238 PolarHBondContact O-N 3.08Å; L238-Y241 PolarHBondContact O-N 3.41Å; L238-R242 WeakPolarHBondContact O-CG 3.27Å; L238-R242 PolarHBondContact O-N 3.39Å
239	W	78.9	Confident	73.8	Confident	132 Å²	132	91 Å²	91	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-48	176.3	-169.2	71.6	0	0	0	111.8	V235 I236 C237 Y241 R242 K243	V235-W239 VanDerWaalsContact O-CB 3.3Å; V235-W239 WeakPolarHBondContact O-CB 3.33Å; V235-W239 PolarHBondContact O-N 2.93Å; I236-W239 WeakPolarHBondContact O-CB 3.49Å; I236-W239 PolarHBondContact O-N 3.17Å; C237-W239 VanDerWaalsContact C-N 3.28Å; C237-W239 PolarHBondContact O-N 2.92Å; W239-Y241 VanDerWaalsContact C-N 3.33Å; W239-Y241 PolarHBondContact O-N 2.92Å; W239-R242 PolarHBondContact O-N 3.37Å; W239-K243 PolarHBondContact O-N 2.94Å
240	L	74.3	Confident	71.1	Confident	88 Å²	88	93.9 Å²	93.9	46%	0.461	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-37.4	175.3	-68.7	175.5	0	0	0	112.5	I236 C237 K243 K244	I236-L240 HydrophobicContact CG2-CD1 4.13Å; I236-L240 HydrophobicContact CG2-CG 4.39Å; I236-L240 WeakPolarHBondContact O-CG 3.45Å; I236-L240 PolarHBondContact O-N 2.86Å; C237-L240 PolarHBondContact O-N 3.44Å; L240-K243 PolarHBondContact O-N 3.3Å; L240-K244 PolarHBondContact O-N 2.92Å
241	Y	73.7	Confident	68.6	Low	141 Å²	141	96.2 Å²	96.2	55%	0.553	51%	0.511	S	S	*	.	H	α-helix	trans	-65.8	-41	176.4	-175.1	-101.4	0	0	0	112	C237 L238 W239 K244 K245	C237-Y241 VanDerWaalsContact O-CB 3.3Å; C237-Y241 WeakPolarHBondContact O-CB 3.37Å; C237-Y241 PolarHBondContact O-N 3.31Å; L238-Y241 PolarHBondContact O-N 3.41Å; W239-Y241 VanDerWaalsContact C-N 3.33Å; W239-Y241 PolarHBondContact O-N 2.92Å; Y241-K244 PolarHBondContact O-N 2.74Å; Y241-K245 HydrophobicContact CE1-CD 4.23Å; Y241-K245 PolarHBondContact O-N 3.02Å; Y241-K245 WeakPolarHBondContact OH-CE 3.33Å
242	R	67	Low	67.5	Low	179 Å²	179	97.6 Å²	97.6	68%	0.675	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-40	173.6	-76.3	-179.7	175.9	-174.5	0.8	111.9	L238 W239 K244 K245 C246	L238-R242 WeakPolarHBondContact O-CG 3.27Å; L238-R242 PolarHBondContact O-N 3.39Å; W239-R242 PolarHBondContact O-N 3.37Å; R242-K244 VanDerWaalsContact C-N 3.35Å; R242-K244 PolarHBondContact O-N 2.92Å; R242-K245 PolarHBondContact O-N 3.36Å; R242-K245 VanDerWaalsContact O-N 3.13Å; R242-C246 PolarHBondContact O-N 2.99Å
243	K	62.7	Low	66.3	Low	83 Å²	83	99.5 Å²	99.5	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-57.4	-45.5	176.1	-166.8	171.4	-177.7	169.6	0	112	W239 L240 K245 C246 M247	W239-K243 PolarHBondContact O-N 2.94Å; L240-K243 PolarHBondContact O-N 3.3Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.97Å; K243-C246 PolarHBondContact O-N 2.94Å; K243-C246 VanDerWaalsContact O-N 3.16Å; K243-M247 PolarHBondContact O-N 2.71Å
244	K	61.5	Low	65.1	Low	145 Å²	145	103.4 Å²	103.4	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-64.2	-21.9	177.5	-76.3	-174.5	178.1	179.1	0	114.9	L240 Y241 R242	L240-K244 PolarHBondContact O-N 2.92Å; Y241-K244 PolarHBondContact O-N 2.74Å; R242-K244 VanDerWaalsContact C-N 3.35Å; R242-K244 PolarHBondContact O-N 2.92Å
245	K	61	Low	63.6	Low	125 Å²	125	105.4 Å²	105.4	54%	0.543	53%	0.533	S	S	.	.	H	α-helix	trans	-78.6	-27.7	175.7	-74.4	-167.9	172.7	-175.7	0	112.7	Y241 R242 K243	Y241-K245 HydrophobicContact CE1-CD 4.23Å; Y241-K245 PolarHBondContact O-N 3.02Å; Y241-K245 WeakPolarHBondContact OH-CE 3.33Å; R242-K245 PolarHBondContact O-N 3.36Å; R242-K245 VanDerWaalsContact O-N 3.13Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.97Å
246	C	54.3	Low	62.1	Low	9 Å²	9	105.8 Å²	105.8	6%	0.061	53%	0.529	C	S	.	.	H	α-helix	trans	-101.9	-17.1	-178.9	-75.3	0	0	0	0	114.4	A84 C85 R90 R242 K243	A84-C246 PolarHBondContact O-SG 2.83Å; C85-C246 WeakPolarHBondContact CA-SG 3.35Å; C85-C246 HydrophobicContact CB-CB 3.47Å; C85-C246 VanDerWaalsContact CB-CB 3.47Å; C85-C246 WeakPolarHBondContact CB-SG 3.48Å; C85-C246 WeakPolarHBondContact SG-CB 3.38Å; C85-C246 CovalentContact SG-SG 2.04Å; C85-C246 PolarHBondContact SG-SG 2.86Å; R90-C246 PolarHBondContact NH1-O 3.03Å; R242-C246 PolarHBondContact O-N 2.99Å; K243-C246 PolarHBondContact O-N 2.94Å; K243-C246 VanDerWaalsContact O-N 3.16Å
247	M	45.7	Very low	60.5	Low	64 Å²	64	106.4 Å²	106.4	32%	0.315	53%	0.531	S	S	.	.			trans	-140.4	91.5	-179.7	-69	178.1	144.4	0	0	109.6	K243	K243-M247 PolarHBondContact O-N 2.71Å
248	P	52.2	Low	59	Low	76 Å²	76	107.9 Å²	107.9	49%	0.494	53%	0.528	S	S	.	.			trans	-68.4	-19.9	157.5	-12.4	27.5	0	0	0	111.6	I142	I142-P248 HydrophobicContact CG2-CB 3.66Å; I142-P248 HydrophobicContact CG2-CG 3.98Å
249	S	47.5	Very low	57.5	Low	53 Å²	53	107.6 Å²	107.6	37%	0.371	52%	0.523	S	S	.	.			trans	-75.9	130.3	175.9	59.7	0	0	0	0	111.3
250	L	31.7	Very low	55.7	Low	162 Å²	162	105.6 Å²	105.6	85%	0.848	53%	0.525	S	S	*	.			trans	97.4	70.1	178	-59.6	146.1	0	0	0	115.6
251	S	36.3	Very low	54	Low	142 Å²	142	107.2 Å²	107.2	99%	0.993	53%	0.531	S	S	*	.				-167.6	0	128.6	174.3	0	0	0	0	109.8	K119	K119-S251 WeakPolarHBondContact CE-OXT 3.4Å; K119-S251 VanDerWaalsContact NZ-C 3.32Å; K119-S251 PolarHBondContact NZ-OXT 3.29Å

Retrieved 251 of 251 residues in 258.1 ms (Link to these results)

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