A0A3Q0KR89_SCHMA Loading...

Sm domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 284 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68	Low	85.2	Confident	88 Å²	88	80.4 Å²	80.4	43%	0.433	40%	0.402	S	S	.	.				0	-56.6	0	-67.4	-57.5	-104.2	0	0	113	S3 L4 W5 F35 W39	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-W5 PolarHBondContact O-N 3.48Å; M1-F35 HydrophobicContact CE-CD2 4.01Å; M1-F35 HydrophobicContact CE-CE2 3.57Å; M1-F35 HydrophobicContact SD-CD2 4.16Å; M1-F35 HydrophobicContact SD-CE2 3.69Å; M1-W39 HydrophobicContact SD-CH2 4.49Å; M1-W39 HydrophobicContact SD-CZ2 4.48Å
2	A	82.5	Confident	85.2	Confident	70 Å²	70	75.3 Å²	75.3	58%	0.579	38%	0.38	S	S	*	.	H	α-helix	trans	-54	-39.2	-176.5	0	0	0	0	0	114.4	W5 K6	A2-W5 WeakPolarHBondContact O-CB 3.48Å; A2-W5 PolarHBondContact O-N 3.37Å; A2-K6 WeakPolarHBondContact O-CG 3.3Å; A2-K6 PolarHBondContact O-N 3.46Å
3	S	84	Confident	85.5	Confident	37 Å²	37	75.4 Å²	75.4	26%	0.259	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-38.7	178	-40.9	0	0	0	0	113	M1 K6 A7 I276	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.44Å; S3-K6 PolarHBondContact O-N 2.94Å; S3-A7 PolarHBondContact O-N 2.97Å; S3-I276 WeakPolarHBondContact O-CD1 3.23Å
4	L	86.4	Confident	85.8	Confident	10 Å²	10	70 Å²	70	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-38.4	175.4	-73.6	179.2	0	0	0	111.6	M1 K6 A7 M8 L32 F35 W39 I274	M1-L4 PolarHBondContact O-N 3.33Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 2.93Å; L4-A7 PolarHBondContact O-N 3.46Å; L4-M8 WeakPolarHBondContact O-CB 3.4Å; L4-M8 PolarHBondContact O-N 3.39Å; L4-L32 HydrophobicContact CB-CD2 4.18Å; L4-L32 HydrophobicContact CD2-CD2 3.94Å; L4-F35 HydrophobicContact CB-CD1 4.26Å; L4-F35 HydrophobicContact CB-CE1 4.03Å; L4-F35 HydrophobicContact CB-CE2 4.32Å; L4-F35 HydrophobicContact CB-CZ 4.06Å; L4-F35 HydrophobicContact CD1-CD2 4.47Å; L4-W39 HydrophobicContact CD1-CE3 3.89Å; L4-W39 HydrophobicContact CD1-CH2 4.42Å; L4-W39 HydrophobicContact CD1-CZ3 3.44Å; L4-W39 VanDerWaalsContact CD1-CZ3 3.44Å; L4-I274 HydrophobicContact CD1-CD1 4.21Å; L4-I274 HydrophobicContact CD2-CG2 3.85Å
5	W	88.2	Confident	85.9	Confident	141 Å²	141	68.5 Å²	68.5	53%	0.534	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-47.5	171.4	-177.3	-97.3	0	0	0	111.2	M1 A2 A7 M8 Q9 F35	M1-W5 PolarHBondContact O-N 3.48Å; A2-W5 WeakPolarHBondContact O-CB 3.48Å; A2-W5 PolarHBondContact O-N 3.37Å; W5-A7 PolarHBondContact O-N 3.37Å; W5-M8 HydrophobicContact CD2-CE 4.22Å; W5-M8 HydrophobicContact CE3-CE 3.57Å; W5-M8 HydrophobicContact CH2-CE 3.91Å; W5-M8 HydrophobicContact CZ2-CE 4.5Å; W5-M8 HydrophobicContact CZ3-CE 3.4Å; W5-M8 PolarHBondContact O-N 2.98Å; W5-Q9 VanDerWaalsContact CZ2-NE2 3.28Å; W5-Q9 VanDerWaalsContact O-CG 3.3Å; W5-Q9 WeakPolarHBondContact O-CG 3.19Å; W5-Q9 PolarHBondContact O-N 3.42Å; W5-F35 HydrophobicContact CB-CE1 4.4Å; W5-F35 HydrophobicContact CB-CZ 4.1Å; W5-F35 HydrophobicContact CE3-CE1 4.21Å; W5-F35 HydrophobicContact CE3-CZ 4.16Å
6	K	88.5	Confident	86	Confident	125 Å²	125	64.3 Å²	64.3	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.6	-71.6	178	-179.5	-178.2	0	112.3	A2 S3 L4 M8 Q9 N10	A2-K6 WeakPolarHBondContact O-CG 3.3Å; A2-K6 PolarHBondContact O-N 3.46Å; S3-K6 PolarHBondContact O-N 2.94Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 2.93Å; K6-M8 VanDerWaalsContact C-N 3.33Å; K6-M8 PolarHBondContact O-N 3.3Å; K6-Q9 PolarHBondContact O-N 3.29Å; K6-N10 VanDerWaalsContact O-CB 3.31Å; K6-N10 WeakPolarHBondContact O-CB 3.33Å; K6-N10 PolarHBondContact O-N 3.49Å; K6-N10 PolarHBondContact O-ND2 3.18Å
7	A	86.2	Confident	85.9	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-39.1	177.1	0	0	0	0	0	112.6	S3 L4 W5 N10 Q11 S12 I14 I276	S3-A7 PolarHBondContact O-N 2.97Å; L4-A7 PolarHBondContact O-N 3.46Å; W5-A7 PolarHBondContact O-N 3.37Å; A7-N10 CarbonylContact O-C 3.59Å; A7-N10 PolarHBondContact O-N 3.37Å; A7-Q11 PolarHBondContact O-N 3.45Å; A7-S12 PolarHBondContact O-N 3.47Å; A7-I14 HydrophobicContact CB-CG2 4.22Å; A7-I276 HydrophobicContact CB-CD1 3.83Å; A7-I276 HydrophobicContact CB-CG1 3.88Å; A7-I276 HydrophobicContact CB-CG2 4.02Å
8	M	89.2	Confident	85.8	Confident	36 Å²	36	58.9 Å²	58.9	18%	0.177	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-46.7	175.9	-171.1	-173.2	79.4	0	0	111.3	L4 W5 K6 N10 Q11 L32 V33 F35	L4-M8 WeakPolarHBondContact O-CB 3.4Å; L4-M8 PolarHBondContact O-N 3.39Å; W5-M8 HydrophobicContact CD2-CE 4.22Å; W5-M8 HydrophobicContact CE3-CE 3.57Å; W5-M8 HydrophobicContact CH2-CE 3.91Å; W5-M8 HydrophobicContact CZ2-CE 4.5Å; W5-M8 HydrophobicContact CZ3-CE 3.4Å; W5-M8 PolarHBondContact O-N 2.98Å; K6-M8 VanDerWaalsContact C-N 3.33Å; K6-M8 PolarHBondContact O-N 3.3Å; M8-N10 VanDerWaalsContact C-N 3.33Å; M8-N10 PolarHBondContact O-N 2.91Å; M8-Q11 PolarHBondContact O-N 3.01Å; M8-L32 HydrophobicContact CB-CD2 4.1Å; M8-L32 HydrophobicContact CB-CG 4.26Å; M8-V33 VanDerWaalsContact CG-O 3.3Å; M8-V33 WeakPolarHBondContact CG-O 3.45Å; M8-F35 HydrophobicContact CB-CE1 4.36Å; M8-F35 HydrophobicContact SD-CD1 3.95Å; M8-F35 HydrophobicContact SD-CE1 3.92Å
9	Q	89.6	Confident	85.4	Confident	113 Å²	113	62.8 Å²	62.8	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177.2	-68	-63.1	-26.6	0	0	112.3	W5 K6 Q11	W5-Q9 VanDerWaalsContact CZ2-NE2 3.28Å; W5-Q9 VanDerWaalsContact O-CG 3.3Å; W5-Q9 WeakPolarHBondContact O-CG 3.19Å; W5-Q9 PolarHBondContact O-N 3.42Å; K6-Q9 PolarHBondContact O-N 3.29Å; Q9-Q11 VanDerWaalsContact C-N 3.26Å; Q9-Q11 PolarHBondContact O-N 2.94Å
10	N	88.6	Confident	84.7	Confident	117 Å²	117	61.2 Å²	61.2	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.2	179.7	-64.8	-12.5	0	0	0	113.3	K6 A7 M8 S12	K6-N10 VanDerWaalsContact O-CB 3.31Å; K6-N10 WeakPolarHBondContact O-CB 3.33Å; K6-N10 PolarHBondContact O-N 3.49Å; K6-N10 PolarHBondContact O-ND2 3.18Å; A7-N10 CarbonylContact O-C 3.59Å; A7-N10 PolarHBondContact O-N 3.37Å; M8-N10 VanDerWaalsContact C-N 3.33Å; M8-N10 PolarHBondContact O-N 2.91Å; N10-S12 WeakPolarHBondContact CB-OG 3.31Å; N10-S12 PolarHBondContact O-N 3.06Å
11	Q	86.2	Confident	83.7	Confident	145 Å²	145	65 Å²	65	68%	0.678	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	33.1	-172.7	-60.4	-174.9	-20.9	0	0	113.5	A7 M8 Q9	A7-Q11 PolarHBondContact O-N 3.45Å; M8-Q11 PolarHBondContact O-N 3.01Å; Q9-Q11 VanDerWaalsContact C-N 3.26Å; Q9-Q11 PolarHBondContact O-N 2.94Å
12	S	85	Confident	83.6	Confident	20 Å²	20	69.4 Å²	69.4	14%	0.14	34%	0.344	C	S	.	.			trans	-70.3	145.3	-174.3	-57.7	0	0	0	0	111.1	A7 N10	A7-S12 PolarHBondContact O-N 3.47Å; N10-S12 WeakPolarHBondContact CB-OG 3.31Å; N10-S12 PolarHBondContact O-N 3.06Å
13	Q	88.9	Confident	82.8	Confident	76 Å²	76	68.6 Å²	68.6	36%	0.355	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136	170.5	-77.3	-176.3	-6.3	0	0	110.3	N31 I277	Q13-N31 WeakPolarHBondContact CG-OD1 3.27Å; Q13-I277 HydrophobicContact CB-CB 4.13Å; Q13-I277 HydrophobicContact CB-CD1 4.31Å; Q13-I277 WeakPolarHBondContact O-CB 3.47Å; Q13-I277 PolarHBondContact O-N 3.33Å
14	I	89.2	Confident	82.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146	171.7	70.8	164.1	0	0	0	110	A7 V16 I29 G30 L32 L41 L43 I274 R275 I276	A7-I14 HydrophobicContact CB-CG2 4.22Å; I14-V16 HydrophobicContact CD1-CG2 3.7Å; I14-V16 HydrophobicContact CG1-CG2 4.07Å; I14-I29 VanDerWaalsContact O-CA 3.28Å; I14-I29 WeakPolarHBondContact O-CA 3.44Å; I14-G30 PolarHBondContact N-O 3.49Å; I14-G30 PolarHBondContact O-N 2.83Å; I14-L32 HydrophobicContact CD1-CB 4.09Å; I14-L32 HydrophobicContact CD1-CD1 3.98Å; I14-L32 HydrophobicContact CD1-CD2 4.42Å; I14-L32 HydrophobicContact CD1-CG 4.39Å; I14-L32 HydrophobicContact CG1-CB 4.33Å; I14-L32 HydrophobicContact CG2-CB 4.23Å; I14-L41 HydrophobicContact CD1-CD1 4.07Å; I14-L43 HydrophobicContact CD1-CD2 3.63Å; I14-L43 HydrophobicContact CG1-CD2 3.84Å; I14-I274 HydrophobicContact CB-CG2 4.47Å; I14-I274 HydrophobicContact CD1-CG2 3.97Å; I14-R275 CarbonylContact C-O 3.49Å; I14-R275 VanDerWaalsContact CA-O 3.25Å; I14-R275 WeakPolarHBondContact CA-O 3.37Å; I14-I276 HydrophobicContact CG2-CG1 4.19Å
15	M	88.7	Confident	81.7	Confident	48 Å²	48	73.1 Å²	73.1	24%	0.236	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.4	169.6	-173.5	-178.1	76.3	0	0	109	S27 I28 I29 I274 R275 I277	M15-S27 VanDerWaalsContact CG-OG 3.23Å; M15-S27 WeakPolarHBondContact CG-OG 3.37Å; M15-S27 PolarHBondContact SD-OG 3.23Å; M15-I28 CarbonylContact C-O 3.59Å; M15-I28 VanDerWaalsContact CA-O 3.32Å; M15-I28 WeakPolarHBondContact CA-O 3.42Å; M15-I29 HydrophobicContact CB-CG1 4.15Å; M15-I29 HydrophobicContact CG-CD1 4.48Å; M15-I29 HydrophobicContact CG-CG1 3.96Å; M15-I274 CarbonylContact O-C 3.4Å; M15-I274 WeakPolarHBondContact O-CA 3.47Å; M15-R275 HydrophobicContact CB-CB 4.43Å; M15-R275 HydrophobicContact CE-CB 4.35Å; M15-R275 PolarHBondContact N-O 3.47Å; M15-R275 PolarHBondContact O-N 2.93Å; M15-I277 HydrophobicContact CB-CD1 4.16Å; M15-I277 HydrophobicContact CB-CG1 4.32Å
16	V	86.8	Confident	81.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118	179.8	-177	0	0	0	0	108.6	I14 T18 S27 I28 L41 L43 I266 I271 L273 I274	I14-V16 HydrophobicContact CD1-CG2 3.7Å; I14-V16 HydrophobicContact CG1-CG2 4.07Å; V16-T18 HydrophobicContact CG1-CG2 4.43Å; V16-S27 CarbonylContact O-C 3.48Å; V16-S27 WeakPolarHBondContact O-CA 2.99Å; V16-I28 HydrophobicContact CB-CB 4.39Å; V16-I28 PolarHBondContact N-O 2.85Å; V16-I28 PolarHBondContact O-N 3.05Å; V16-L41 HydrophobicContact CG1-CD1 4.29Å; V16-L41 HydrophobicContact CG2-CD1 3.65Å; V16-L43 HydrophobicContact CG2-CD1 4.13Å; V16-I266 HydrophobicContact CB-CD1 4.37Å; V16-I266 HydrophobicContact CG1-CD1 4.18Å; V16-I271 HydrophobicContact CG1-CD1 4.13Å; V16-I271 HydrophobicContact CG1-CG1 3.96Å; V16-I271 HydrophobicContact CG1-CG2 4.01Å; V16-L273 WeakPolarHBondContact CA-O 3.48Å; V16-I274 HydrophobicContact CG2-CG2 4.44Å
17	M	85	Confident	80.8	Confident	23 Å²	23	61.4 Å²	61.4	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.1	172.6	-165.2	179.1	-152.6	0	0	109	P24 F78 I272 L273	M17-P24 HydrophobicContact CE-CB 3.27Å; M17-P24 HydrophobicContact CE-CG 3.55Å; M17-P24 HydrophobicContact CG-CB 4.14Å; M17-P24 HydrophobicContact SD-CB 4.08Å; M17-P24 HydrophobicContact SD-CG 4.28Å; M17-F78 HydrophobicContact CE-CZ 3.99Å; M17-I272 HydrophobicContact CB-CB 4.33Å; M17-I272 HydrophobicContact CG-CB 4.44Å; M17-I272 HydrophobicContact CG-CD1 4.4Å; M17-I272 WeakPolarHBondContact O-CB 3.18Å; M17-I272 PolarHBondContact O-N 2.95Å; M17-I272 HydrophobicContact SD-CG2 4.45Å; M17-L273 HydrophobicContact CB-CB 4.04Å; M17-L273 PolarHBondContact N-O 3.05Å; M17-L273 PolarHBondContact O-N 3.29Å
18	T	83.2	Confident	80.8	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146	-178.9	60.7	0	0	0	0	111.9	V16 P24 R25 A26 I28 N270	V16-T18 HydrophobicContact CG1-CG2 4.43Å; T18-P24 CarbonylContact O-C 3.48Å; T18-P24 VanDerWaalsContact O-CA 3.32Å; T18-P24 WeakPolarHBondContact O-CA 3.25Å; T18-R25 PolarHBondContact O-N 2.63Å; T18-A26 PolarHBondContact N-O 3.09Å; T18-A26 PolarHBondContact OG1-N 3Å; T18-A26 PolarHBondContact OG1-O 3.48Å; T18-I28 HydrophobicContact CG2-CD1 3.53Å; T18-I28 HydrophobicContact CG2-CG1 4.23Å; T18-N270 CarbonylContact C-O 3.59Å; T18-N270 VanDerWaalsContact CA-O 3.23Å; T18-N270 WeakPolarHBondContact CA-O 3.3Å
19	R	78.8	Confident	80.8	Confident	132 Å²	132	61.5 Å²	61.5	50%	0.498	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.9	172.4	78	-169.1	-172.3	177	-2.7	110.4	A269 N270 I272	R19-A269 VanDerWaalsContact CD-O 3.31Å; R19-A269 WeakPolarHBondContact CD-O 2.99Å; R19-A269 PolarHBondContact NE-O 3.16Å; R19-A269 PolarHBondContact NH1-O 2.74Å; R19-A269 PolarHBondContact NH2-O 2.69Å; R19-N270 HydrophobicContact CG-CB 4.43Å; R19-N270 PolarHBondContact N-O 3.21Å; R19-N270 PolarHBondContact NE-OD1 2.83Å; R19-I272 HydrophobicContact CB-CD1 3.81Å; R19-I272 HydrophobicContact CB-CG1 3.63Å
20	G	70.2	Confident	80.7	Confident	30 Å²	30	56.2 Å²	56.2	31%	0.309	28%	0.276	S	S	.	.			trans	-100.1	-167.7	157.7	0	0	0	0	0	110.4	K22 E23	G20-K22 PolarHBondContact O-N 3.35Å; G20-E23 CarbonylContact C-O 3.53Å; G20-E23 WeakPolarHBondContact CA-O 3.33Å; G20-E23 PolarHBondContact N-O 2.58Å
21	L	65.5	Low	80.7	Confident	142 Å²	142	52.3 Å²	52.3	74%	0.743	26%	0.255	S	S	*	.	S	Bend	trans	-59.2	-44.7	-171.8	-64.7	169.3	0	0	0	113.9
22	K	65	Low	80.9	Confident	180 Å²	180	45.6 Å²	45.6	78%	0.783	22%	0.224	S	C	*	.	S	Bend	trans	-125.1	-12.9	-177.9	-68.6	-179	178.5	173.9	0	113.1	G20	G20-K22 PolarHBondContact O-N 3.35Å
23	E	66.3	Low	81.2	Confident	54 Å²	54	47.5 Å²	47.5	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-146.2	163.3	-168.3	-79.1	144.2	-117.3	0	0	111.7	G20 R25 L53 L58	G20-E23 CarbonylContact C-O 3.53Å; G20-E23 WeakPolarHBondContact CA-O 3.33Å; G20-E23 PolarHBondContact N-O 2.58Å; E23-R25 PolarHBondContact O-N 2.85Å; E23-L53 HydrophobicContact CB-CD1 4.07Å; E23-L53 HydrophobicContact CG-CD1 3.76Å; E23-L53 WeakPolarHBondContact OE2-CD1 3.48Å; E23-L58 HydrophobicContact CG-CD2 3.75Å; E23-L58 WeakPolarHBondContact OE1-CD1 3.39Å; E23-L58 WeakPolarHBondContact OE1-CD2 3.2Å; E23-L58 WeakPolarHBondContact OE1-CG 3.49Å; E23-L58 WeakPolarHBondContact OE2-CD1 3.47Å; E23-L58 WeakPolarHBondContact OE2-CD2 3.1Å
24	P	71.3	Confident	81.3	Confident	38 Å²	38	45.5 Å²	45.5	25%	0.247	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	127.6	163.1	-18.8	31	0	0	0	110.6	M17 T18 I272	M17-P24 HydrophobicContact CE-CB 3.27Å; M17-P24 HydrophobicContact CE-CG 3.55Å; M17-P24 HydrophobicContact CG-CB 4.14Å; M17-P24 HydrophobicContact SD-CB 4.08Å; M17-P24 HydrophobicContact SD-CG 4.28Å; T18-P24 CarbonylContact O-C 3.48Å; T18-P24 VanDerWaalsContact O-CA 3.32Å; T18-P24 WeakPolarHBondContact O-CA 3.25Å; P24-I272 HydrophobicContact CB-CD1 3.86Å; P24-I272 HydrophobicContact CG-CD1 3.91Å
25	R	75.4	Confident	81.4	Confident	103 Å²	103	47.5 Å²	47.5	39%	0.389	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-53.5	-178.3	173.1	-175.9	157.9	-151.8	-11.6	111	T18 E23 E48 V51 S219	T18-R25 PolarHBondContact O-N 2.63Å; E23-R25 PolarHBondContact O-N 2.85Å; R25-E48 IonicContact CZ-OE1 3.56Å; R25-E48 IonicContact NE-OE1 3.81Å; R25-E48 IonicContact NH2-OE1 3.18Å; R25-E48 PolarHBondContact NH2-OE1 2.78Å; R25-V51 PolarHBondContact O-N 3.34Å; R25-S219 PolarHBondContact NH1-OG 2.85Å
26	A	76.8	Confident	81.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.7	-173.1	0	0	0	0	0	111.3	T18 I28 E48 Y49	T18-A26 PolarHBondContact N-O 3.09Å; T18-A26 PolarHBondContact OG1-N 3Å; T18-A26 PolarHBondContact OG1-O 3.48Å; A26-I28 HydrophobicContact CB-CG1 4.46Å; A26-E48 HydrophobicContact CB-CG 3.76Å; A26-E48 WeakPolarHBondContact CB-OE1 3.37Å; A26-Y49 CarbonylContact C-O 3.52Å; A26-Y49 VanDerWaalsContact CA-O 3.23Å; A26-Y49 WeakPolarHBondContact CA-O 3.05Å; A26-Y49 WeakPolarHBondContact CB-O 3.27Å
27	S	81.3	Confident	81.6	Confident	20 Å²	20	57.3 Å²	57.3	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.3	163.6	-174.9	0	0	0	0	107.6	M15 V16 Y49	M15-S27 VanDerWaalsContact CG-OG 3.23Å; M15-S27 WeakPolarHBondContact CG-OG 3.37Å; M15-S27 PolarHBondContact SD-OG 3.23Å; V16-S27 CarbonylContact O-C 3.48Å; V16-S27 WeakPolarHBondContact O-CA 2.99Å; S27-Y49 PolarHBondContact N-O 3.3Å; S27-Y49 PolarHBondContact O-N 3.17Å
28	I	86.2	Confident	81.8	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.056	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.4	-175.7	-58.9	177.3	0	0	0	107.5	M15 V16 T18 A26 L43 V46 T47 E48 L264 I266	M15-I28 CarbonylContact C-O 3.59Å; M15-I28 VanDerWaalsContact CA-O 3.32Å; M15-I28 WeakPolarHBondContact CA-O 3.42Å; V16-I28 HydrophobicContact CB-CB 4.39Å; V16-I28 PolarHBondContact N-O 2.85Å; V16-I28 PolarHBondContact O-N 3.05Å; T18-I28 HydrophobicContact CG2-CD1 3.53Å; T18-I28 HydrophobicContact CG2-CG1 4.23Å; A26-I28 HydrophobicContact CB-CG1 4.46Å; I28-L43 HydrophobicContact CG2-CD1 3.88Å; I28-V46 HydrophobicContact CG2-CG1 3.24Å; I28-T47 CarbonylContact C-O 3.53Å; I28-T47 WeakPolarHBondContact CA-O 3.23Å; I28-E48 HydrophobicContact CG1-CG 4.28Å; I28-L264 HydrophobicContact CD1-CD2 4.12Å; I28-L264 HydrophobicContact CG2-CD2 4.01Å; I28-I266 HydrophobicContact CD1-CD1 3.82Å; I28-I266 HydrophobicContact CD1-CG1 4.48Å; I28-I266 HydrophobicContact CG2-CD1 4.24Å
29	I	87.9	Confident	82.1	Confident	30 Å²	30	65.6 Å²	65.6	15%	0.154	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.2	174.8	-58.4	-179.2	0	0	0	108.5	I14 M15 V46 T47 Y49 I277	I14-I29 VanDerWaalsContact O-CA 3.28Å; I14-I29 WeakPolarHBondContact O-CA 3.44Å; M15-I29 HydrophobicContact CB-CG1 4.15Å; M15-I29 HydrophobicContact CG-CD1 4.48Å; M15-I29 HydrophobicContact CG-CG1 3.96Å; I29-V46 CarbonylContact O-C 3.57Å; I29-V46 VanDerWaalsContact O-CA 3.31Å; I29-V46 WeakPolarHBondContact O-CA 3.3Å; I29-T47 PolarHBondContact N-O 2.88Å; I29-T47 PolarHBondContact O-N 3.42Å; I29-Y49 HydrophobicContact CD1-CD2 4.31Å; I29-Y49 HydrophobicContact CD1-CE2 3.73Å; I29-Y49 HydrophobicContact CG1-CD2 4.43Å; I29-Y49 HydrophobicContact CG1-CE2 4.1Å; I29-I277 HydrophobicContact CD1-CD1 4.13Å; I29-I277 HydrophobicContact CG1-CD1 4.37Å; I29-I277 HydrophobicContact CG2-CD1 3.74Å
30	G	87.5	Confident	82.6	Confident	1 Å²	1	61 Å²	61	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	169.8	177	0	0	0	0	0	112.6	I14	I14-G30 PolarHBondContact N-O 3.49Å; I14-G30 PolarHBondContact O-N 2.83Å
31	N	90	Very high	83.6	Confident	35 Å²	35	59.5 Å²	59.5	19%	0.187	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.2	177.7	-66.8	-1.6	0	0	0	109.6	Q13 V33 L43 K44	Q13-N31 WeakPolarHBondContact CG-OD1 3.27Å; N31-V33 PolarHBondContact O-N 2.72Å; N31-L43 CarbonylContact O-C 3.52Å; N31-L43 VanDerWaalsContact O-CA 3.27Å; N31-L43 WeakPolarHBondContact O-CA 3.4Å; N31-K44 PolarHBondContact N-O 2.88Å; N31-K44 PolarHBondContact O-N 3.49Å
32	L	91.1	Very high	84.8	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118	179.3	-176.9	62.6	0	0	0	111	L4 M8 I14 A34 F35 L41 L43	L4-L32 HydrophobicContact CB-CD2 4.18Å; L4-L32 HydrophobicContact CD2-CD2 3.94Å; M8-L32 HydrophobicContact CB-CD2 4.1Å; M8-L32 HydrophobicContact CB-CG 4.26Å; I14-L32 HydrophobicContact CD1-CB 4.09Å; I14-L32 HydrophobicContact CD1-CD1 3.98Å; I14-L32 HydrophobicContact CD1-CD2 4.42Å; I14-L32 HydrophobicContact CD1-CG 4.39Å; I14-L32 HydrophobicContact CG1-CB 4.33Å; I14-L32 HydrophobicContact CG2-CB 4.23Å; L32-A34 WeakPolarHBondContact CD1-O 3.32Å; L32-F35 HydrophobicContact CD1-CB 4.44Å; L32-F35 HydrophobicContact CD2-CD1 4.01Å; L32-L41 HydrophobicContact CD1-CB 4.29Å; L32-L41 HydrophobicContact CD1-CD2 4.1Å; L32-L43 HydrophobicContact CB-CD2 4.43Å; L32-L43 HydrophobicContact CD1-CD2 3.83Å
33	V	89.7	Confident	85.9	Confident	60 Å²	60	46 Å²	46	36%	0.364	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-46.8	178	179.7	0	0	0	0	111	M8 N31 I42 K44	M8-V33 VanDerWaalsContact CG-O 3.3Å; M8-V33 WeakPolarHBondContact CG-O 3.45Å; N31-V33 PolarHBondContact O-N 2.72Å; V33-I42 HydrophobicContact CB-CB 4.26Å; V33-I42 HydrophobicContact CB-CG2 3.99Å; V33-I42 WeakPolarHBondContact CB-O 3.22Å; V33-I42 HydrophobicContact CG1-CG2 4.36Å; V33-I42 HydrophobicContact CG2-CG2 4.47Å; V33-I42 PolarHBondContact N-O 3.1Å; V33-K44 HydrophobicContact CG2-CB 3.57Å
34	A	91	Very high	86.9	Confident	34 Å²	34	45.6 Å²	45.6	28%	0.281	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.8	-179.3	0	0	0	0	0	111	L32 I42	L32-A34 WeakPolarHBondContact CD1-O 3.32Å; A34-I42 HydrophobicContact CB-CB 4.19Å; A34-I42 HydrophobicContact CB-CD1 4.11Å; A34-I42 HydrophobicContact CB-CG1 4.29Å; A34-I42 PolarHBondContact N-O 3.27Å; A34-I42 PolarHBondContact O-N 3.48Å
35	F	92.4	Very high	87.5	Confident	42 Å²	42	48.5 Å²	48.5	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.7	169.3	67.7	-80.6	0	0	0	110.9	M1 L4 W5 M8 L32 N40 L41	M1-F35 HydrophobicContact CE-CD2 4.01Å; M1-F35 HydrophobicContact CE-CE2 3.57Å; M1-F35 HydrophobicContact SD-CD2 4.16Å; M1-F35 HydrophobicContact SD-CE2 3.69Å; L4-F35 HydrophobicContact CB-CD1 4.26Å; L4-F35 HydrophobicContact CB-CE1 4.03Å; L4-F35 HydrophobicContact CB-CE2 4.32Å; L4-F35 HydrophobicContact CB-CZ 4.06Å; L4-F35 HydrophobicContact CD1-CD2 4.47Å; W5-F35 HydrophobicContact CB-CE1 4.4Å; W5-F35 HydrophobicContact CB-CZ 4.1Å; W5-F35 HydrophobicContact CE3-CE1 4.21Å; W5-F35 HydrophobicContact CE3-CZ 4.16Å; M8-F35 HydrophobicContact CB-CE1 4.36Å; M8-F35 HydrophobicContact SD-CD1 3.95Å; M8-F35 HydrophobicContact SD-CE1 3.92Å; L32-F35 HydrophobicContact CD1-CB 4.44Å; L32-F35 HydrophobicContact CD2-CD1 4.01Å; F35-N40 WeakPolarHBondContact CA-O 3.43Å; F35-L41 HydrophobicContact CB-CD2 3.61Å
36	D	90.4	Very high	88	Confident	56 Å²	56	45.9 Å²	45.9	30%	0.299	22%	0.222	S	C	.	.			trans	-121.7	-177.2	176.8	74	8.5	0	0	0	113.1	Y38 W39 N40	D36-Y38 PolarHBondContact O-N 3.05Å; D36-Y38 WeakPolarHBondContact OD1-CA 3.32Å; D36-Y38 WeakPolarHBondContact OD1-CB 3.43Å; D36-Y38 PolarHBondContact OD1-N 3.01Å; D36-W39 PolarHBondContact O-N 3.28Å; D36-W39 PolarHBondContact OD1-N 2.96Å; D36-W39 VanDerWaalsContact OD1-N 3.09Å; D36-N40 PolarHBondContact N-O 2.92Å; D36-N40 VanDerWaalsContact N-O 3.17Å; D36-N40 WeakPolarHBondContact OD1-CB 3.28Å; D36-N40 PolarHBondContact OD1-N 3.04Å; D36-N40 PolarHBondContact OD1-ND2 2.81Å; D36-N40 WeakPolarHBondContact OD2-CB 3.31Å; D36-N40 PolarHBondContact OD2-ND2 3.44Å
37	R	89.4	Confident	88.1	Confident	199 Å²	199	49 Å²	49	75%	0.751	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.7	178.3	-172.6	-179.8	-73.9	-178.2	-2.5	112.9	W39	R37-W39 VanDerWaalsContact C-N 3.3Å
38	Y	88.8	Confident	88.2	Confident	176 Å²	176	52 Å²	52	69%	0.69	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	10	-180	-58.3	-67	0	0	0	112.8	D36 N40 G268	D36-Y38 PolarHBondContact O-N 3.05Å; D36-Y38 WeakPolarHBondContact OD1-CA 3.32Å; D36-Y38 WeakPolarHBondContact OD1-CB 3.43Å; D36-Y38 PolarHBondContact OD1-N 3.01Å; Y38-N40 PolarHBondContact O-N 2.86Å; Y38-G268 WeakPolarHBondContact O-CA 3.16Å
39	W	88.5	Confident	87.7	Confident	31 Å²	31	57.7 Å²	57.7	12%	0.117	27%	0.274	C	S	.	.			trans	62.2	21.7	-175.9	-56.6	87	0	0	0	113.4	M1 L4 D36 R37 L41 I114 L117 G268 I271 I274	M1-W39 HydrophobicContact SD-CH2 4.49Å; M1-W39 HydrophobicContact SD-CZ2 4.48Å; L4-W39 HydrophobicContact CD1-CE3 3.89Å; L4-W39 HydrophobicContact CD1-CH2 4.42Å; L4-W39 HydrophobicContact CD1-CZ3 3.44Å; L4-W39 VanDerWaalsContact CD1-CZ3 3.44Å; D36-W39 PolarHBondContact O-N 3.28Å; D36-W39 PolarHBondContact OD1-N 2.96Å; D36-W39 VanDerWaalsContact OD1-N 3.09Å; R37-W39 VanDerWaalsContact C-N 3.3Å; W39-L41 PolarHBondContact O-N 2.81Å; W39-I114 HydrophobicContact CB-CD1 4.35Å; W39-I114 HydrophobicContact CD2-CD1 3.68Å; W39-I114 HydrophobicContact CD2-CG1 3.85Å; W39-I114 HydrophobicContact CE3-CD1 4.14Å; W39-I114 HydrophobicContact CE3-CG1 4.2Å; W39-I114 HydrophobicContact CG-CD1 3.74Å; W39-I114 HydrophobicContact CG-CG1 4.36Å; W39-I114 HydrophobicContact CH2-CG1 4.05Å; W39-I114 HydrophobicContact CZ2-CB 4.23Å; W39-I114 HydrophobicContact CZ2-CD1 4.49Å; W39-I114 HydrophobicContact CZ2-CG1 3.74Å; W39-I114 HydrophobicContact CZ2-CG2 4.03Å; W39-I114 HydrophobicContact CZ3-CG1 4.27Å; W39-I114 VanDerWaalsContact NE1-CG2 3.29Å; W39-L117 HydrophobicContact CH2-CD1 4.16Å; W39-L117 HydrophobicContact CZ2-CD1 4.19Å; W39-G268 WeakPolarHBondContact O-CA 3.48Å; W39-G268 PolarHBondContact O-N 2.83Å; W39-I271 WeakPolarHBondContact O-CD1 3.14Å; W39-I274 HydrophobicContact CE3-CD1 3.65Å; W39-I274 HydrophobicContact CZ3-CD1 3.96Å
40	N	90.4	Very high	87	Confident	34 Å²	34	61 Å²	61	18%	0.182	30%	0.3	C	S	.	.			trans	-68.6	134.3	166.2	-57.1	-45.1	0	0	0	108.1	F35 D36 Y38 F265 I266 R267 G268	F35-N40 WeakPolarHBondContact CA-O 3.43Å; D36-N40 PolarHBondContact N-O 2.92Å; D36-N40 VanDerWaalsContact N-O 3.17Å; D36-N40 WeakPolarHBondContact OD1-CB 3.28Å; D36-N40 PolarHBondContact OD1-N 3.04Å; D36-N40 PolarHBondContact OD1-ND2 2.81Å; D36-N40 WeakPolarHBondContact OD2-CB 3.31Å; D36-N40 PolarHBondContact OD2-ND2 3.44Å; Y38-N40 PolarHBondContact O-N 2.86Å; N40-F265 HydrophobicContact CB-CE2 3.75Å; N40-F265 HydrophobicContact CB-CZ 3.86Å; N40-I266 CarbonylContact C-O 3.53Å; N40-I266 VanDerWaalsContact CA-O 3.23Å; N40-I266 WeakPolarHBondContact CA-O 3.21Å; N40-R267 VanDerWaalsContact OD1-CA 3.3Å; N40-R267 WeakPolarHBondContact OD1-CA 3.47Å; N40-G268 PolarHBondContact OD1-N 3.4Å
41	L	91.1	Very high	85.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.7	-177	-52	179.3	0	0	0	109.8	I14 V16 L32 F35 W39 L43 F265 I266 I271 I274	I14-L41 HydrophobicContact CD1-CD1 4.07Å; V16-L41 HydrophobicContact CG1-CD1 4.29Å; V16-L41 HydrophobicContact CG2-CD1 3.65Å; L32-L41 HydrophobicContact CD1-CB 4.29Å; L32-L41 HydrophobicContact CD1-CD2 4.1Å; F35-L41 HydrophobicContact CB-CD2 3.61Å; W39-L41 PolarHBondContact O-N 2.81Å; L41-L43 HydrophobicContact CB-CD2 4.24Å; L41-F265 CarbonylContact O-C 3.57Å; L41-F265 WeakPolarHBondContact O-CA 3.31Å; L41-I266 HydrophobicContact CB-CB 4.39Å; L41-I266 PolarHBondContact N-O 3.47Å; L41-I266 PolarHBondContact O-N 3.29Å; L41-I271 HydrophobicContact CD1-CD1 3.48Å; L41-I271 VanDerWaalsContact CD1-CD1 3.48Å; L41-I271 HydrophobicContact CG-CD1 3.69Å; L41-I274 HydrophobicContact CD1-CD1 3.88Å; L41-I274 HydrophobicContact CD1-CG1 4.31Å; L41-I274 HydrophobicContact CD2-CD1 4.35Å
42	I	89.4	Confident	84.3	Confident	38 Å²	38	69.7 Å²	69.7	20%	0.195	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.9	165.5	-57.4	-177.4	0	0	0	107.1	V33 A34 Q263 L264 F265	V33-I42 HydrophobicContact CB-CB 4.26Å; V33-I42 HydrophobicContact CB-CG2 3.99Å; V33-I42 WeakPolarHBondContact CB-O 3.22Å; V33-I42 HydrophobicContact CG1-CG2 4.36Å; V33-I42 HydrophobicContact CG2-CG2 4.47Å; V33-I42 PolarHBondContact N-O 3.1Å; A34-I42 HydrophobicContact CB-CB 4.19Å; A34-I42 HydrophobicContact CB-CD1 4.11Å; A34-I42 HydrophobicContact CB-CG1 4.29Å; A34-I42 PolarHBondContact N-O 3.27Å; A34-I42 PolarHBondContact O-N 3.48Å; I42-Q263 HydrophobicContact CG2-CB 3.97Å; I42-Q263 HydrophobicContact CG2-CG 4.41Å; I42-L264 CarbonylContact C-O 3.59Å; I42-L264 WeakPolarHBondContact CA-O 3.44Å; I42-F265 HydrophobicContact CG1-CD2 4.13Å
43	L	88.4	Confident	82.6	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.4	179.4	-52.4	-174.7	0	0	0	111.1	I14 V16 I28 N31 L32 L41 V46 Q263 L264 I266	I14-L43 HydrophobicContact CD1-CD2 3.63Å; I14-L43 HydrophobicContact CG1-CD2 3.84Å; V16-L43 HydrophobicContact CG2-CD1 4.13Å; I28-L43 HydrophobicContact CG2-CD1 3.88Å; N31-L43 CarbonylContact O-C 3.52Å; N31-L43 VanDerWaalsContact O-CA 3.27Å; N31-L43 WeakPolarHBondContact O-CA 3.4Å; L32-L43 HydrophobicContact CB-CD2 4.43Å; L32-L43 HydrophobicContact CD1-CD2 3.83Å; L41-L43 HydrophobicContact CB-CD2 4.24Å; L43-V46 HydrophobicContact CB-CG2 3.5Å; L43-Q263 CarbonylContact O-C 3.49Å; L43-Q263 VanDerWaalsContact O-CA 3.27Å; L43-Q263 WeakPolarHBondContact O-CA 3.29Å; L43-L264 PolarHBondContact N-O 3.41Å; L43-L264 PolarHBondContact O-N 3.4Å; L43-I266 HydrophobicContact CD1-CD1 3.55Å; L43-I266 HydrophobicContact CG-CD1 4.16Å
44	K	87.4	Confident	80.8	Confident	45 Å²	45	73.2 Å²	73.2	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.9	172.4	174.8	178.5	165.4	-175.4	0	110	N31 V33 E261	N31-K44 PolarHBondContact N-O 2.88Å; N31-K44 PolarHBondContact O-N 3.49Å; V33-K44 HydrophobicContact CG2-CB 3.57Å; K44-E261 HydrophobicContact CD-CB 4.41Å; K44-E261 WeakPolarHBondContact CE-OE1 3.49Å; K44-E261 WeakPolarHBondContact CE-OE2 3.5Å; K44-E261 IonicContact NZ-OE1 2.63Å; K44-E261 PolarHBondContact NZ-OE1 2.82Å; K44-E261 IonicContact NZ-OE2 2.58Å; K44-E261 PolarHBondContact NZ-OE2 2.85Å
45	N	85.4	Confident	78.7	Confident	99 Å²	99	80 Å²	80	53%	0.529	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.8	56	179.1	-63.2	-13.8	0	0	0	112.3
46	V	84.1	Confident	76.5	Confident	49 Å²	49	82.3 Å²	82.3	30%	0.297	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	-165.6	-177.3	0	0	0	0	112.5	I28 I29 L43 L264	I28-V46 HydrophobicContact CG2-CG1 3.24Å; I29-V46 CarbonylContact O-C 3.57Å; I29-V46 VanDerWaalsContact O-CA 3.31Å; I29-V46 WeakPolarHBondContact O-CA 3.3Å; L43-V46 HydrophobicContact CB-CG2 3.5Å; V46-L264 HydrophobicContact CB-CB 4.45Å; V46-L264 HydrophobicContact CG1-CD2 3.77Å; V46-L264 HydrophobicContact CG2-CB 3.82Å; V46-L264 HydrophobicContact CG2-CD2 4.47Å
47	T	80.8	Confident	74.4	Confident	64 Å²	64	81 Å²	81	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.5	169	56.9	0	0	0	0	110.2	I28 I29	I28-T47 CarbonylContact C-O 3.53Å; I28-T47 WeakPolarHBondContact CA-O 3.23Å; I29-T47 PolarHBondContact N-O 2.88Å; I29-T47 PolarHBondContact O-N 3.42Å
48	E	83.1	Confident	72.3	Confident	84 Å²	84	74.9 Å²	74.9	39%	0.393	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.3	177.8	-174.8	178.8	175.6	0	0	110.4	R25 A26 I28	R25-E48 IonicContact CZ-OE1 3.56Å; R25-E48 IonicContact NE-OE1 3.81Å; R25-E48 IonicContact NH2-OE1 3.18Å; R25-E48 PolarHBondContact NH2-OE1 2.78Å; A26-E48 HydrophobicContact CB-CG 3.76Å; A26-E48 WeakPolarHBondContact CB-OE1 3.37Å; I28-E48 HydrophobicContact CG1-CG 4.28Å
49	Y	76	Confident	70.1	Confident	131 Å²	131	74 Å²	74	51%	0.514	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.1	171.1	-59.2	-85.4	0	0	0	109.1	A26 S27 I29	A26-Y49 CarbonylContact C-O 3.52Å; A26-Y49 VanDerWaalsContact CA-O 3.23Å; A26-Y49 WeakPolarHBondContact CA-O 3.05Å; A26-Y49 WeakPolarHBondContact CB-O 3.27Å; S27-Y49 PolarHBondContact N-O 3.3Å; S27-Y49 PolarHBondContact O-N 3.17Å; I29-Y49 HydrophobicContact CD1-CD2 4.31Å; I29-Y49 HydrophobicContact CD1-CE2 3.73Å; I29-Y49 HydrophobicContact CG1-CD2 4.43Å; I29-Y49 HydrophobicContact CG1-CE2 4.1Å
50	S	72.7	Confident	68.2	Low	100 Å²	100	75.3 Å²	75.3	70%	0.699	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.9	174.5	62	0	0	0	0	110.7	H52	S50-H52 PolarHBondContact O-N 3.27Å
51	V	61.5	Low	66.2	Low	51 Å²	51	80.4 Å²	80.4	31%	0.309	44%	0.436	S	S	.	.			trans	-92.7	95.8	177.6	-176.3	0	0	0	0	108	R25 L53	R25-V51 PolarHBondContact O-N 3.34Å; V51-L53 HydrophobicContact CG1-CD2 4.46Å; V51-L53 HydrophobicContact CG1-CG 4.09Å; V51-L53 PolarHBondContact O-N 3.21Å
52	H	58	Low	64.1	Low	167 Å²	167	82 Å²	82	77%	0.773	45%	0.452	S	S	*	.			trans	-83.3	95.8	174.4	-153.2	77.2	0	0	0	110.1	S50	S50-H52 PolarHBondContact O-N 3.27Å
53	L	56.4	Low	62.1	Low	62 Å²	62	88.4 Å²	88.4	33%	0.325	48%	0.479	S	S	.	.			trans	-81	131.2	170.4	-70.9	168.9	0	0	0	109.3	E23 V51 K55 L58	E23-L53 HydrophobicContact CB-CD1 4.07Å; E23-L53 HydrophobicContact CG-CD1 3.76Å; E23-L53 WeakPolarHBondContact OE2-CD1 3.48Å; V51-L53 HydrophobicContact CG1-CD2 4.46Å; V51-L53 HydrophobicContact CG1-CG 4.09Å; V51-L53 PolarHBondContact O-N 3.21Å; L53-K55 PolarHBondContact O-N 2.84Å; L53-L58 HydrophobicContact CB-CD2 4.5Å
54	P	51.2	Low	60.2	Low	76 Å²	76	94.9 Å²	94.9	49%	0.494	52%	0.521	S	S	.	.			trans	-59	133	175.2	23.6	-31.8	0	0	0	109.1	S56 A57	P54-S56 PolarHBondContact O-N 2.77Å; P54-A57 HydrophobicContact CG-CB 4.37Å; P54-A57 VanDerWaalsContact O-CB 3.23Å; P54-A57 WeakPolarHBondContact O-CB 3.38Å; P54-A57 PolarHBondContact O-N 2.67Å
55	K	48.3	Very low	58.7	Low	175 Å²	175	95.5 Å²	95.5	76%	0.761	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-52.2	-24.4	-178.3	-64	179.1	-178.3	176.9	0	113.3	L53 A57 L58 K59	L53-K55 PolarHBondContact O-N 2.84Å; K55-A57 VanDerWaalsContact C-N 3.32Å; K55-A57 PolarHBondContact O-N 3.32Å; K55-L58 WeakPolarHBondContact O-CB 3.42Å; K55-L58 PolarHBondContact O-N 2.96Å; K55-K59 PolarHBondContact O-N 3.13Å
56	S	45.5	Very low	57.2	Low	91 Å²	91	99.5 Å²	99.5	64%	0.636	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27	174.1	59.5	0	0	0	0	113.8	P54 L58	P54-S56 PolarHBondContact O-N 2.77Å; S56-L58 PolarHBondContact O-N 2.78Å
57	A	45.9	Very low	55.9	Low	28 Å²	28	101 Å²	101	23%	0.231	56%	0.56	C	S	.	*	G	3₁₀ helix	trans	-65	-22.9	170.1	0	0	0	0	0	111.2	P54 K55 R74	P54-A57 HydrophobicContact CG-CB 4.37Å; P54-A57 VanDerWaalsContact O-CB 3.23Å; P54-A57 WeakPolarHBondContact O-CB 3.38Å; P54-A57 PolarHBondContact O-N 2.67Å; K55-A57 VanDerWaalsContact C-N 3.32Å; K55-A57 PolarHBondContact O-N 3.32Å; A57-R74 PolarHBondContact O-NH1 2.89Å; A57-R74 PolarHBondContact O-NH2 3.21Å
58	L	45.3	Very low	54.9	Low	72 Å²	72	103.7 Å²	103.7	38%	0.377	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	-15.8	-168.2	-46.2	176.8	0	0	0	113.3	E23 L53 K55 S56 G60	E23-L58 HydrophobicContact CG-CD2 3.75Å; E23-L58 WeakPolarHBondContact OE1-CD1 3.39Å; E23-L58 WeakPolarHBondContact OE1-CD2 3.2Å; E23-L58 WeakPolarHBondContact OE1-CG 3.49Å; E23-L58 WeakPolarHBondContact OE2-CD1 3.47Å; E23-L58 WeakPolarHBondContact OE2-CD2 3.1Å; L53-L58 HydrophobicContact CB-CD2 4.5Å; K55-L58 WeakPolarHBondContact O-CB 3.42Å; K55-L58 PolarHBondContact O-N 2.96Å; S56-L58 PolarHBondContact O-N 2.78Å; L58-G60 PolarHBondContact O-N 3.04Å
59	K	43.2	Very low	54.1	Low	157 Å²	157	106.6 Å²	106.6	68%	0.683	58%	0.578	S	S	*	*			trans	-69.7	95.8	168.8	-83.6	-176.6	172	-178.9	0	110.1	K55 N61 R70	K55-K59 PolarHBondContact O-N 3.13Å; K59-N61 PolarHBondContact O-N 2.8Å; K59-R70 PolarHBondContact O-NH1 2.86Å
60	G	47.4	Very low	53.5	Low	58 Å²	58	105.7 Å²	105.7	60%	0.598	57%	0.574	S	S	*	*			trans	-77.8	97.8	166.3	0	0	0	0	0	110.5	L58 G62	L58-G60 PolarHBondContact O-N 3.04Å; G60-G62 PolarHBondContact O-N 2.88Å
61	N	49.6	Very low	52.7	Low	142 Å²	142	109.4 Å²	109.4	76%	0.759	57%	0.572	S	S	*	*			trans	-75.3	32.5	169.5	-60.1	8.5	0	0	0	111.8	K59	K59-N61 PolarHBondContact O-N 2.8Å
62	G	47.6	Very low	53	Low	33 Å²	33	111.3 Å²	111.3	34%	0.34	58%	0.578	S	S	.	*			trans	-110.4	120.5	-166.7	0	0	0	0	0	111.9	G60	G60-G62 PolarHBondContact O-N 2.88Å
63	K	47.5	Very low	53.7	Low	173 Å²	173	108.7 Å²	108.7	75%	0.752	57%	0.566	S	S	*	*			trans	-43.4	146.1	161.4	-64.6	-177	176.6	-174.5	0	110.3	G65 R66	K63-G65 PolarHBondContact O-N 2.88Å; K63-G65 VanDerWaalsContact O-N 3.16Å; K63-R66 WeakPolarHBondContact O-CB 3.36Å; K63-R66 PolarHBondContact O-N 3.15Å
64	P	47.6	Very low	54.2	Low	136 Å²	136	110.6 Å²	110.6	88%	0.883	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	125.8	176.6	18.2	-29.5	0	0	0	109.6
65	G	54.9	Low	54.7	Low	58 Å²	58	111.6 Å²	111.6	60%	0.598	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.6	-30.6	-172.1	0	0	0	0	0	116.2	K63 S67	K63-G65 PolarHBondContact O-N 2.88Å; K63-G65 VanDerWaalsContact O-N 3.16Å; G65-S67 VanDerWaalsContact C-N 3.29Å; G65-S67 PolarHBondContact O-N 3.47Å
66	R	54.4	Low	55.9	Low	182 Å²	182	110.9 Å²	110.9	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-68	-29.5	173.4	-94.4	-169.3	173.3	-169.4	-1.3	112.6	K63 K68 R70	K63-R66 WeakPolarHBondContact O-CB 3.36Å; K63-R66 PolarHBondContact O-N 3.15Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 3.46Å; R66-R70 WeakPolarHBondContact O-CB 3.46Å; R66-R70 PolarHBondContact O-N 3.47Å; R66-R70 VanDerWaalsContact O-N 3.11Å
67	S	58.2	Low	57.1	Low	80 Å²	80	113.2 Å²	113.2	56%	0.559	56%	0.561	S	S	*	*	H	α-helix	trans	-61.3	-40	-179.7	-173	0	0	0	0	112.1	G65 R70 R71	G65-S67 VanDerWaalsContact C-N 3.29Å; G65-S67 PolarHBondContact O-N 3.47Å; S67-R70 PolarHBondContact O-N 2.77Å; S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 2.73Å
68	K	58.1	Low	57.8	Low	122 Å²	122	116.5 Å²	116.5	53%	0.53	57%	0.57	S	S	.	*	H	α-helix	trans	-60.7	-54	178.9	-172.2	175.7	179.1	177.3	0	111.7	R66 R70 R71 E72	R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 3.46Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.83Å; K68-R71 PolarHBondContact O-N 3.49Å; K68-R71 VanDerWaalsContact O-N 3.17Å; K68-E72 WeakPolarHBondContact O-CG 3.23Å; K68-E72 PolarHBondContact O-N 2.81Å
69	K	66.3	Low	58.6	Low	145 Å²	145	117 Å²	117	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-61.3	-38.7	178.8	-167	173.9	-175.7	172.5	0	112.6	Q73	K69-Q73 WeakPolarHBondContact O-CB 3.49Å; K69-Q73 WeakPolarHBondContact O-CG 3.23Å; K69-Q73 PolarHBondContact O-N 3.47Å
70	R	63.2	Low	59.5	Low	112 Å²	112	117.6 Å²	117.6	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-72.5	-34.4	177.6	-160.6	178.7	-177.1	-161.9	-0.5	112	K59 R66 S67 K68 Q73 R74	K59-R70 PolarHBondContact O-NH1 2.86Å; R66-R70 WeakPolarHBondContact O-CB 3.46Å; R66-R70 PolarHBondContact O-N 3.47Å; R66-R70 VanDerWaalsContact O-N 3.11Å; S67-R70 PolarHBondContact O-N 2.77Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.83Å; R70-Q73 PolarHBondContact O-N 2.85Å; R70-R74 WeakPolarHBondContact O-CB 2.94Å; R70-R74 VanDerWaalsContact O-CG 3.29Å; R70-R74 WeakPolarHBondContact O-CG 3.37Å; R70-R74 PolarHBondContact O-N 3.11Å
71	R	57.1	Low	60.1	Low	178 Å²	178	119.9 Å²	119.9	67%	0.672	57%	0.567	S	S	*	*	H	α-helix	trans	-66.6	-45.3	174.7	-167.3	178	-163.7	166.2	5.6	110.8	S67 K68 Q73 R74 L75	S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 2.73Å; K68-R71 PolarHBondContact O-N 3.49Å; K68-R71 VanDerWaalsContact O-N 3.17Å; R71-Q73 VanDerWaalsContact C-N 3.35Å; R71-Q73 PolarHBondContact O-N 3.01Å; R71-R74 PolarHBondContact O-N 3.06Å; R71-L75 WeakPolarHBondContact O-CB 3.5Å; R71-L75 PolarHBondContact O-N 3.47Å
72	E	67.4	Low	60.3	Low	91 Å²	91	115.7 Å²	115.7	43%	0.425	55%	0.545	S	S	.	.	H	α-helix	trans	-59.4	-43.7	172.7	-73.7	169.6	-168.3	0	0	111.8	K68 R74 L75 R76	K68-E72 WeakPolarHBondContact O-CG 3.23Å; K68-E72 PolarHBondContact O-N 2.81Å; E72-R74 PolarHBondContact O-N 3.19Å; E72-L75 PolarHBondContact O-N 3.03Å; E72-R76 WeakPolarHBondContact O-CB 3.37Å; E72-R76 WeakPolarHBondContact O-CG 3.17Å; E72-R76 PolarHBondContact O-N 2.9Å
73	Q	73	Confident	60.6	Low	111 Å²	111	118.4 Å²	118.4	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-40.1	175	-79.5	-178.2	-5	0	0	112.9	K69 R70 R71 K77	K69-Q73 WeakPolarHBondContact O-CB 3.49Å; K69-Q73 WeakPolarHBondContact O-CG 3.23Å; K69-Q73 PolarHBondContact O-N 3.47Å; R70-Q73 PolarHBondContact O-N 2.85Å; R71-Q73 VanDerWaalsContact C-N 3.35Å; R71-Q73 PolarHBondContact O-N 3.01Å; Q73-K77 WeakPolarHBondContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CG 3.43Å; Q73-K77 PolarHBondContact O-N 3.18Å
74	R	66	Low	60.8	Low	102 Å²	102	112.3 Å²	112.3	39%	0.385	53%	0.533	S	S	.	.	H	α-helix	trans	-67.7	-40.3	176.5	-76.9	173.6	176.1	-174.3	-5.4	111.6	A57 R70 R71 E72 K77 F78	A57-R74 PolarHBondContact O-NH1 2.89Å; A57-R74 PolarHBondContact O-NH2 3.21Å; R70-R74 WeakPolarHBondContact O-CB 2.94Å; R70-R74 VanDerWaalsContact O-CG 3.29Å; R70-R74 WeakPolarHBondContact O-CG 3.37Å; R70-R74 PolarHBondContact O-N 3.11Å; R71-R74 PolarHBondContact O-N 3.06Å; E72-R74 PolarHBondContact O-N 3.19Å; R74-K77 PolarHBondContact O-N 2.95Å; R74-F78 WeakPolarHBondContact O-CB 3.38Å; R74-F78 PolarHBondContact O-N 3.14Å
75	L	62.1	Low	60.6	Low	98 Å²	98	111.5 Å²	111.5	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.1	-167.1	71.1	0	0	0	110.6	R71 E72 K77 F78 Q79	R71-L75 WeakPolarHBondContact O-CB 3.5Å; R71-L75 PolarHBondContact O-N 3.47Å; E72-L75 PolarHBondContact O-N 3.03Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.17Å; L75-F78 PolarHBondContact O-N 2.77Å; L75-Q79 WeakPolarHBondContact O-CB 3.45Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.1Å
76	R	72.9	Confident	60	Low	159 Å²	159	112 Å²	112	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-38.9	173.6	-74.3	-178.2	-177	-177.5	2.1	112.6	E72 R80	E72-R76 WeakPolarHBondContact O-CB 3.37Å; E72-R76 WeakPolarHBondContact O-CG 3.17Å; E72-R76 PolarHBondContact O-N 2.9Å; R76-R80 WeakPolarHBondContact O-CB 3.43Å; R76-R80 VanDerWaalsContact O-CG 3.23Å; R76-R80 WeakPolarHBondContact O-CG 3.49Å; R76-R80 PolarHBondContact O-N 2.74Å
77	K	71.7	Confident	59.4	Low	141 Å²	141	109.8 Å²	109.8	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-68.3	-39.7	174.6	-81.7	-171	176.6	-169.1	0	112.3	Q73 R74 L75 R80 N81	Q73-K77 WeakPolarHBondContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CG 3.43Å; Q73-K77 PolarHBondContact O-N 3.18Å; R74-K77 PolarHBondContact O-N 2.95Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.17Å; K77-R80 PolarHBondContact O-N 2.77Å; K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 VanDerWaalsContact O-CG 3.25Å; K77-N81 PolarHBondContact O-N 3.38Å; K77-N81 PolarHBondContact O-OD1 3.04Å
78	F	59.9	Low	58.6	Low	96 Å²	96	113 Å²	113	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-67.1	-44.2	177.9	-175.7	-104.6	0	0	0	111.2	M17 R74 L75 N81 N82	M17-F78 HydrophobicContact CE-CZ 3.99Å; R74-F78 WeakPolarHBondContact O-CB 3.38Å; R74-F78 PolarHBondContact O-N 3.14Å; L75-F78 PolarHBondContact O-N 2.77Å; F78-N81 PolarHBondContact O-N 3.47Å; F78-N82 WeakPolarHBondContact CD1-ND2 3.36Å; F78-N82 WeakPolarHBondContact CE1-ND2 3.35Å; F78-N82 VanDerWaalsContact CZ-ND2 3.3Å; F78-N82 WeakPolarHBondContact CZ-ND2 3.32Å; F78-N82 WeakPolarHBondContact O-CB 3.3Å; F78-N82 PolarHBondContact O-N 2.8Å; F78-N82 PolarHBondContact O-ND2 3.41Å
79	Q	62.4	Low	57.8	Low	84 Å²	84	112.1 Å²	112.1	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-57.8	-49.5	171.2	-74.2	171.2	-17.7	0	0	110.9	L75 N81 N82 D83	L75-Q79 WeakPolarHBondContact O-CB 3.45Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.1Å; Q79-N81 PolarHBondContact O-N 3.3Å; Q79-N82 PolarHBondContact O-N 3.02Å; Q79-D83 WeakPolarHBondContact O-CB 3.22Å; Q79-D83 PolarHBondContact O-N 2.8Å
80	R	62.4	Low	56.6	Low	169 Å²	169	113.4 Å²	113.4	64%	0.638	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-38.4	175.9	-76.4	176.4	-172.3	178	-0.1	114	R76 K77 D83 A84	R76-R80 WeakPolarHBondContact O-CB 3.43Å; R76-R80 VanDerWaalsContact O-CG 3.23Å; R76-R80 WeakPolarHBondContact O-CG 3.49Å; R76-R80 PolarHBondContact O-N 2.74Å; K77-R80 PolarHBondContact O-N 2.77Å; R80-D83 PolarHBondContact O-N 3.26Å; R80-A84 WeakPolarHBondContact O-CB 3.42Å; R80-A84 PolarHBondContact O-N 3.24Å
81	N	58.9	Low	55.1	Low	105 Å²	105	113.5 Å²	113.5	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-72	-36.5	179.2	-76.2	1.6	0	0	0	111.3	K77 F78 Q79 A84 L85	K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 VanDerWaalsContact O-CG 3.25Å; K77-N81 PolarHBondContact O-N 3.38Å; K77-N81 PolarHBondContact O-OD1 3.04Å; F78-N81 PolarHBondContact O-N 3.47Å; Q79-N81 PolarHBondContact O-N 3.3Å; N81-A84 PolarHBondContact O-N 2.86Å; N81-L85 WeakPolarHBondContact O-CB 3.5Å; N81-L85 PolarHBondContact O-N 2.77Å
82	N	55.2	Low	54.1	Low	55 Å²	55	109.3 Å²	109.3	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-48.5	170.1	-73.1	-33.9	0	0	0	109.7	F78 Q79 A84 L85 F86	F78-N82 WeakPolarHBondContact CD1-ND2 3.36Å; F78-N82 WeakPolarHBondContact CE1-ND2 3.35Å; F78-N82 VanDerWaalsContact CZ-ND2 3.3Å; F78-N82 WeakPolarHBondContact CZ-ND2 3.32Å; F78-N82 WeakPolarHBondContact O-CB 3.3Å; F78-N82 PolarHBondContact O-N 2.8Å; F78-N82 PolarHBondContact O-ND2 3.41Å; Q79-N82 PolarHBondContact O-N 3.02Å; N82-A84 VanDerWaalsContact C-N 3.28Å; N82-A84 PolarHBondContact O-N 3.27Å; N82-L85 CarbonylContact O-C 3.59Å; N82-L85 WeakPolarHBondContact O-CB 3.03Å; N82-L85 PolarHBondContact O-N 2.85Å; N82-L85 VanDerWaalsContact O-N 3.15Å; N82-F86 WeakPolarHBondContact O-CD2 3.37Å; N82-F86 PolarHBondContact O-N 2.79Å
83	D	54.3	Low	52.5	Low	89 Å²	89	112 Å²	112	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-60.7	-34.3	176.8	-65.1	-22.6	0	0	0	112.4	Q79 R80 F86 Q87	Q79-D83 WeakPolarHBondContact O-CB 3.22Å; Q79-D83 PolarHBondContact O-N 2.8Å; R80-D83 PolarHBondContact O-N 3.26Å; D83-F86 CarbonylContact O-C 3.49Å; D83-F86 WeakPolarHBondContact O-CA 3.23Å; D83-F86 PolarHBondContact O-N 3.38Å; D83-F86 VanDerWaalsContact O-N 3.1Å; D83-Q87 WeakPolarHBondContact O-CG 3.47Å; D83-Q87 PolarHBondContact O-N 3.38Å
84	A	50.5	Low	50.7	Low	45 Å²	45	115.4 Å²	115.4	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-73.1	-36.3	175.8	0	0	0	0	0	112.5	R80 N81 N82 F86 Q87 L88	R80-A84 WeakPolarHBondContact O-CB 3.42Å; R80-A84 PolarHBondContact O-N 3.24Å; N81-A84 PolarHBondContact O-N 2.86Å; N82-A84 VanDerWaalsContact C-N 3.28Å; N82-A84 PolarHBondContact O-N 3.27Å; A84-F86 PolarHBondContact O-N 3.4Å; A84-Q87 PolarHBondContact O-N 2.78Å; A84-L88 PolarHBondContact O-N 3.44Å
85	L	44.3	Very low	49.1	Very low	120 Å²	120	115.8 Å²	115.8	63%	0.628	59%	0.588	S	S	*	*	H	α-helix	trans	-61.4	-23.1	165.5	-95.9	154.4	0	0	0	111.8	N81 N82	N81-L85 WeakPolarHBondContact O-CB 3.5Å; N81-L85 PolarHBondContact O-N 2.77Å; N82-L85 CarbonylContact O-C 3.59Å; N82-L85 WeakPolarHBondContact O-CB 3.03Å; N82-L85 PolarHBondContact O-N 2.85Å; N82-L85 VanDerWaalsContact O-N 3.15Å
86	F	42.5	Very low	47.8	Very low	69 Å²	69	119.5 Å²	119.5	30%	0.303	60%	0.603	S	S	.	*	H	α-helix	trans	-95.6	-24.1	176.1	-74.5	-65.6	0	0	0	115.2	N82 D83 A84	N82-F86 WeakPolarHBondContact O-CD2 3.37Å; N82-F86 PolarHBondContact O-N 2.79Å; D83-F86 CarbonylContact O-C 3.49Å; D83-F86 WeakPolarHBondContact O-CA 3.23Å; D83-F86 PolarHBondContact O-N 3.38Å; D83-F86 VanDerWaalsContact O-N 3.1Å; A84-F86 PolarHBondContact O-N 3.4Å
87	Q	42.2	Very low	45.9	Very low	134 Å²	134	117.5 Å²	117.5	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-79.8	-27.6	173.4	-75.4	-178	39.5	0	0	112.6	D83 A84 K89 Q90	D83-Q87 WeakPolarHBondContact O-CG 3.47Å; D83-Q87 PolarHBondContact O-N 3.38Å; A84-Q87 PolarHBondContact O-N 2.78Å; Q87-K89 PolarHBondContact O-N 2.84Å; Q87-K89 VanDerWaalsContact O-N 3.14Å; Q87-Q90 PolarHBondContact O-N 2.91Å
88	L	40.4	Very low	44	Very low	148 Å²	148	117 Å²	117	78%	0.775	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-7.9	173.8	-87.7	157.9	0	0	0	114.3	A84	A84-L88 PolarHBondContact O-N 3.44Å
89	K	42.1	Very low	42.9	Very low	103 Å²	103	117.7 Å²	117.7	45%	0.448	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.9	2.4	169.5	-83.3	-171.2	170.9	-172.3	0	114.4	Q87 N284	Q87-K89 PolarHBondContact O-N 2.84Å; Q87-K89 VanDerWaalsContact O-N 3.14Å; K89-N284 PolarHBondContact NZ-O 3.48Å
90	Q	39.6	Very low	41.5	Very low	172 Å²	172	120.9 Å²	120.9	80%	0.804	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-6.5	176.1	-75.2	-154.4	0.4	0	0	115.3	Q87 S92	Q87-Q90 PolarHBondContact O-N 2.91Å; Q90-S92 PolarHBondContact O-N 2.76Å
91	C	32.2	Very low	40.1	Very low	115 Å²	115	121.1 Å²	121.1	78%	0.777	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	19.8	-178	-66.1	0	0	0	0	115.4
92	S	36.1	Very low	38.7	Very low	90 Å²	90	121.7 Å²	121.7	63%	0.629	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-0.1	-177.7	49.8	0	0	0	0	116.8	Q90	Q90-S92 PolarHBondContact O-N 2.76Å
93	N	34.9	Very low	37.5	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	70%	0.699	S	S	*	*			trans	-130.4	43	-175.9	-74	-15.7	0	0	0	115.1
94	L	33.2	Very low	36.5	Very low	182 Å²	182	129.4 Å²	129.4	95%	0.953	72%	0.718	S	S	*	*			trans	-107.2	64.7	169.7	-126	82.7	0	0	0	111.4
95	C	32.9	Very low	35.8	Very low	110 Å²	110	135.7 Å²	135.7	74%	0.743	74%	0.74	S	S	*	*			trans	-126.5	117	159.5	-95.3	0	0	0	0	108.5
96	Q	35.8	Very low	35.5	Very low	176 Å²	176	137 Å²	137	82%	0.822	75%	0.747	S	S	*	*	S	Bend	trans	71.5	96.4	155.6	-52.2	173.8	16.8	0	0	115.5
97	S	33.1	Very low	35.4	Very low	117 Å²	117	143 Å²	143	82%	0.818	77%	0.772	S	S	*	*				113.4	145.1	80	-73.1	0	0	0	0	108.7
98	P	30.8	Very low	35.8	Very low	129 Å²	129	141.9 Å²	141.9	84%	0.838	77%	0.771	S	S	*	*			trans	-100.1	138.5	-154.6	35.8	-29.7	0	0	0	113.4
99	S	37.1	Very low	36.4	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	77%	0.767	S	S	*	*			trans	-158.2	102.8	155.5	66.8	0	0	0	0	111.7
100	N	32.2	Very low	37	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	78%	0.781	S	S	*	*			trans	38.6	129.1	136.4	-65.8	-15.8	0	0	0	121.3
101	Q	33.8	Very low	37.5	Very low	173 Å²	173	140.2 Å²	140.2	81%	0.808	77%	0.77	S	S	*	*			trans	101.6	116.4	145.2	-72.6	171	11.9	0	0	118.6
102	T	29.7	Very low	38.4	Very low	117 Å²	117	138.4 Å²	138.4	72%	0.718	75%	0.752	S	S	*	*			trans	68.5	119.4	142.3	53.7	0	0	0	0	119.1
103	D	30.7	Very low	39	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	75%	0.747	S	S	*	*			trans	133.6	121.7	138.7	-65.3	-22.9	0	0	0	114.9	Q105	D103-Q105 PolarHBondContact O-N 3.48Å
104	D	32.3	Very low	39.6	Very low	166 Å²	166	135.1 Å²	135.1	89%	0.888	72%	0.724	S	S	*	*			trans	-16.3	107.6	171.6	-70.7	-40.7	0	0	0	116.5
105	Q	36	Very low	39.9	Very low	176 Å²	176	129.8 Å²	129.8	82%	0.822	71%	0.713	S	S	*	*			trans	-117	110.8	172.1	-71.2	-145.9	50.9	0	0	113.4	D103	D103-Q105 PolarHBondContact O-N 3.48Å
106	L	37.3	Very low	40.4	Very low	147 Å²	147	131.1 Å²	131.1	77%	0.77	71%	0.708	S	S	*	*			trans	9.1	106.2	150.5	-90.2	82.8	0	0	0	116.9
107	K	41.2	Very low	40.6	Very low	195 Å²	195	126 Å²	126	85%	0.848	69%	0.686	S	S	*	*			trans	-105.4	16.1	166.7	-89.6	-174.8	175.8	177	0	114.8
108	D	51.3	Low	40.8	Very low	111 Å²	111	127.1 Å²	127.1	59%	0.594	68%	0.676	S	S	*	*			trans	-102.2	20.4	-163.4	-78.9	-6.5	0	0	0	117	K110	D108-K110 PolarHBondContact O-N 3.29Å
109	N	53.1	Low	41.2	Very low	128 Å²	128	126 Å²	126	68%	0.684	67%	0.668	S	S	*	*			trans	-91.1	14	179.5	-72.4	-23.8	0	0	0	114.8
110	K	54.6	Low	41	Very low	172 Å²	172	128.1 Å²	128.1	75%	0.748	67%	0.671	S	S	*	*	S	Bend	trans	-81.5	133.8	174.3	-76.7	-176.5	178	-179.8	0	110.2	D108 L112	D108-K110 PolarHBondContact O-N 3.29Å; K110-L112 PolarHBondContact O-N 3.43Å
111	P	49.8	Very low	41	Very low	89 Å²	89	128.3 Å²	128.3	58%	0.578	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.8	169.9	24.1	-30.8	0	0	0	109.3	L273	P111-L273 HydrophobicContact CB-CD1 3.87Å
112	L	50.8	Low	41.1	Very low	77 Å²	77	130.5 Å²	130.5	40%	0.403	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-86.6	122.5	172.8	-83.7	87.6	0	0	0	109.2	K110 L117	K110-L112 PolarHBondContact O-N 3.43Å; L112-L117 HydrophobicContact CD2-CD1 3.87Å; L112-L117 HydrophobicContact CD2-CD2 3.87Å; L112-L117 HydrophobicContact CD2-CG 4.07Å
113	E	49.5	Very low	41.2	Very low	110 Å²	110	133.8 Å²	133.8	51%	0.514	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-77	135.2	165.2	-68.9	-176.2	174.1	0	0	109.2	G115 Q116	E113-G115 PolarHBondContact O-N 2.95Å; E113-Q116 HydrophobicContact CB-CG 4.4Å; E113-Q116 PolarHBondContact O-N 3.15Å
114	I	45.7	Very low	41.2	Very low	59 Å²	59	134.3 Å²	134.3	30%	0.303	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-54.5	-28.3	-176.5	-67.9	173.6	0	0	0	112.2	W39 Q116	W39-I114 HydrophobicContact CB-CD1 4.35Å; W39-I114 HydrophobicContact CD2-CD1 3.68Å; W39-I114 HydrophobicContact CD2-CG1 3.85Å; W39-I114 HydrophobicContact CE3-CD1 4.14Å; W39-I114 HydrophobicContact CE3-CG1 4.2Å; W39-I114 HydrophobicContact CG-CD1 3.74Å; W39-I114 HydrophobicContact CG-CG1 4.36Å; W39-I114 HydrophobicContact CH2-CG1 4.05Å; W39-I114 HydrophobicContact CZ2-CB 4.23Å; W39-I114 HydrophobicContact CZ2-CD1 4.49Å; W39-I114 HydrophobicContact CZ2-CG1 3.74Å; W39-I114 HydrophobicContact CZ2-CG2 4.03Å; W39-I114 HydrophobicContact CZ3-CG1 4.27Å; W39-I114 VanDerWaalsContact NE1-CG2 3.29Å; I114-Q116 PolarHBondContact O-N 2.96Å
115	G	39.7	Very low	41.3	Very low	70 Å²	70	135 Å²	135	72%	0.722	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-76.9	-6.8	179.8	0	0	0	0	0	116.6	E113	E113-G115 PolarHBondContact O-N 2.95Å
116	Q	43.4	Very low	41.1	Very low	138 Å²	138	134 Å²	134	65%	0.645	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-92.7	3.2	-177.9	-66.5	179	-3.6	0	0	113.9	E113 I114	E113-Q116 HydrophobicContact CB-CG 4.4Å; E113-Q116 PolarHBondContact O-N 3.15Å; I114-Q116 PolarHBondContact O-N 2.96Å
117	L	41.7	Very low	41.2	Very low	69 Å²	69	135 Å²	135	36%	0.361	68%	0.683	S	S	.	*	S	Bend	trans	-110.3	3.9	-167.8	-76.9	167.3	0	0	0	115.1	W39 L112	W39-L117 HydrophobicContact CH2-CD1 4.16Å; W39-L117 HydrophobicContact CZ2-CD1 4.19Å; L112-L117 HydrophobicContact CD2-CD1 3.87Å; L112-L117 HydrophobicContact CD2-CD2 3.87Å; L112-L117 HydrophobicContact CD2-CG 4.07Å
118	F	36.4	Very low	40.9	Very low	140 Å²	140	132.9 Å²	132.9	61%	0.614	68%	0.681	S	S	*	*			trans	-121	120.8	178.2	-63.6	-77	0	0	0	110.7
119	P	38.1	Very low	39.9	Very low	104 Å²	104	131.2 Å²	131.2	68%	0.675	69%	0.69	S	S	*	*			trans	-69.6	125.7	162.6	26.6	-27.9	0	0	0	108.8	Q121	P119-Q121 PolarHBondContact O-N 3.41Å
120	D	34.5	Very low	39	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	70%	0.695	S	S	*	*			trans	-59.9	100.8	171.8	-76.6	-29.8	0	0	0	109
121	Q	31.8	Very low	37.9	Very low	156 Å²	156	130.9 Å²	130.9	73%	0.729	70%	0.7	S	S	*	*			trans	-130.9	72.7	169.4	-72.7	-169.7	-25.9	0	0	108.8	P119	P119-Q121 PolarHBondContact O-N 3.41Å
122	F	35.4	Very low	37.3	Very low	218 Å²	218	135.3 Å²	135.3	96%	0.956	71%	0.712	S	S	*	*			trans	-139.4	110.2	152	-80.3	-72.4	0	0	0	109
123	E	32.2	Very low	36.5	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.874	73%	0.733	S	S	*	*			trans	-59.9	153.2	173.6	-74.7	170.4	132.6	0	0	111.8	H125	E123-H125 PolarHBondContact O-N 2.84Å
124	N	30.3	Very low	35.6	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	75%	0.749	S	S	*	*			trans	-50.5	120.4	175.4	-56.4	-54.9	0	0	0	111.8
125	H	35.1	Very low	35.1	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	77%	0.772	S	S	*	*			trans	-126.5	95.6	154.3	-91.7	-56.8	0	0	0	108.7	E123 Q127	E123-H125 PolarHBondContact O-N 2.84Å; H125-Q127 PolarHBondContact O-N 2.8Å
126	D	30.7	Very low	34.7	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	77%	0.774	S	S	*	*			trans	-62.8	117.4	153.8	-69.1	-44.5	0	0	0	107.7
127	Q	39.5	Very low	34.4	Very low	170 Å²	170	154.7 Å²	154.7	79%	0.794	79%	0.785	S	S	*	*			trans	-158.6	112.4	149.6	-70.7	-156.2	-18.5	0	0	110.8	H125	H125-Q127 PolarHBondContact O-N 2.8Å
128	D	34.6	Very low	34	Very low	149 Å²	149	157.8 Å²	157.8	80%	0.797	80%	0.802	S	S	*	*				54.7	103.3	127.2	-57.4	-25.1	0	0	0	120.8
129	G	30.2	Very low	34	Very low	76 Å²	76	160 Å²	160	78%	0.784	81%	0.814	S	S	*	*				54.9	100.2	114.8	0	0	0	0	0	119.2
130	I	34	Very low	33.9	Very low	154 Å²	154	163.1 Å²	163.1	79%	0.79	82%	0.823	S	S	*	*			trans	-134.8	115.8	148.9	-59	-178.9	0	0	0	109	E132	I130-E132 HydrophobicContact CG2-CG 4.17Å
131	V	32.1	Very low	33.7	Very low	139 Å²	139	163.2 Å²	163.2	84%	0.842	82%	0.824	S	S	*	*			trans	-81.2	117	168.1	171.3	0	0	0	0	107.1
132	E	36.7	Very low	33.8	Very low	182 Å²	182	167 Å²	167	85%	0.85	83%	0.831	S	S	*	*			trans	-108.4	134.5	164.2	-76.3	-168.7	167.7	0	0	110.8	I130	I130-E132 HydrophobicContact CG2-CG 4.17Å
133	K	35.3	Very low	33.6	Very low	191 Å²	191	165.1 Å²	165.1	83%	0.83	83%	0.831	S	S	*	*			trans	-97.1	136.8	-156.3	-171.9	179	-178.8	-177.2	0	109	V135	K133-V135 PolarHBondContact O-N 3.21Å
134	E	29.3	Very low	33.4	Very low	183 Å²	183	167.6 Å²	167.6	86%	0.855	83%	0.832	S	S	*	*			trans	-51.7	128.8	173.6	-64.3	174.3	155	0	0	111.6
135	V	36	Very low	33.6	Very low	130 Å²	130	165 Å²	165	79%	0.788	82%	0.824	S	S	*	*			trans	-124.5	116.5	163.5	178.7	0	0	0	0	107.5	K133	K133-V135 PolarHBondContact O-N 3.21Å
136	Y	32	Very low	33.4	Very low	195 Å²	195	165.9 Å²	165.9	77%	0.765	83%	0.825	S	S	*	*			trans	-56	134.1	168.2	-95.2	-108.9	0	0	0	110.8
137	D	37	Very low	33.2	Very low	162 Å²	162	166.8 Å²	166.8	87%	0.866	82%	0.824	S	S	*	*			trans	-144	103.6	150.6	-92	-31	0	0	0	109.7	E139	D137-E139 PolarHBondContact O-N 3.27Å
138	D	32	Very low	32.9	Very low	134 Å²	134	166.6 Å²	166.6	72%	0.717	83%	0.827	S	S	*	*			trans	-68.3	109.8	163.9	-84.9	-42.5	0	0	0	108.9
139	E	36.6	Very low	32.7	Very low	186 Å²	186	167.2 Å²	167.2	87%	0.869	83%	0.83	S	S	*	*			trans	-168.7	2.7	152.9	-115.5	174	-165.3	0	0	119.4	D137	D137-E139 PolarHBondContact O-N 3.27Å
140	I	35.9	Very low	32.7	Very low	171 Å²	171	167 Å²	167	88%	0.877	83%	0.828	S	S	*	*			trans	-116.8	58.8	-176.6	-45.9	-176.7	0	0	0	112.2
141	N	31.5	Very low	32.7	Very low	158 Å²	158	169.4 Å²	169.4	85%	0.845	83%	0.833	S	S	*	*			trans	-105.6	65.1	169.6	-101.7	-33.3	0	0	0	110.5
142	R	33.3	Very low	32.6	Very low	235 Å²	235	167.9 Å²	167.9	89%	0.887	83%	0.829	S	S	*	*			trans	-144.9	22.8	176.8	-81.7	-158	175.5	173.4	1	118.8
143	L	30.6	Very low	32.6	Very low	180 Å²	180	165.5 Å²	165.5	94%	0.942	83%	0.829	S	S	*	*			trans	-133.1	109.9	170.8	-66.2	170.8	0	0	0	112.9
144	R	28.8	Very low	32.6	Very low	239 Å²	239	164.4 Å²	164.4	90%	0.902	83%	0.831	S	S	*	*			trans	-127.8	169.2	163.8	-96.5	-164.2	-166.3	-164.3	6.2	106.8
145	P	33.9	Very low	32.8	Very low	98 Å²	98	160.2 Å²	160.2	64%	0.636	82%	0.822	S	S	*	*			cis	-142	174.2	-31	37.3	-19.9	0	0	0	113
146	F	32.2	Very low	32.6	Very low	198 Å²	198	161.2 Å²	161.2	87%	0.868	82%	0.823	S	S	*	*			trans	-159.5	131.6	137.2	45.9	-91.3	0	0	0	113.3
147	H	26.2	Very low	32.8	Very low	172 Å²	172	158.1 Å²	158.1	80%	0.796	82%	0.824	S	S	*	*			trans	-82	134.5	179	-81	-112.5	0	0	0	111.2
148	L	33.5	Very low	32.6	Very low	166 Å²	166	157 Å²	157	87%	0.869	82%	0.818	S	S	*	*			trans	-122.1	98.7	158.2	-97.5	157.2	0	0	0	109.3
149	L	28.8	Very low	32.9	Very low	162 Å²	162	157.2 Å²	157.2	85%	0.848	82%	0.82	S	S	*	*			trans	-56.8	129.8	166	-74.5	154.2	0	0	0	109.9
150	G	30.2	Very low	32.9	Very low	73 Å²	73	155.8 Å²	155.8	75%	0.753	81%	0.813	S	S	*	*			trans	-171.9	83.1	172.8	0	0	0	0	0	110.1	S152	G150-S152 PolarHBondContact O-N 3.41Å
151	K	34.8	Very low	32.9	Very low	203 Å²	203	153.9 Å²	153.9	88%	0.883	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-55	129.7	-175.6	-62.6	177.9	176.5	-178.4	0	111.7
152	S	29.8	Very low	33	Very low	108 Å²	108	152.6 Å²	152.6	76%	0.755	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.6	139.8	163.3	-56.8	0	0	0	0	110.3	G150 L154	G150-S152 PolarHBondContact O-N 3.41Å; S152-L154 PolarHBondContact O-N 2.91Å
153	P	37.4	Very low	33	Very low	132 Å²	132	148.7 Å²	148.7	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.8	123	168.8	-0.7	17	0	0	0	109.1
154	L	35.8	Very low	33.1	Very low	168 Å²	168	144.7 Å²	144.7	88%	0.88	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.4	140.7	170.2	-86	132.2	0	0	0	110.6	S152	S152-L154 PolarHBondContact O-N 2.91Å
155	S	33.5	Very low	33.3	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-62.9	143	164.6	47.2	0	0	0	0	112
156	D	31.1	Very low	33.3	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	78%	0.779	S	S	*	*			trans	36.1	102.4	144.7	-61.3	-23.4	0	0	0	117.9
157	T	36	Very low	33.1	Very low	130 Å²	130	143.6 Å²	143.6	80%	0.798	77%	0.773	S	S	*	*				-173.7	124.1	123.9	41.7	0	0	0	0	109.5
158	N	33.1	Very low	33.4	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	78%	0.779	S	S	*	*			trans	30.5	113.8	142.3	-57.7	-12.2	0	0	0	117.9
159	D	37.1	Very low	33.2	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	77%	0.772	S	S	*	*				168.6	125.2	102.6	-86.1	-32.1	0	0	0	110.6
160	H	37.7	Very low	33.2	Very low	156 Å²	156	142.4 Å²	142.4	72%	0.722	77%	0.774	S	S	*	*			trans	52.8	126.5	139.5	-79.9	-70.2	0	0	0	122.5
161	D	35.6	Very low	33.3	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	78%	0.778	S	S	*	*			trans	94.3	92.8	138.8	-58.1	-8.7	0	0	0	118.5
162	D	33.5	Very low	32.9	Very low	132 Å²	132	143.9 Å²	143.9	71%	0.706	77%	0.772	S	S	*	*				93.7	123.9	113.6	-102.2	6.1	0	0	0	121.2
163	Q	33.7	Very low	33	Very low	153 Å²	153	148.9 Å²	148.9	72%	0.715	78%	0.781	S	S	*	*			trans	83.7	99.2	142.9	-66.8	178.7	42.9	0	0	119.8
164	S	32.2	Very low	32.5	Very low	95 Å²	95	146.8 Å²	146.8	66%	0.664	77%	0.769	S	S	*	*				64.7	124	125.7	71.2	0	0	0	0	117.5
165	I	32.6	Very low	32.2	Very low	152 Å²	152	145.4 Å²	145.4	78%	0.779	77%	0.767	S	S	*	*				-171.5	106.3	88.9	-81.4	147.1	0	0	0	106.4
166	K	34.5	Very low	32	Very low	187 Å²	187	145.8 Å²	145.8	81%	0.813	77%	0.77	S	S	*	*				55.4	116.2	109.2	-73.1	-177.9	-179.9	172.1	0	118.3
167	K	28.8	Very low	31.8	Very low	174 Å²	174	145.2 Å²	145.2	76%	0.757	77%	0.771	S	S	*	*			trans	68.2	112	136.7	-74.1	-175.5	172.4	-173.6	0	119.3
168	C	30.8	Very low	31.4	Very low	135 Å²	135	144.7 Å²	144.7	91%	0.912	76%	0.764	S	S	*	*			trans	-135	142.2	132.7	-88.1	0	0	0	0	109.3
169	D	31	Very low	31.2	Very low	134 Å²	134	146.2 Å²	146.2	72%	0.717	77%	0.77	S	S	*	*			trans	-82.6	163.6	-151.3	-73.9	-58.5	0	0	0	116.8
170	K	28.2	Very low	30.8	Very low	205 Å²	205	146.1 Å²	146.1	89%	0.891	77%	0.765	S	S	*	*			trans	-47.2	134.2	169.7	-69	163.2	170.7	177.9	0	112.4
171	I	32	Very low	30.4	Very low	166 Å²	166	144.8 Å²	144.8	85%	0.851	76%	0.763	S	S	*	*			trans	-123.6	133.5	157.8	-62.5	177.4	0	0	0	107.9
172	D	27.4	Very low	30.2	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	77%	0.77	S	S	*	*			trans	-58.2	130.2	-161.4	-84.4	-51.1	0	0	0	116.5	S174	D172-S174 PolarHBondContact O-N 2.89Å
173	K	31.3	Very low	30.2	Very low	214 Å²	214	148.6 Å²	148.6	93%	0.93	78%	0.777	S	S	*	*			trans	-91.8	70.5	159.7	-71	178.5	178.9	176.7	0	108.9
174	S	27.2	Very low	30	Very low	87 Å²	87	148.5 Å²	148.5	61%	0.608	78%	0.781	S	S	*	*			trans	-152.3	106.2	164.1	60	0	0	0	0	108.2	D172	D172-S174 PolarHBondContact O-N 2.89Å
175	V	27.9	Very low	29.9	Very low	139 Å²	139	152.2 Å²	152.2	84%	0.842	79%	0.788	S	S	*	*			trans	162.8	128.2	158.9	163.1	0	0	0	0	106.3
176	S	30.5	Very low	29.8	Very low	102 Å²	102	152.1 Å²	152.1	71%	0.713	79%	0.789	S	S	*	*			trans	95.8	73.2	177.4	-29.7	0	0	0	0	114.9
177	V	27.5	Very low	29.7	Very low	139 Å²	139	149.2 Å²	149.2	84%	0.842	78%	0.782	S	S	*	*				61.6	92.5	77.9	-172.3	0	0	0	0	111
178	N	26.1	Very low	29.8	Very low	120 Å²	120	147.2 Å²	147.2	64%	0.642	78%	0.78	S	S	*	*				77.5	88.2	78	-159.6	24.5	0	0	0	114.6	H180	N178-H180 PolarHBondContact OD1-ND1 2.91Å
179	I	29.9	Very low	29.7	Very low	169 Å²	169	147 Å²	147	87%	0.867	77%	0.77	S	S	*	*			trans	-153.7	77.8	149.2	-52	-177.7	0	0	0	105.9
180	H	28.8	Very low	29.9	Very low	137 Å²	137	147.7 Å²	147.7	63%	0.634	77%	0.773	S	S	*	*				39.5	107.8	100.1	-94.1	76.1	0	0	0	116.4	N178	N178-H180 PolarHBondContact OD1-ND1 2.91Å
181	N	28.8	Very low	29.9	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	77%	0.769	S	S	*	*				36.8	116.7	127.1	-57.8	-9.4	0	0	0	118.6
182	H	30.9	Very low	29.7	Very low	183 Å²	183	143.2 Å²	143.2	85%	0.847	77%	0.769	S	S	*	*				177.9	149.5	122.6	-106.5	-79.1	0	0	0	110.1
183	L	33.5	Very low	29.8	Very low	160 Å²	160	143.5 Å²	143.5	84%	0.838	77%	0.766	S	S	*	*			trans	102.3	59.9	167.8	-49.9	177.1	0	0	0	116
184	D	30.1	Very low	29.5	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	76%	0.756	S	S	*	*			trans	-68.2	153.2	134.8	-81.2	-40.9	0	0	0	110.3
185	E	30.2	Very low	29.7	Very low	174 Å²	174	148.5 Å²	148.5	81%	0.813	77%	0.768	S	S	*	*			trans	65.4	99.8	154	-68.7	172.3	-179	0	0	119
186	N	30.7	Very low	29.7	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	77%	0.77	S	S	*	*				178.9	139.2	116.9	-101.3	-46.1	0	0	0	114.5
187	N	32.1	Very low	29.5	Very low	127 Å²	127	151.4 Å²	151.4	68%	0.679	77%	0.769	S	S	*	*			trans	65.5	105.7	149	-80.3	-34.8	0	0	0	118.8
188	N	30.3	Very low	29.7	Very low	131 Å²	131	149.6 Å²	149.6	70%	0.701	76%	0.763	S	S	*	*				76.2	125.7	83.7	-88.1	-27	0	0	0	113.6
189	N	30.2	Very low	29.8	Very low	132 Å²	132	150.1 Å²	150.1	71%	0.706	77%	0.766	S	S	*	*			trans	70.9	99.1	153.6	-65.9	-11.2	0	0	0	117.6
190	N	33.8	Very low	29.8	Very low	148 Å²	148	152.7 Å²	152.7	79%	0.791	76%	0.764	S	S	*	*				153.1	111.3	106.1	-78.3	-27.2	0	0	0	112.3
191	N	28.2	Very low	30	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	76%	0.763	S	S	*	*				51.5	102.3	118.1	-146.5	21.7	0	0	0	119.1
192	C	28.8	Very low	29.9	Very low	125 Å²	125	150.4 Å²	150.4	85%	0.845	77%	0.77	S	S	*	*			trans	174.3	105.4	141	-137.1	0	0	0	0	107.7
193	H	28.3	Very low	29.7	Very low	147 Å²	147	146.9 Å²	146.9	68%	0.681	77%	0.766	S	S	*	*				61.3	111.1	58.4	-97.6	34.3	0	0	0	115.9
194	Y	26.1	Very low	29.5	Very low	188 Å²	188	147.5 Å²	147.5	74%	0.737	77%	0.767	S	S	*	*			trans	67.9	128.6	169	-62	-90	0	0	0	116.6
195	Y	30.9	Very low	29.5	Very low	218 Å²	218	145 Å²	145	86%	0.855	76%	0.756	S	S	*	*				-156.3	152.8	56.8	-92.1	-92.6	0	0	0	114.8
196	K	28.1	Very low	29.4	Very low	202 Å²	202	143.9 Å²	143.9	88%	0.878	76%	0.756	S	S	*	*			trans	-34.9	133	169.4	-93.9	166.5	165	175.1	0	115.6
197	S	26.9	Very low	29.3	Very low	100 Å²	100	141.4 Å²	141.4	70%	0.699	74%	0.742	S	S	*	*			trans	-73	116.6	161.7	54.9	0	0	0	0	111.3	N199	S197-N199 PolarHBondContact O-N 3.3Å
198	S	30.1	Very low	29.1	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	74%	0.742	S	S	*	*			trans	-80.6	111.5	167.3	18.4	0	0	0	0	110.1	W200	S198-W200 PolarHBondContact O-N 2.84Å
199	N	28.6	Very low	29.3	Very low	132 Å²	132	143.9 Å²	143.9	71%	0.706	75%	0.75	S	S	*	*			trans	-77.7	108.1	175.6	-75	-37	0	0	0	110.6	S197	S197-N199 PolarHBondContact O-N 3.3Å
200	W	31.3	Very low	29.4	Very low	222 Å²	222	148.2 Å²	148.2	84%	0.841	76%	0.756	S	S	*	*			trans	-109.7	37.8	172.1	-80.5	93.3	0	0	0	113.2	S198	S198-W200 PolarHBondContact O-N 2.84Å
201	T	32.8	Very low	29.6	Very low	99 Å²	99	145.4 Å²	145.4	61%	0.607	74%	0.741	S	S	*	*			trans	-124.3	20.5	-179.6	67.7	0	0	0	0	115
202	S	26.9	Very low	29.8	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	73%	0.725	S	S	*	*	S	Bend	trans	-117.3	15.7	-175.3	-82.2	0	0	0	0	116.2
203	S	26.8	Very low	29.9	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	71%	0.711	S	S	*	*			trans	-121.3	61.6	166.1	-173	0	0	0	0	110.4	V205	S203-V205 PolarHBondContact O-N 3.24Å
204	M	28.1	Very low	30.2	Very low	173 Å²	173	140.5 Å²	140.5	85%	0.852	71%	0.711	S	S	*	*			trans	-87.1	88.8	161.5	-154.2	172	87.1	0	0	105.4	D206	M204-D206 PolarHBondContact O-N 3.41Å
205	V	29.6	Very low	30.5	Very low	97 Å²	97	136.5 Å²	136.5	59%	0.588	70%	0.702	S	S	*	*			trans	-55.5	129.5	167.2	174.2	0	0	0	0	106.8	S203 L207	S203-V205 PolarHBondContact O-N 3.24Å; V205-L207 HydrophobicContact CG1-CD2 4.47Å; V205-L207 HydrophobicContact CG1-CG 4.45Å; V205-L207 PolarHBondContact O-N 3.49Å
206	D	28.3	Very low	30.8	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	68%	0.677	S	S	*	*			trans	-58.3	82.6	169.6	-85.1	-38.8	0	0	0	109.1	M204 N208	M204-D206 PolarHBondContact O-N 3.41Å; D206-N208 PolarHBondContact O-N 2.93Å; D206-N208 VanDerWaalsContact O-N 3.1Å
207	L	29.4	Very low	31.2	Very low	97 Å²	97	125.1 Å²	125.1	51%	0.508	67%	0.669	S	S	.	*			trans	-78.4	95.7	170.5	-72.3	170.2	0	0	0	106.5	V205 E209 M212	V205-L207 HydrophobicContact CG1-CD2 4.47Å; V205-L207 HydrophobicContact CG1-CG 4.45Å; V205-L207 PolarHBondContact O-N 3.49Å; L207-E209 PolarHBondContact O-N 3.37Å; L207-M212 HydrophobicContact CB-SD 4.12Å; L207-M212 HydrophobicContact CD1-SD 4.41Å
208	N	28	Very low	31.4	Very low	125 Å²	125	123.3 Å²	123.3	67%	0.668	65%	0.651	S	S	*	*			trans	-35.4	130.5	170	-93	-33.3	0	0	0	111	D206 R210 N211	D206-N208 PolarHBondContact O-N 2.93Å; D206-N208 VanDerWaalsContact O-N 3.1Å; N208-R210 PolarHBondContact O-N 3.2Å; N208-N211 PolarHBondContact O-N 2.82Å
209	E	34.4	Very low	31.5	Very low	185 Å²	185	120.7 Å²	120.7	86%	0.864	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-17.1	-178.3	-72.2	-178.3	145.5	0	0	113.9	L207	L207-E209 PolarHBondContact O-N 3.37Å
210	R	32.1	Very low	31.8	Very low	224 Å²	224	117.1 Å²	117.1	85%	0.845	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-23.6	176.2	-72.8	-178.1	176.4	140.6	-1.5	115.2	N208 S213	N208-R210 PolarHBondContact O-N 3.2Å; R210-S213 PolarHBondContact O-OG 3.46Å
211	N	37.4	Very low	31.8	Very low	88 Å²	88	115.2 Å²	115.2	47%	0.471	61%	0.606	S	S	.	*	S	Bend	trans	-92.4	-6.7	178.7	-74.9	1.6	0	0	0	113.1	N208 E214	N208-N211 PolarHBondContact O-N 2.82Å; N211-E214 PolarHBondContact O-N 3.32Å
212	M	32.2	Very low	31.8	Very low	97 Å²	97	117.2 Å²	117.2	48%	0.478	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-17.2	-172.9	-66.6	-69.6	-82.7	0	0	113.4	L207	L207-M212 HydrophobicContact CB-SD 4.12Å; L207-M212 HydrophobicContact CD1-SD 4.41Å
213	S	32	Very low	31.9	Very low	77 Å²	77	116.5 Å²	116.5	54%	0.538	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-19.2	171.7	34.5	0	0	0	0	113.6	R210 S216	R210-S213 PolarHBondContact O-OG 3.46Å; S213-S216 PolarHBondContact O-OG 2.86Å
214	E	34	Very low	32.2	Very low	147 Å²	147	115.1 Å²	115.1	69%	0.687	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-19.7	178.2	-63.3	-173	171.8	0	0	112.4	N211	N211-E214 PolarHBondContact O-N 3.32Å
215	L	32.9	Very low	32.2	Very low	103 Å²	103	112.6 Å²	112.6	54%	0.539	56%	0.56	S	S	.	*	S	Bend	trans	-91.4	-12.8	177.5	-64.1	174.2	0	0	0	113.2
216	S	37.2	Very low	32.5	Very low	48 Å²	48	112.5 Å²	112.5	34%	0.336	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-19.8	-178.5	51.5	0	0	0	0	114.4	S213	S213-S216 PolarHBondContact O-OG 2.86Å
217	D	36	Very low	32.5	Very low	134 Å²	134	113.5 Å²	113.5	72%	0.717	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	8	-172.9	-73.6	-6.3	0	0	0	114.3	S219	D217-S219 PolarHBondContact O-N 2.72Å
218	I	31.9	Very low	32.5	Very low	61 Å²	61	116.9 Å²	116.9	31%	0.313	57%	0.572	S	S	.	*			trans	-85.6	64.3	-179.2	-75.9	165.8	0	0	0	110.6	N270	I218-N270 PolarHBondContact O-ND2 2.77Å
219	S	32.9	Very low	32.5	Very low	47 Å²	47	119.6 Å²	119.6	33%	0.329	58%	0.578	S	S	.	*			trans	-101.8	86.8	143	-45.8	0	0	0	0	104.7	R25 D217 W221	R25-S219 PolarHBondContact NH1-OG 2.85Å; D217-S219 PolarHBondContact O-N 2.72Å; S219-W221 VanDerWaalsContact O-CD1 3.24Å; S219-W221 PolarHBondContact O-N 2.83Å
220	L	33.8	Very low	32.3	Very low	56 Å²	56	120 Å²	120	29%	0.293	58%	0.58	S	S	.	*			trans	-70.1	94.2	173.3	-93.9	174.2	0	0	0	107.4	Y222	L220-Y222 HydrophobicContact CB-CD2 3.82Å; L220-Y222 HydrophobicContact CB-CE2 3.86Å; L220-Y222 HydrophobicContact CD1-CD2 4.28Å; L220-Y222 HydrophobicContact CD1-CE2 3.49Å; L220-Y222 VanDerWaalsContact CD1-CE2 3.49Å; L220-Y222 HydrophobicContact CD2-CD2 4.2Å; L220-Y222 HydrophobicContact CD2-CE2 3.56Å; L220-Y222 HydrophobicContact CG-CD2 4.31Å; L220-Y222 HydrophobicContact CG-CE2 3.82Å; L220-Y222 PolarHBondContact O-N 2.97Å
221	W	32.1	Very low	32	Very low	182 Å²	182	113.5 Å²	113.5	69%	0.689	57%	0.569	S	S	*	*			trans	-63.7	87.4	161	-68.3	86.1	0	0	0	107	S219 L264	S219-W221 VanDerWaalsContact O-CD1 3.24Å; S219-W221 PolarHBondContact O-N 2.83Å; W221-L264 HydrophobicContact CE3-CD1 4.31Å; W221-L264 HydrophobicContact CZ3-CD1 4.41Å
222	Y	31.5	Very low	31.5	Very low	141 Å²	141	118.6 Å²	118.6	55%	0.553	59%	0.587	S	S	*	*			trans	-98	110	160.3	-77.8	-67.5	0	0	0	107.7	L220 L224	L220-Y222 HydrophobicContact CB-CD2 3.82Å; L220-Y222 HydrophobicContact CB-CE2 3.86Å; L220-Y222 HydrophobicContact CD1-CD2 4.28Å; L220-Y222 HydrophobicContact CD1-CE2 3.49Å; L220-Y222 VanDerWaalsContact CD1-CE2 3.49Å; L220-Y222 HydrophobicContact CD2-CD2 4.2Å; L220-Y222 HydrophobicContact CD2-CE2 3.56Å; L220-Y222 HydrophobicContact CG-CD2 4.31Å; L220-Y222 HydrophobicContact CG-CE2 3.82Å; L220-Y222 PolarHBondContact O-N 2.97Å; Y222-L224 PolarHBondContact O-N 3.36Å
223	N	29	Very low	31.4	Very low	105 Å²	105	119.9 Å²	119.9	56%	0.561	60%	0.601	S	S	*	*			trans	-74.4	97.4	166.8	-147.1	-2.1	0	0	0	106.2	Q225	N223-Q225 PolarHBondContact O-N 3.18Å; N223-Q225 VanDerWaalsContact O-N 3.13Å
224	L	32.9	Very low	31.1	Very low	80 Å²	80	125.3 Å²	125.3	42%	0.419	62%	0.617	S	S	.	*			trans	-77.2	95	175.5	-94.2	125.8	0	0	0	108.5	Y222 T226	Y222-L224 PolarHBondContact O-N 3.36Å; L224-T226 PolarHBondContact O-N 2.72Å
225	Q	29.8	Very low	31.1	Very low	120 Å²	120	127.6 Å²	127.6	56%	0.561	63%	0.625	S	S	*	*			trans	-69.9	106.2	163.7	-79.1	175	-23	0	0	108.2	N223 H227	N223-Q225 PolarHBondContact O-N 3.18Å; N223-Q225 VanDerWaalsContact O-N 3.13Å; Q225-H227 PolarHBondContact O-N 2.73Å; Q225-H227 VanDerWaalsContact O-N 3.1Å
226	T	34	Very low	31.2	Very low	94 Å²	94	131.4 Å²	131.4	58%	0.577	64%	0.64	S	S	*	*			trans	-77.9	91.1	170.7	53.3	0	0	0	0	108.9	L224 Q228	L224-T226 PolarHBondContact O-N 2.72Å; T226-Q228 VanDerWaalsContact C-N 3.32Å; T226-Q228 PolarHBondContact O-N 3.1Å
227	H	30	Very low	30.8	Very low	173 Å²	173	137.9 Å²	137.9	80%	0.801	67%	0.665	S	S	*	*			trans	-68.2	91	165.3	-74.2	-71.5	0	0	0	109.2	Q225	Q225-H227 PolarHBondContact O-N 2.73Å; Q225-H227 VanDerWaalsContact O-N 3.1Å
228	Q	28.4	Very low	30.8	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	66%	0.664	S	S	*	*			trans	-91.1	115.9	163.5	-87.8	-169.2	6.7	0	0	109.9	T226	T226-Q228 VanDerWaalsContact C-N 3.32Å; T226-Q228 PolarHBondContact O-N 3.1Å
229	K	28.5	Very low	30.9	Very low	182 Å²	182	141.9 Å²	141.9	79%	0.791	68%	0.682	S	S	*	*			trans	80	101	161.4	-59.1	176.7	180	175.6	0	117.2
230	H	29.7	Very low	30.9	Very low	194 Å²	194	147 Å²	147	90%	0.898	70%	0.701	S	S	*	*				-128.4	114.5	122.5	-108.4	-80.6	0	0	0	110.3
231	S	27.1	Very low	30.8	Very low	88 Å²	88	151 Å²	151	62%	0.615	72%	0.723	S	S	*	*			trans	-51.4	140.1	164.2	28.2	0	0	0	0	112.8
232	F	25.7	Very low	30.9	Very low	194 Å²	194	151.1 Å²	151.1	85%	0.851	73%	0.731	S	S	*	*			trans	56.5	107.9	148.6	-77.3	-100	0	0	0	117.9
233	T	29.5	Very low	30.9	Very low	125 Å²	125	152.5 Å²	152.5	77%	0.767	75%	0.747	S	S	*	*				178.1	111.2	104.2	24.4	0	0	0	0	110.7	K235	T233-K235 PolarHBondContact O-N 3.38Å
234	E	26.4	Very low	31.2	Very low	190 Å²	190	154.5 Å²	154.5	89%	0.888	76%	0.756	S	S	*	*			trans	-68.3	107.4	160.5	-177.2	179.5	-160.3	0	0	108.1
235	K	33.6	Very low	31.1	Very low	195 Å²	195	156.2 Å²	156.2	85%	0.848	78%	0.775	S	S	*	*			trans	-138.8	129.2	162.1	-79	-165.3	179.3	177.3	0	111.6	T233	T233-K235 PolarHBondContact O-N 3.38Å
236	Q	34.7	Very low	31.6	Very low	183 Å²	183	157.4 Å²	157.4	86%	0.855	78%	0.784	S	S	*	*			trans	-66.7	150.8	-171.1	-63.9	-172.4	-20.2	0	0	113.4	N238	Q236-N238 PolarHBondContact O-N 2.94Å
237	H	29	Very low	31.6	Very low	184 Å²	184	160 Å²	160	85%	0.852	79%	0.794	S	S	*	*			trans	-70.3	116.9	171.1	-160	49.1	0	0	0	109.7
238	N	35.7	Very low	31.9	Very low	133 Å²	133	157.7 Å²	157.7	71%	0.711	79%	0.787	S	S	*	*			trans	-159.6	110	153.1	-102.8	-19.3	0	0	0	111.5	Q236	Q236-N238 PolarHBondContact O-N 2.94Å
239	Q	34.1	Very low	32.3	Very low	146 Å²	146	157.1 Å²	157.1	68%	0.682	79%	0.785	S	S	*	*			trans	55.7	126.8	130.7	-62.9	-173	20.5	0	0	120.8
240	Q	34	Very low	33	Very low	154 Å²	154	155.7 Å²	155.7	72%	0.72	78%	0.78	S	S	*	*			trans	90.6	115.2	142.7	-69.7	166.1	8.5	0	0	119.2
241	N	30.5	Very low	33.6	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	78%	0.781	S	S	*	*				53.4	111.2	128.6	-62.7	-3.6	0	0	0	118.7
242	E	35.1	Very low	34.4	Very low	184 Å²	184	159 Å²	159	86%	0.86	78%	0.782	S	S	*	*				166.5	146	103.5	-100.7	170	-175.3	0	0	111.7
243	L	31	Very low	35.2	Very low	169 Å²	169	156.6 Å²	156.6	89%	0.885	78%	0.778	S	S	*	*			trans	-57.7	130.6	178.8	-78.1	83	0	0	0	111.9
244	I	35.8	Very low	35.8	Very low	147 Å²	147	158 Å²	158	75%	0.754	78%	0.78	S	S	*	*			trans	-135	110.5	153.2	-61.9	179.7	0	0	0	108.3	I246	I244-I246 HydrophobicContact CG2-CD1 3.73Å; I244-I246 HydrophobicContact CG2-CG1 3.77Å
245	S	30.6	Very low	36.6	Very low	117 Å²	117	156.3 Å²	156.3	82%	0.818	78%	0.778	S	S	*	*			trans	-83	118.7	167.6	133.3	0	0	0	0	108
246	I	41.1	Very low	36.8	Very low	145 Å²	145	150 Å²	150	74%	0.744	77%	0.768	S	S	*	*			trans	-137.4	104.3	164.8	-63.2	172.6	0	0	0	107.3	I244	I244-I246 HydrophobicContact CG2-CD1 3.73Å; I244-I246 HydrophobicContact CG2-CG1 3.77Å
247	D	34	Very low	37.1	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	77%	0.767	S	S	*	*			trans	-57.8	128.2	151.9	-97.6	-34.2	0	0	0	108
248	D	36.2	Very low	37.8	Very low	125 Å²	125	146 Å²	146	67%	0.668	76%	0.759	S	S	*	*				164.4	132.2	129.1	-96.9	-26.9	0	0	0	112.6
249	H	36	Very low	38.2	Very low	156 Å²	156	143.8 Å²	143.8	72%	0.722	75%	0.754	S	S	*	*			trans	63	101.4	147.2	-58.5	-47.1	0	0	0	120.4
250	H	43.6	Very low	38.9	Very low	151 Å²	151	141.4 Å²	141.4	70%	0.699	75%	0.746	S	S	*	*				168.4	116.8	106.1	-110	47	0	0	0	110	D252	H250-D252 VanDerWaalsContact C-N 3.3Å; H250-D252 IonicContact CD2-OD1 3.94Å; H250-D252 IonicContact CD2-OD2 3.83Å; H250-D252 PolarHBondContact O-N 2.83Å; H250-D252 VanDerWaalsContact O-N 3.15Å
251	Y	41.2	Very low	40.1	Very low	233 Å²	233	139 Å²	139	91%	0.914	74%	0.735	S	S	*	*			trans	-77.9	84.2	161.6	-82.9	-89	0	0	0	107.8	N253	Y251-N253 PolarHBondContact O-N 3.49Å
252	D	45.4	Very low	41.9	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	73%	0.729	S	S	*	*			trans	-89.3	99.6	161.7	-76.9	-36.7	0	0	0	107.9	H250 D254	H250-D252 VanDerWaalsContact C-N 3.3Å; H250-D252 IonicContact CD2-OD1 3.94Å; H250-D252 IonicContact CD2-OD2 3.83Å; H250-D252 PolarHBondContact O-N 2.83Å; H250-D252 VanDerWaalsContact O-N 3.15Å; D252-D254 PolarHBondContact O-N 2.93Å
253	N	40.7	Very low	44.3	Very low	143 Å²	143	131.2 Å²	131.2	77%	0.765	69%	0.694	S	S	*	*			trans	-59.8	87.5	158.8	-88.2	-35.5	0	0	0	107.8	Y251 N255	Y251-N253 PolarHBondContact O-N 3.49Å; N253-N255 PolarHBondContact O-N 3.43Å
254	D	43.7	Very low	46.8	Very low	153 Å²	153	124.6 Å²	124.6	82%	0.818	66%	0.659	S	S	*	*			trans	-64.5	92.5	159.2	-88.2	-25.6	0	0	0	107.4	D252 G256	D252-D254 PolarHBondContact O-N 2.93Å; D254-G256 PolarHBondContact O-N 3.5Å
255	N	42	Very low	49.3	Very low	156 Å²	156	120 Å²	120	83%	0.834	63%	0.634	S	S	*	*			trans	-62.1	71.9	153.7	-73.8	-46.6	0	0	0	107.9	N253 D257	N253-N255 PolarHBondContact O-N 3.43Å; N255-D257 VanDerWaalsContact C-N 3.3Å; N255-D257 PolarHBondContact O-N 3.35Å
256	G	38.4	Very low	51.9	Low	63 Å²	63	114.9 Å²	114.9	65%	0.649	60%	0.597	S	S	*	*			trans	-71.1	90.9	164.5	0	0	0	0	0	107.7	D254 D258	D254-G256 PolarHBondContact O-N 3.5Å; G256-D258 PolarHBondContact O-N 3.11Å
257	D	41.7	Very low	54.2	Low	154 Å²	154	111.9 Å²	111.9	82%	0.824	58%	0.576	S	S	*	*			trans	-68.8	58.8	164.7	-158.2	9.9	0	0	0	108.9	N255 S259	N255-D257 VanDerWaalsContact C-N 3.3Å; N255-D257 PolarHBondContact O-N 3.35Å; D257-S259 PolarHBondContact O-N 3.03Å
258	D	43.6	Very low	56.7	Low	127 Å²	127	105.2 Å²	105.2	68%	0.679	54%	0.543	S	S	*	.			trans	-80.4	76.2	173.6	-139.6	13.1	0	0	0	105.3	G256 N260	G256-D258 PolarHBondContact O-N 3.11Å; D258-N260 PolarHBondContact O-N 3.17Å; D258-N260 PolarHBondContact O-ND2 3.39Å
259	S	44.8	Very low	59	Low	88 Å²	88	102.1 Å²	102.1	62%	0.615	54%	0.535	S	S	*	.			trans	-60.7	79.4	168.1	54.7	0	0	0	0	107.9	D257 E261	D257-S259 PolarHBondContact O-N 3.03Å; S259-E261 VanDerWaalsContact C-N 3.28Å; S259-E261 WeakPolarHBondContact O-CG 3.47Å; S259-E261 PolarHBondContact O-N 2.9Å
260	N	48.4	Very low	61.4	Low	96 Å²	96	96.2 Å²	96.2	51%	0.513	51%	0.508	S	S	.	.			trans	-58.7	93.5	176.4	-84.3	-64.1	0	0	0	107.5	D258 Q262	D258-N260 PolarHBondContact O-N 3.17Å; D258-N260 PolarHBondContact O-ND2 3.39Å; N260-Q262 VanDerWaalsContact C-N 3.34Å; N260-Q262 PolarHBondContact O-N 3.45Å
261	E	59	Low	63.3	Low	102 Å²	102	89.8 Å²	89.8	48%	0.477	48%	0.479	S	S	.	.			trans	-67	94.5	-177.4	-60.2	-174.6	137	0	0	108.5	K44 S259 Q263	K44-E261 HydrophobicContact CD-CB 4.41Å; K44-E261 WeakPolarHBondContact CE-OE1 3.49Å; K44-E261 WeakPolarHBondContact CE-OE2 3.5Å; K44-E261 IonicContact NZ-OE1 2.63Å; K44-E261 PolarHBondContact NZ-OE1 2.82Å; K44-E261 IonicContact NZ-OE2 2.58Å; K44-E261 PolarHBondContact NZ-OE2 2.85Å; S259-E261 VanDerWaalsContact C-N 3.28Å; S259-E261 WeakPolarHBondContact O-CG 3.47Å; S259-E261 PolarHBondContact O-N 2.9Å; E261-Q263 PolarHBondContact O-N 2.81Å
262	Q	68.6	Low	65.4	Low	136 Å²	136	82.6 Å²	82.6	64%	0.636	46%	0.456	S	S	*	.			trans	-59.2	127.2	-177.4	-65.4	179.2	6.4	0	0	110.1	N260	N260-Q262 VanDerWaalsContact C-N 3.34Å; N260-Q262 PolarHBondContact O-N 3.45Å
263	Q	84.5	Confident	67.3	Low	28 Å²	28	79.3 Å²	79.3	13%	0.131	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.4	175.3	-62.9	-179.3	15.2	0	0	109.7	I42 L43 E261	I42-Q263 HydrophobicContact CG2-CB 3.97Å; I42-Q263 HydrophobicContact CG2-CG 4.41Å; L43-Q263 CarbonylContact O-C 3.49Å; L43-Q263 VanDerWaalsContact O-CA 3.27Å; L43-Q263 WeakPolarHBondContact O-CA 3.29Å; E261-Q263 PolarHBondContact O-N 2.81Å
264	L	84	Confident	69.5	Low	29 Å²	29	73.7 Å²	73.7	15%	0.152	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.6	174.3	-177.3	67.5	0	0	0	110.2	I28 I42 L43 V46 W221 I266	I28-L264 HydrophobicContact CD1-CD2 4.12Å; I28-L264 HydrophobicContact CG2-CD2 4.01Å; I42-L264 CarbonylContact C-O 3.59Å; I42-L264 WeakPolarHBondContact CA-O 3.44Å; L43-L264 PolarHBondContact N-O 3.41Å; L43-L264 PolarHBondContact O-N 3.4Å; V46-L264 HydrophobicContact CB-CB 4.45Å; V46-L264 HydrophobicContact CG1-CD2 3.77Å; V46-L264 HydrophobicContact CG2-CB 3.82Å; V46-L264 HydrophobicContact CG2-CD2 4.47Å; W221-L264 HydrophobicContact CE3-CD1 4.31Å; W221-L264 HydrophobicContact CZ3-CD1 4.41Å; L264-I266 HydrophobicContact CD2-CD1 4.11Å; L264-I266 HydrophobicContact CD2-CG1 3.97Å; L264-I266 HydrophobicContact CG-CG1 4.1Å
265	F	88.6	Confident	71.5	Confident	51 Å²	51	70.4 Å²	70.4	22%	0.224	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.2	168	179.5	-102.1	0	0	0	111.2	N40 L41 I42 R267	N40-F265 HydrophobicContact CB-CE2 3.75Å; N40-F265 HydrophobicContact CB-CZ 3.86Å; L41-F265 CarbonylContact O-C 3.57Å; L41-F265 WeakPolarHBondContact O-CA 3.31Å; I42-F265 HydrophobicContact CG1-CD2 4.13Å; F265-R267 HydrophobicContact CD1-CG 4.47Å; F265-R267 HydrophobicContact CE1-CG 3.59Å; F265-R267 HydrophobicContact CZ-CG 4.22Å
266	I	85.2	Confident	73.7	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.7	175.8	-55.8	174.8	0	0	0	108.5	V16 I28 N40 L41 L43 L264 I271	V16-I266 HydrophobicContact CB-CD1 4.37Å; V16-I266 HydrophobicContact CG1-CD1 4.18Å; I28-I266 HydrophobicContact CD1-CD1 3.82Å; I28-I266 HydrophobicContact CD1-CG1 4.48Å; I28-I266 HydrophobicContact CG2-CD1 4.24Å; N40-I266 CarbonylContact C-O 3.53Å; N40-I266 VanDerWaalsContact CA-O 3.23Å; N40-I266 WeakPolarHBondContact CA-O 3.21Å; L41-I266 HydrophobicContact CB-CB 4.39Å; L41-I266 PolarHBondContact N-O 3.47Å; L41-I266 PolarHBondContact O-N 3.29Å; L43-I266 HydrophobicContact CD1-CD1 3.55Å; L43-I266 HydrophobicContact CG-CD1 4.16Å; L264-I266 HydrophobicContact CD2-CD1 4.11Å; L264-I266 HydrophobicContact CD2-CG1 3.97Å; L264-I266 HydrophobicContact CG-CG1 4.1Å; I266-I271 HydrophobicContact CG2-CD1 4.03Å; I266-I271 HydrophobicContact CG2-CG1 3.79Å
267	R	88.6	Confident	75.8	Confident	81 Å²	81	64.5 Å²	64.5	31%	0.306	34%	0.336	S	S	.	.			trans	-70.3	132.6	171.8	-75.6	-169.2	169.3	120.1	-9.8	111.2	N40 F265 A269 N270	N40-R267 VanDerWaalsContact OD1-CA 3.3Å; N40-R267 WeakPolarHBondContact OD1-CA 3.47Å; F265-R267 HydrophobicContact CD1-CG 4.47Å; F265-R267 HydrophobicContact CE1-CG 3.59Å; F265-R267 HydrophobicContact CZ-CG 4.22Å; R267-A269 PolarHBondContact O-N 2.89Å; R267-N270 WeakPolarHBondContact O-CB 2.95Å; R267-N270 PolarHBondContact O-N 3.31Å
268	G	86.9	Confident	77	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.2	-29.7	-178.6	0	0	0	0	0	114.2	Y38 W39 N40 N270 I271	Y38-G268 WeakPolarHBondContact O-CA 3.16Å; W39-G268 WeakPolarHBondContact O-CA 3.48Å; W39-G268 PolarHBondContact O-N 2.83Å; N40-G268 PolarHBondContact OD1-N 3.4Å; G268-N270 PolarHBondContact O-N 3.07Å; G268-N270 VanDerWaalsContact O-N 3.11Å; G268-I271 WeakPolarHBondContact O-CB 3.32Å; G268-I271 PolarHBondContact O-N 2.9Å
269	A	84.4	Confident	77.6	Confident	60 Å²	60	61.2 Å²	61.2	50%	0.496	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.9	171.3	0	0	0	0	0	111.9	R19 R267 I271	R19-A269 VanDerWaalsContact CD-O 3.31Å; R19-A269 WeakPolarHBondContact CD-O 2.99Å; R19-A269 PolarHBondContact NE-O 3.16Å; R19-A269 PolarHBondContact NH1-O 2.74Å; R19-A269 PolarHBondContact NH2-O 2.69Å; R267-A269 PolarHBondContact O-N 2.89Å; A269-I271 VanDerWaalsContact C-N 3.32Å; A269-I271 PolarHBondContact O-N 3.23Å
270	N	85.4	Confident	77.9	Confident	32 Å²	32	66.6 Å²	66.6	17%	0.171	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-88.1	3.6	-176.1	-67.2	-20.5	0	0	0	114.4	T18 R19 I218 R267 G268	T18-N270 CarbonylContact C-O 3.59Å; T18-N270 VanDerWaalsContact CA-O 3.23Å; T18-N270 WeakPolarHBondContact CA-O 3.3Å; R19-N270 HydrophobicContact CG-CB 4.43Å; R19-N270 PolarHBondContact N-O 3.21Å; R19-N270 PolarHBondContact NE-OD1 2.83Å; I218-N270 PolarHBondContact O-ND2 2.77Å; R267-N270 WeakPolarHBondContact O-CB 2.95Å; R267-N270 PolarHBondContact O-N 3.31Å; G268-N270 PolarHBondContact O-N 3.07Å; G268-N270 VanDerWaalsContact O-N 3.11Å
271	I	85.3	Confident	77.8	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.4	-176.8	-59.9	-178.9	0	0	0	109.8	V16 W39 L41 I266 G268 A269 I274	V16-I271 HydrophobicContact CG1-CD1 4.13Å; V16-I271 HydrophobicContact CG1-CG1 3.96Å; V16-I271 HydrophobicContact CG1-CG2 4.01Å; W39-I271 WeakPolarHBondContact O-CD1 3.14Å; L41-I271 HydrophobicContact CD1-CD1 3.48Å; L41-I271 VanDerWaalsContact CD1-CD1 3.48Å; L41-I271 HydrophobicContact CG-CD1 3.69Å; I266-I271 HydrophobicContact CG2-CD1 4.03Å; I266-I271 HydrophobicContact CG2-CG1 3.79Å; G268-I271 WeakPolarHBondContact O-CB 3.32Å; G268-I271 PolarHBondContact O-N 2.9Å; A269-I271 VanDerWaalsContact C-N 3.32Å; A269-I271 PolarHBondContact O-N 3.23Å; I271-I274 HydrophobicContact CD1-CD1 4.27Å; I271-I274 HydrophobicContact CG2-CD1 4.07Å; I271-I274 HydrophobicContact CG2-CG1 3.58Å
272	I	84.2	Confident	77	Confident	83 Å²	83	66.9 Å²	66.9	43%	0.426	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-46.7	170.8	-60.5	176.7	0	0	0	109.8	M17 R19 P24	M17-I272 HydrophobicContact CB-CB 4.33Å; M17-I272 HydrophobicContact CG-CB 4.44Å; M17-I272 HydrophobicContact CG-CD1 4.4Å; M17-I272 WeakPolarHBondContact O-CB 3.18Å; M17-I272 PolarHBondContact O-N 2.95Å; M17-I272 HydrophobicContact SD-CG2 4.45Å; R19-I272 HydrophobicContact CB-CD1 3.81Å; R19-I272 HydrophobicContact CB-CG1 3.63Å; P24-I272 HydrophobicContact CB-CD1 3.86Å; P24-I272 HydrophobicContact CG-CD1 3.91Å
273	L	85.3	Confident	75.6	Confident	51 Å²	51	69.1 Å²	69.1	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142.7	-170.5	-175.8	71.9	0	0	0	109.9	V16 M17 P111	V16-L273 WeakPolarHBondContact CA-O 3.48Å; M17-L273 HydrophobicContact CB-CB 4.04Å; M17-L273 PolarHBondContact N-O 3.05Å; M17-L273 PolarHBondContact O-N 3.29Å; P111-L273 HydrophobicContact CB-CD1 3.87Å
274	I	86.7	Confident	73.1	Confident	24 Å²	24	77.1 Å²	77.1	12%	0.123	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137	168.9	-53	168.2	0	0	0	108.5	L4 I14 M15 V16 W39 L41 I271	L4-I274 HydrophobicContact CD1-CD1 4.21Å; L4-I274 HydrophobicContact CD2-CG2 3.85Å; I14-I274 HydrophobicContact CB-CG2 4.47Å; I14-I274 HydrophobicContact CD1-CG2 3.97Å; M15-I274 CarbonylContact O-C 3.4Å; M15-I274 WeakPolarHBondContact O-CA 3.47Å; V16-I274 HydrophobicContact CG2-CG2 4.44Å; W39-I274 HydrophobicContact CE3-CD1 3.65Å; W39-I274 HydrophobicContact CZ3-CD1 3.96Å; L41-I274 HydrophobicContact CD1-CD1 3.88Å; L41-I274 HydrophobicContact CD1-CG1 4.31Å; L41-I274 HydrophobicContact CD2-CD1 4.35Å; I271-I274 HydrophobicContact CD1-CD1 4.27Å; I271-I274 HydrophobicContact CG2-CD1 4.07Å; I271-I274 HydrophobicContact CG2-CG1 3.58Å
275	R	86.6	Confident	72.5	Confident	84 Å²	84	79.6 Å²	79.6	32%	0.317	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.3	174.7	-175.5	-177.7	-175.5	170.5	5.3	110.5	I14 M15	I14-R275 CarbonylContact C-O 3.49Å; I14-R275 VanDerWaalsContact CA-O 3.25Å; I14-R275 WeakPolarHBondContact CA-O 3.37Å; M15-R275 HydrophobicContact CB-CB 4.43Å; M15-R275 HydrophobicContact CE-CB 4.35Å; M15-R275 PolarHBondContact N-O 3.47Å; M15-R275 PolarHBondContact O-N 2.93Å
276	I	87.5	Confident	71.7	Confident	61 Å²	61	81.1 Å²	81.1	31%	0.313	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.7	172.3	-57.4	164.7	0	0	0	108.1	S3 A7 I14	S3-I276 WeakPolarHBondContact O-CD1 3.23Å; A7-I276 HydrophobicContact CB-CD1 3.83Å; A7-I276 HydrophobicContact CB-CG1 3.88Å; A7-I276 HydrophobicContact CB-CG2 4.02Å; I14-I276 HydrophobicContact CG2-CG1 4.19Å
277	I	82.3	Confident	70.9	Confident	34 Å²	34	85 Å²	85	17%	0.174	43%	0.426	C	S	.	.			trans	-89.6	104.6	174.9	-52.3	179.1	0	0	0	106.5	Q13 M15 I29	Q13-I277 HydrophobicContact CB-CB 4.13Å; Q13-I277 HydrophobicContact CB-CD1 4.31Å; Q13-I277 WeakPolarHBondContact O-CB 3.47Å; Q13-I277 PolarHBondContact O-N 3.33Å; M15-I277 HydrophobicContact CB-CD1 4.16Å; M15-I277 HydrophobicContact CB-CG1 4.32Å; I29-I277 HydrophobicContact CD1-CD1 4.13Å; I29-I277 HydrophobicContact CG1-CD1 4.37Å; I29-I277 HydrophobicContact CG2-CD1 3.74Å
278	S	66.9	Low	69.9	Low	50 Å²	50	85.2 Å²	85.2	35%	0.35	43%	0.433	S	S	.	.			trans	-72.5	131.1	170.3	63.8	0	0	0	0	109.3	K280 Q281	S278-K280 PolarHBondContact O-N 3.37Å; S278-Q281 PolarHBondContact O-N 3.49Å
279	E	57	Low	68.8	Low	162 Å²	162	90.1 Å²	90.1	76%	0.757	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-53	-21.8	179.4	-68.7	178.7	162.7	0	0	113.9	Q281 L282	E279-Q281 PolarHBondContact O-N 3.38Å; E279-L282 PolarHBondContact O-N 3.44Å
280	K	50.3	Low	67.8	Low	202 Å²	202	92.1 Å²	92.1	88%	0.878	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-59.9	-8.1	173.4	-68.1	-171.1	176.9	-176.1	0	115	S278	S278-K280 PolarHBondContact O-N 3.37Å
281	Q	46.9	Very low	66.5	Low	78 Å²	78	96.4 Å²	96.4	36%	0.364	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-100.9	-6.2	179.8	-63.9	-139.8	-18.3	0	0	115.7	S278 E279	S278-Q281 PolarHBondContact O-N 3.49Å; E279-Q281 PolarHBondContact O-N 3.38Å
282	L	42.6	Very low	65.1	Low	125 Å²	125	102.6 Å²	102.6	65%	0.654	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	2	-174.3	-89.4	155.4	0	0	0	115.3	E279	E279-L282 PolarHBondContact O-N 3.44Å
283	Q	38.3	Very low	63.5	Low	183 Å²	183	104.3 Å²	104.3	86%	0.855	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	5.5	179.7	-77.7	-179	-9.4	0	0	115.5
284	N	31.3	Very low	61.5	Low	197 Å²	197	109.1 Å²	109.1	100%	1.053	53%	0.531	S	S	*	.			trans	-131.3	0	177.8	-72.5	-8.1	0	0	0	112.8	K89	K89-N284 PolarHBondContact NZ-O 3.48Å

Retrieved 284 of 284 residues in 353.4 ms (Link to these results)

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