A0A5K4ESH2_SCHMA Loading...

Putative nebulin AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4ESH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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	39.7	Very low	74.8	Confident	229 Å²	229	98 Å²	98	100%	1.128	55%	0.548	S	S	*	.				0	112.6	0	-72.6	161.8	179	0	0	107	N3	M1-N3 PolarHBondContact O-N 2.87Å; M1-N3 PolarHBondContact O-OD1 2.67Å
2	M	49.4	Very low	76.1	Confident	187 Å²	187	98.2 Å²	98.2	92%	0.921	56%	0.559	S	S	*	*			trans	-75.1	95.1	178.2	-67.4	155.3	-173.5	0	0	107.6	T4	M2-T4 VanDerWaalsContact C-N 3.26Å; M2-T4 PolarHBondContact O-N 3.35Å
3	N	55	Low	77.2	Confident	126 Å²	126	100.1 Å²	100.1	67%	0.674	56%	0.56	S	S	*	*			trans	-61.8	94.3	167.8	-77.1	68.7	0	0	0	107.5	M1 N5	M1-N3 PolarHBondContact O-N 2.87Å; M1-N3 PolarHBondContact O-OD1 2.67Å; N3-N5 PolarHBondContact O-N 3.1Å
4	T	66.9	Low	78.2	Confident	117 Å²	117	96.9 Å²	96.9	72%	0.718	54%	0.544	S	S	*	.			trans	-72.1	69.2	170.9	47.2	0	0	0	0	108.2	M2 K6	M2-T4 VanDerWaalsContact C-N 3.26Å; M2-T4 PolarHBondContact O-N 3.35Å; T4-K6 PolarHBondContact O-N 2.83Å
5	N	71	Confident	79.1	Confident	91 Å²	91	90.9 Å²	90.9	49%	0.487	51%	0.511	S	S	.	.			trans	-59.3	108.7	174.6	-76.6	-21.5	0	0	0	107.4	N3 V14	N3-N5 PolarHBondContact O-N 3.1Å; N5-V14 HydrophobicContact CB-CG1 3.71Å; N5-V14 HydrophobicContact CB-CG2 4.07Å
6	K	84.3	Confident	79.7	Confident	111 Å²	111	95.3 Å²	95.3	48%	0.483	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-74.5	130.8	-178.2	-59.3	-179.4	176.5	-73.9	0	108.3	T4 V15 V27	T4-K6 PolarHBondContact O-N 2.83Å; K6-V15 PolarHBondContact O-N 2.83Å; K6-V27 HydrophobicContact CB-CB 4.23Å; K6-V27 HydrophobicContact CB-CG1 4.02Å; K6-V27 HydrophobicContact CB-CG2 3.29Å; K6-V27 HydrophobicContact CD-CG1 3.85Å; K6-V27 HydrophobicContact CD-CG2 4.44Å; K6-V27 HydrophobicContact CG-CG2 4.48Å
7	A	90.5	Very high	80.2	Confident	50 Å²	50	96.3 Å²	96.3	41%	0.413	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-83.2	142.1	180	0	0	0	0	0	111.1	A9 E13 V27	A7-A9 PolarHBondContact O-N 2.94Å; A7-E13 CarbonylContact C-O 3.56Å; A7-E13 WeakPolarHBondContact CA-O 3.48Å; A7-V27 WeakPolarHBondContact O-CG2 2.92Å
8	C	93.4	Very high	80.6	Confident	2 Å²	2	98.8 Å²	98.8	1%	0.014	54%	0.542	C	S	.	.	B	Isolated β-bridge	trans	-61.9	133.5	178.8	178	0	0	0	0	111.2	S10 C11 C12 E13 V15 V27 H29	C8-S10 PolarHBondContact O-N 3.36Å; C8-S10 VanDerWaalsContact O-N 3.17Å; C8-S10 PolarHBondContact SG-N 2.95Å; C8-S10 VanDerWaalsContact SG-N 3.38Å; C8-C11 VanDerWaalsContact CB-SG 3.56Å; C8-C12 WeakPolarHBondContact O-CA 3.32Å; C8-C12 PolarHBondContact O-N 2.9Å; C8-E13 PolarHBondContact N-O 2.99Å; C8-V15 HydrophobicContact CB-CG2 3.59Å; C8-V27 CarbonylContact C-O 3.52Å; C8-V27 VanDerWaalsContact CA-O 3.26Å; C8-V27 WeakPolarHBondContact CA-O 3.4Å; C8-H29 VanDerWaalsContact CB-CE1 3.45Å; C8-H29 WeakPolarHBondContact CB-CE1 3.33Å; C8-H29 VanDerWaalsContact CB-ND1 3.34Å; C8-H29 WeakPolarHBondContact CB-ND1 3.46Å
9	A	90.5	Very high	81.1	Confident	43 Å²	43	97.3 Å²	97.3	36%	0.355	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	178.1	0	0	0	0	0	114.9	A7 Q26 V27 W28	A7-A9 PolarHBondContact O-N 2.94Å; A9-Q26 HydrophobicContact CB-CB 3.95Å; A9-Q26 HydrophobicContact CB-CG 4.27Å; A9-V27 PolarHBondContact N-O 2.97Å; A9-W28 HydrophobicContact CB-CD2 4.06Å; A9-W28 HydrophobicContact CB-CE3 4.24Å; A9-W28 HydrophobicContact CB-CH2 3.76Å; A9-W28 HydrophobicContact CB-CZ2 3.56Å; A9-W28 HydrophobicContact CB-CZ3 4.1Å
10	S	89.1	Confident	81.5	Confident	71 Å²	71	95 Å²	95	50%	0.497	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-50	178.9	176.9	0	0	0	0	113.3	C8	C8-S10 PolarHBondContact O-N 3.36Å; C8-S10 VanDerWaalsContact O-N 3.17Å; C8-S10 PolarHBondContact SG-N 2.95Å; C8-S10 VanDerWaalsContact SG-N 3.38Å
11	C	92.8	Very high	82	Confident	51 Å²	51	91.5 Å²	91.5	35%	0.345	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-2.5	-175.8	67	0	0	0	0	114.2	C8 E13 H29	C8-C11 VanDerWaalsContact CB-SG 3.56Å; C11-E13 PolarHBondContact O-N 2.94Å; C11-H29 PolarHBondContact SG-CE1 3.37Å; C11-H29 PolarHBondContact SG-ND1 3.26Å
12	C	90	Very high	84.4	Confident	100 Å²	100	88 Å²	88	68%	0.676	47%	0.473	S	S	*	.			trans	60.1	8.7	-179.1	-57.8	0	0	0	0	115.8	C8	C8-C12 WeakPolarHBondContact O-CA 3.32Å; C8-C12 PolarHBondContact O-N 2.9Å
13	E	91	Very high	86.2	Confident	123 Å²	123	79.4 Å²	79.4	58%	0.575	43%	0.431	S	S	*	.	S	Bend	trans	-88.5	159.2	174.8	-64.6	-149.1	175.1	0	0	113.2	A7 C8 C11 V15	A7-E13 CarbonylContact C-O 3.56Å; A7-E13 WeakPolarHBondContact CA-O 3.48Å; C8-E13 PolarHBondContact N-O 2.99Å; C11-E13 PolarHBondContact O-N 2.94Å; E13-V15 PolarHBondContact O-N 3.42Å
14	V	91.8	Very high	87.6	Confident	55 Å²	55	75.8 Å²	75.8	33%	0.333	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-59.7	130.9	178.6	169.6	0	0	0	0	110.9	N5 H29	N5-V14 HydrophobicContact CB-CG1 3.71Å; N5-V14 HydrophobicContact CB-CG2 4.07Å; V14-H29 PolarHBondContact O-NE2 2.99Å
15	V	91.5	Very high	88.5	Confident	8 Å²	8	77.6 Å²	77.6	5%	0.048	42%	0.415	C	S	.	.			trans	-97.7	113.2	174.8	-169.9	0	0	0	0	109.6	K6 C8 E13 L20 V27	K6-V15 PolarHBondContact O-N 2.83Å; C8-V15 HydrophobicContact CB-CG2 3.59Å; E13-V15 PolarHBondContact O-N 3.42Å; V15-L20 HydrophobicContact CB-CD1 3.88Å; V15-L20 HydrophobicContact CG1-CB 4.02Å; V15-L20 HydrophobicContact CG1-CD1 3.52Å; V15-L20 HydrophobicContact CG1-CG 4.4Å; V15-V27 HydrophobicContact CG2-CB 4.44Å; V15-V27 HydrophobicContact CG2-CG2 4.45Å
16	Y	88.5	Confident	89.4	Confident	161 Å²	161	77.3 Å²	77.3	63%	0.631	41%	0.411	S	S	*	.			trans	-73.2	150.1	172.9	-67.8	-79.9	0	0	0	111.1	L18 E19 L20	Y16-L18 PolarHBondContact O-N 3.5Å; Y16-E19 PolarHBondContact O-N 2.94Å; Y16-L20 PolarHBondContact O-N 3.03Å
17	P	88.1	Confident	89.7	Confident	112 Å²	112	72.3 Å²	72.3	73%	0.727	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-51.2	-31.2	-177	-30.5	36.2	0	0	0	115.7	L20	P17-L20 WeakPolarHBondContact O-CB 3.37Å; P17-L20 PolarHBondContact O-N 3.47Å
18	L	87.6	Confident	89.8	Confident	141 Å²	141	70.7 Å²	70.7	74%	0.738	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-66.5	-36.5	179.4	-172.1	64.6	0	0	0	113	Y16 R30	Y16-L18 PolarHBondContact O-N 3.5Å; L18-R30 PolarHBondContact O-NE 3.45Å
19	E	90	Very high	89.8	Confident	70 Å²	70	70.9 Å²	70.9	33%	0.327	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-99.3	6.2	-177.3	-70.9	-62.9	133.6	0	0	112.7	Y16 I21 H29 R30	Y16-E19 PolarHBondContact O-N 2.94Å; E19-I21 PolarHBondContact O-N 3.45Å; E19-H29 CarbonylContact O-C 3.55Å; E19-H29 WeakPolarHBondContact O-CA 3.32Å; E19-R30 PolarHBondContact O-N 3.33Å; E19-R30 VanDerWaalsContact O-N 3.11Å; E19-R30 VanDerWaalsContact OE2-CB 3.24Å; E19-R30 WeakPolarHBondContact OE2-CB 3.39Å; E19-R30 WeakPolarHBondContact OE2-CD 3.43Å; E19-R30 WeakPolarHBondContact OE2-CG 3.5Å
20	L	89.7	Confident	89.9	Confident	51 Å²	51	76.1 Å²	76.1	27%	0.267	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.6	-168.4	-173	70	0	0	0	112.7	V15 Y16 P17 R22 V27	V15-L20 HydrophobicContact CB-CD1 3.88Å; V15-L20 HydrophobicContact CG1-CB 4.02Å; V15-L20 HydrophobicContact CG1-CD1 3.52Å; V15-L20 HydrophobicContact CG1-CG 4.4Å; Y16-L20 PolarHBondContact O-N 3.03Å; P17-L20 WeakPolarHBondContact O-CB 3.37Å; P17-L20 PolarHBondContact O-N 3.47Å; L20-R22 HydrophobicContact CD2-CG 4.48Å; L20-R22 HydrophobicContact CG-CG 4.35Å; L20-V27 HydrophobicContact CD1-CB 3.8Å; L20-V27 HydrophobicContact CD1-CG1 3.45Å; L20-V27 VanDerWaalsContact CD1-CG1 3.45Å; L20-V27 HydrophobicContact CG-CG1 4.47Å
21	I	91.5	Very high	90	Very high	23 Å²	23	79.9 Å²	79.9	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.2	165.3	-59.6	-177.4	0	0	0	108.5	E19 V27 W28 R30 F33 I44	E19-I21 PolarHBondContact O-N 3.45Å; I21-V27 CarbonylContact O-C 3.44Å; I21-V27 VanDerWaalsContact O-CA 3.3Å; I21-V27 WeakPolarHBondContact O-CA 3.48Å; I21-W28 HydrophobicContact CB-CB 4.32Å; I21-W28 PolarHBondContact N-O 3.13Å; I21-W28 PolarHBondContact O-N 2.98Å; I21-R30 HydrophobicContact CD1-CB 4.22Å; I21-R30 HydrophobicContact CD1-CG 4Å; I21-R30 HydrophobicContact CG1-CG 4.1Å; I21-F33 HydrophobicContact CD1-CB 3.88Å; I21-F33 HydrophobicContact CD1-CD1 4.07Å; I21-F33 HydrophobicContact CD1-CG 4.11Å; I21-F33 HydrophobicContact CG2-CD1 4.38Å; I21-F33 HydrophobicContact CG2-CD2 4.36Å; I21-F33 HydrophobicContact CG2-CE2 4.46Å; I21-F33 HydrophobicContact CG2-CG 4.32Å; I21-I44 HydrophobicContact CG2-CD1 4.34Å
22	R	90.8	Very high	90	Very high	156 Å²	156	78.4 Å²	78.4	59%	0.589	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.8	175.4	-68	176.3	-176.5	-98.2	2.7	109.3	L20 Q26 V27	L20-R22 HydrophobicContact CD2-CG 4.48Å; L20-R22 HydrophobicContact CG-CG 4.35Å; R22-Q26 WeakPolarHBondContact CA-O 3.4Å; R22-V27 HydrophobicContact CG-CG1 4.02Å
23	C	86.6	Confident	90.1	Very high	6 Å²	6	73.7 Å²	73.7	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	140.6	-176.1	-173.7	0	0	0	0	110.4	D25 Q26 W28 F33 Y47	C23-D25 VanDerWaalsContact C-N 3.27Å; C23-D25 PolarHBondContact O-N 3.05Å; C23-Q26 PolarHBondContact N-O 3.43Å; C23-Q26 CarbonylContact O-C 3.48Å; C23-Q26 WeakPolarHBondContact O-CA 3.35Å; C23-Q26 WeakPolarHBondContact O-CB 3.45Å; C23-Q26 PolarHBondContact O-N 3.45Å; C23-W28 PolarHBondContact O-NE1 3.33Å; C23-F33 HydrophobicContact CB-CE2 3.87Å; C23-F33 HydrophobicContact CB-CZ 4.19Å; C23-Y47 WeakPolarHBondContact SG-CE2 3.35Å
24	F	84.6	Confident	90.2	Very high	49 Å²	49	73.3 Å²	73.3	22%	0.215	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.8	-176.2	-52.8	-65.6	0	0	0	115.1	Q26 Y47 G49 K53	F24-Q26 PolarHBondContact O-N 2.96Å; F24-Q26 VanDerWaalsContact O-N 3.1Å; F24-Y47 HydrophobicContact CE1-CE2 4.12Å; F24-Y47 AromaticContact CE2-CD2 3.83Å; F24-Y47 HydrophobicContact CE2-CD2 3.83Å; F24-Y47 AromaticContact CE2-CE2 3.81Å; F24-Y47 HydrophobicContact CE2-CE2 3.81Å; F24-Y47 AromaticContact CZ-CD2 3.62Å; F24-Y47 HydrophobicContact CZ-CD2 3.62Å; F24-Y47 AromaticContact CZ-CE2 3.36Å; F24-Y47 HydrophobicContact CZ-CE2 3.36Å; F24-G49 VanDerWaalsContact CE1-CA 3.41Å; F24-K53 HydrophobicContact CB-CB 3.84Å; F24-K53 HydrophobicContact CB-CG 4.33Å; F24-K53 WeakPolarHBondContact CD2-O 3.33Å; F24-K53 HydrophobicContact CG-CB 4.29Å
25	D	85.7	Confident	90.3	Very high	155 Å²	155	70.8 Å²	70.8	83%	0.829	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	13.5	-172.6	-52.7	-48.2	0	0	0	114.8	C23	C23-D25 VanDerWaalsContact C-N 3.27Å; C23-D25 PolarHBondContact O-N 3.05Å
26	Q	88.7	Confident	90.2	Very high	86 Å²	86	76.5 Å²	76.5	40%	0.402	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	164.1	178	-63	-62.8	-13.4	0	0	110.9	A9 R22 C23 F24	A9-Q26 HydrophobicContact CB-CB 3.95Å; A9-Q26 HydrophobicContact CB-CG 4.27Å; R22-Q26 WeakPolarHBondContact CA-O 3.4Å; C23-Q26 PolarHBondContact N-O 3.43Å; C23-Q26 CarbonylContact O-C 3.48Å; C23-Q26 WeakPolarHBondContact O-CA 3.35Å; C23-Q26 WeakPolarHBondContact O-CB 3.45Å; C23-Q26 PolarHBondContact O-N 3.45Å; F24-Q26 PolarHBondContact O-N 2.96Å; F24-Q26 VanDerWaalsContact O-N 3.1Å
27	V	92	Very high	90.3	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.3	174.8	-76.4	0	0	0	0	110.6	K6 A7 C8 A9 V15 L20 I21 R22	K6-V27 HydrophobicContact CB-CB 4.23Å; K6-V27 HydrophobicContact CB-CG1 4.02Å; K6-V27 HydrophobicContact CB-CG2 3.29Å; K6-V27 HydrophobicContact CD-CG1 3.85Å; K6-V27 HydrophobicContact CD-CG2 4.44Å; K6-V27 HydrophobicContact CG-CG2 4.48Å; A7-V27 WeakPolarHBondContact O-CG2 2.92Å; C8-V27 CarbonylContact C-O 3.52Å; C8-V27 VanDerWaalsContact CA-O 3.26Å; C8-V27 WeakPolarHBondContact CA-O 3.4Å; A9-V27 PolarHBondContact N-O 2.97Å; V15-V27 HydrophobicContact CG2-CB 4.44Å; V15-V27 HydrophobicContact CG2-CG2 4.45Å; L20-V27 HydrophobicContact CD1-CB 3.8Å; L20-V27 HydrophobicContact CD1-CG1 3.45Å; L20-V27 VanDerWaalsContact CD1-CG1 3.45Å; L20-V27 HydrophobicContact CG-CG1 4.47Å; I21-V27 CarbonylContact O-C 3.44Å; I21-V27 VanDerWaalsContact O-CA 3.3Å; I21-V27 WeakPolarHBondContact O-CA 3.48Å; R22-V27 HydrophobicContact CG-CG1 4.02Å
28	W	92.9	Very high	90.6	Very high	16 Å²	16	72.9 Å²	72.9	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145	-175.3	-53.8	78.2	0	0	0	109.1	A9 I21 C23 F33 P55	A9-W28 HydrophobicContact CB-CD2 4.06Å; A9-W28 HydrophobicContact CB-CE3 4.24Å; A9-W28 HydrophobicContact CB-CH2 3.76Å; A9-W28 HydrophobicContact CB-CZ2 3.56Å; A9-W28 HydrophobicContact CB-CZ3 4.1Å; I21-W28 HydrophobicContact CB-CB 4.32Å; I21-W28 PolarHBondContact N-O 3.13Å; I21-W28 PolarHBondContact O-N 2.98Å; C23-W28 PolarHBondContact O-NE1 3.33Å; W28-F33 HydrophobicContact CB-CB 4.29Å; W28-F33 HydrophobicContact CB-CD2 4.01Å; W28-F33 HydrophobicContact CD2-CD2 4.05Å; W28-F33 HydrophobicContact CE3-CD2 4.44Å; W28-F33 AromaticContact CG-CD2 3.84Å; W28-F33 HydrophobicContact CG-CD2 3.84Å; W28-F33 HydrophobicContact CG-CE2 4.44Å; W28-P55 HydrophobicContact CH2-CG 4.31Å; W28-P55 HydrophobicContact CZ3-CG 4.28Å
29	H	93.3	Very high	90.7	Very high	6 Å²	6	68 Å²	68	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.1	163	-56.6	102.8	0	0	0	109.8	C8 C11 V14 E19 R31 C32 F33	C8-H29 VanDerWaalsContact CB-CE1 3.45Å; C8-H29 WeakPolarHBondContact CB-CE1 3.33Å; C8-H29 VanDerWaalsContact CB-ND1 3.34Å; C8-H29 WeakPolarHBondContact CB-ND1 3.46Å; C11-H29 PolarHBondContact SG-CE1 3.37Å; C11-H29 PolarHBondContact SG-ND1 3.26Å; V14-H29 PolarHBondContact O-NE2 2.99Å; E19-H29 CarbonylContact O-C 3.55Å; E19-H29 WeakPolarHBondContact O-CA 3.32Å; H29-R31 HydrophobicContact CB-CG 3.74Å; H29-R31 PolarHBondContact O-N 2.95Å; H29-C32 HydrophobicContact CB-CB 4.06Å; H29-C32 PolarHBondContact O-N 2.91Å; H29-F33 PolarHBondContact O-N 2.99Å
30	R	91.5	Very high	90.8	Very high	154 Å²	154	69.2 Å²	69.2	58%	0.581	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.1	172.8	-58.3	177.3	169.2	-127.3	-3.1	112.2	L18 E19 I21 C32	L18-R30 PolarHBondContact O-NE 3.45Å; E19-R30 PolarHBondContact O-N 3.33Å; E19-R30 VanDerWaalsContact O-N 3.11Å; E19-R30 VanDerWaalsContact OE2-CB 3.24Å; E19-R30 WeakPolarHBondContact OE2-CB 3.39Å; E19-R30 WeakPolarHBondContact OE2-CD 3.43Å; E19-R30 WeakPolarHBondContact OE2-CG 3.5Å; I21-R30 HydrophobicContact CD1-CB 4.22Å; I21-R30 HydrophobicContact CD1-CG 4Å; I21-R30 HydrophobicContact CG1-CG 4.1Å; R30-C32 VanDerWaalsContact C-N 3.35Å; R30-C32 PolarHBondContact O-N 3.03Å
31	R	91.8	Very high	90.9	Very high	149 Å²	149	69.4 Å²	69.4	56%	0.562	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.2	175.8	59.2	175.1	169.2	146.6	-0	115	H29 R34	H29-R31 HydrophobicContact CB-CG 3.74Å; H29-R31 PolarHBondContact O-N 2.95Å; R31-R34 PolarHBondContact O-NE 3.48Å
32	C	92.6	Very high	90.9	Very high	21 Å²	21	68.9 Å²	68.9	14%	0.142	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-16.4	-176.7	-69.6	0	0	0	0	112.6	H29 R30 R34	H29-C32 HydrophobicContact CB-CB 4.06Å; H29-C32 PolarHBondContact O-N 2.91Å; R30-C32 VanDerWaalsContact C-N 3.35Å; R30-C32 PolarHBondContact O-N 3.03Å; C32-R34 VanDerWaalsContact C-N 3.3Å; C32-R34 PolarHBondContact O-N 3.39Å
33	F	93.2	Very high	90.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.			trans	-77	82.2	179.2	-162.7	-117	0	0	0	110.3	I21 C23 W28 H29 L42 Y47 P55	I21-F33 HydrophobicContact CD1-CB 3.88Å; I21-F33 HydrophobicContact CD1-CD1 4.07Å; I21-F33 HydrophobicContact CD1-CG 4.11Å; I21-F33 HydrophobicContact CG2-CD1 4.38Å; I21-F33 HydrophobicContact CG2-CD2 4.36Å; I21-F33 HydrophobicContact CG2-CE2 4.46Å; I21-F33 HydrophobicContact CG2-CG 4.32Å; C23-F33 HydrophobicContact CB-CE2 3.87Å; C23-F33 HydrophobicContact CB-CZ 4.19Å; W28-F33 HydrophobicContact CB-CB 4.29Å; W28-F33 HydrophobicContact CB-CD2 4.01Å; W28-F33 HydrophobicContact CD2-CD2 4.05Å; W28-F33 HydrophobicContact CE3-CD2 4.44Å; W28-F33 AromaticContact CG-CD2 3.84Å; W28-F33 HydrophobicContact CG-CD2 3.84Å; W28-F33 HydrophobicContact CG-CE2 4.44Å; H29-F33 PolarHBondContact O-N 2.99Å; F33-L42 HydrophobicContact CD1-CB 3.71Å; F33-L42 WeakPolarHBondContact CD1-O 3.38Å; F33-L42 HydrophobicContact CE1-CB 3.75Å; F33-L42 PolarHBondContact O-N 3.37Å; F33-Y47 HydrophobicContact CE1-CD1 4.07Å; F33-Y47 HydrophobicContact CE1-CG 4.01Å; F33-Y47 VanDerWaalsContact CZ-CB 3.47Å; F33-Y47 AromaticContact CZ-CD1 3.79Å; F33-Y47 HydrophobicContact CZ-CD1 3.79Å; F33-Y47 HydrophobicContact CZ-CD2 4.13Å; F33-Y47 AromaticContact CZ-CG 3.52Å; F33-Y47 HydrophobicContact CZ-CG 3.52Å; F33-P55 HydrophobicContact CD2-CB 3.99Å; F33-P55 HydrophobicContact CD2-CG 3.86Å; F33-P55 HydrophobicContact CE2-CB 3.45Å; F33-P55 VanDerWaalsContact CE2-CB 3.45Å; F33-P55 HydrophobicContact CE2-CG 3.79Å; F33-P55 HydrophobicContact CZ-CB 3.78Å
34	R	92.5	Very high	90.9	Very high	116 Å²	116	67.9 Å²	67.9	44%	0.438	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-130.1	149.3	-174.2	-66	178.9	-179.8	-84.7	-3.5	110.6	R31 C32 Q36 G39 M40	R31-R34 PolarHBondContact O-NE 3.48Å; C32-R34 VanDerWaalsContact C-N 3.3Å; C32-R34 PolarHBondContact O-N 3.39Å; R34-Q36 PolarHBondContact O-N 3.02Å; R34-G39 WeakPolarHBondContact CD-O 3.36Å; R34-G39 PolarHBondContact NH1-O 3.49Å; R34-M40 CarbonylContact C-O 3.59Å; R34-M40 VanDerWaalsContact CA-O 3.25Å; R34-M40 WeakPolarHBondContact CA-O 3.5Å
35	C	93.5	Very high	91	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.014	37%	0.367	C	S	.	.			trans	-59.7	125.1	174.6	177.3	0	0	0	0	110.1	H37 C38 G39 M40 L42 P55 C57	C35-H37 PolarHBondContact O-N 3.44Å; C35-H37 VanDerWaalsContact O-N 3.15Å; C35-H37 PolarHBondContact SG-N 3.13Å; C35-C38 WeakPolarHBondContact CB-SG 3.26Å; C35-G39 VanDerWaalsContact O-CA 3.29Å; C35-G39 WeakPolarHBondContact O-CA 3.08Å; C35-G39 PolarHBondContact O-N 3.02Å; C35-M40 PolarHBondContact N-O 3.01Å; C35-L42 HydrophobicContact CB-CD1 3.9Å; C35-L42 HydrophobicContact CB-CG 4.3Å; C35-P55 WeakPolarHBondContact CA-O 3.47Å; C35-C57 HydrophobicContact CB-CB 4.18Å; C35-C57 PolarHBondContact SG-N 3.45Å; C35-C57 VanDerWaalsContact SG-N 3.35Å
36	Q	90.1	Very high	91.1	Very high	127 Å²	127	66.8 Å²	66.8	59%	0.593	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.6	179.5	-174.9	63.9	34.3	0	0	113.2	R34 K54 P55 Y56	R34-Q36 PolarHBondContact O-N 3.02Å; Q36-K54 HydrophobicContact CG-CD 4.35Å; Q36-P55 PolarHBondContact N-O 3.15Å; Q36-Y56 HydrophobicContact CB-CE1 4.02Å
37	H	90	Very high	91.1	Very high	138 Å²	138	66 Å²	66	64%	0.639	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-44.4	-176.6	-168.5	-87.3	0	0	0	113.3	C35 H60	C35-H37 PolarHBondContact O-N 3.44Å; C35-H37 VanDerWaalsContact O-N 3.15Å; C35-H37 PolarHBondContact SG-N 3.13Å; H37-H60 HydrophobicContact CB-CB 3.73Å; H37-H60 AromaticContact CE1-CD2 3.69Å; H37-H60 AromaticContact CE1-NE2 3.65Å; H37-H60 AromaticContact CG-CD2 3.7Å; H37-H60 AromaticContact CG-CG 3.69Å; H37-H60 AromaticContact ND1-CD2 3.13Å; H37-H60 PolarHBondContact ND1-CD2 2.83Å; H37-H60 AromaticContact ND1-CE1 3.45Å; H37-H60 PolarHBondContact ND1-CE1 3.46Å; H37-H60 AromaticContact ND1-CG 3.48Å; H37-H60 AromaticContact ND1-ND1 3.63Å; H37-H60 AromaticContact ND1-NE2 3.1Å; H37-H60 PolarHBondContact ND1-NE2 2.97Å
38	C	93.3	Very high	90.9	Very high	60 Å²	60	69.7 Å²	69.7	41%	0.405	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-4.7	-176.5	61.8	0	0	0	0	116.1	C35 M40 H60	C35-C38 WeakPolarHBondContact CB-SG 3.26Å; C38-M40 PolarHBondContact O-N 3.49Å; C38-M40 VanDerWaalsContact O-N 3.07Å; C38-M40 VanDerWaalsContact SG-CB 3.56Å; C38-H60 VanDerWaalsContact CB-CE1 3.41Å; C38-H60 WeakPolarHBondContact CB-CE1 3.26Å; C38-H60 PolarHBondContact SG-ND1 3.26Å; C38-H60 VanDerWaalsContact SG-ND1 3.39Å
39	G	90.4	Very high	90.5	Very high	37 Å²	37	71 Å²	71	38%	0.381	37%	0.373	S	S	.	.			trans	68.8	2.2	-177.9	0	0	0	0	0	115.3	R34 C35 A41	R34-G39 WeakPolarHBondContact CD-O 3.36Å; R34-G39 PolarHBondContact NH1-O 3.49Å; C35-G39 VanDerWaalsContact O-CA 3.29Å; C35-G39 WeakPolarHBondContact O-CA 3.08Å; C35-G39 PolarHBondContact O-N 3.02Å; G39-A41 PolarHBondContact O-N 3.35Å
40	M	91.6	Very high	89.8	Confident	97 Å²	97	71.1 Å²	71.1	48%	0.478	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60	132.9	177.2	-173.7	173.8	73.6	0	0	110.1	R34 C35 C38 L42 C57	R34-M40 CarbonylContact C-O 3.59Å; R34-M40 VanDerWaalsContact CA-O 3.25Å; R34-M40 WeakPolarHBondContact CA-O 3.5Å; C35-M40 PolarHBondContact N-O 3.01Å; C38-M40 PolarHBondContact O-N 3.49Å; C38-M40 VanDerWaalsContact O-N 3.07Å; C38-M40 VanDerWaalsContact SG-CB 3.56Å; M40-L42 HydrophobicContact CE-CD2 4.06Å; M40-L42 PolarHBondContact O-N 3.35Å; M40-C57 HydrophobicContact CE-CB 3.46Å; M40-C57 VanDerWaalsContact CE-CB 3.46Å
41	A	92.3	Very high	89.1	Confident	54 Å²	54	72.3 Å²	72.3	45%	0.446	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-62.4	122.7	175.2	0	0	0	0	0	109.8	G39	G39-A41 PolarHBondContact O-N 3.35Å
42	L	91.2	Very high	88.7	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.063	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-98.6	158.4	176.1	-62.5	171.8	0	0	0	108.8	F33 C35 M40 N46 P55 Y56 C57	F33-L42 HydrophobicContact CD1-CB 3.71Å; F33-L42 WeakPolarHBondContact CD1-O 3.38Å; F33-L42 HydrophobicContact CE1-CB 3.75Å; F33-L42 PolarHBondContact O-N 3.37Å; C35-L42 HydrophobicContact CB-CD1 3.9Å; C35-L42 HydrophobicContact CB-CG 4.3Å; M40-L42 HydrophobicContact CE-CD2 4.06Å; M40-L42 PolarHBondContact O-N 3.35Å; L42-N46 WeakPolarHBondContact CA-OD1 3.44Å; L42-N46 WeakPolarHBondContact CB-OD1 3.45Å; L42-N46 WeakPolarHBondContact CD2-OD1 2.93Å; L42-P55 HydrophobicContact CD1-CB 3.75Å; L42-Y56 VanDerWaalsContact CD1-C 3.5Å; L42-Y56 WeakPolarHBondContact CD1-O 3.25Å; L42-C57 HydrophobicContact CD2-CB 3.87Å
43	S	88.9	Confident	88.4	Confident	48 Å²	48	72.7 Å²	72.7	34%	0.336	39%	0.388	S	S	.	.			trans	-123.8	164.6	172.7	77.3	0	0	0	0	108	C45 N46 Y47	S43-C45 PolarHBondContact O-N 3.05Å; S43-C45 PolarHBondContact OG-N 3.09Å; S43-N46 VanDerWaalsContact N-CG 3.35Å; S43-N46 PolarHBondContact N-ND2 3.01Å; S43-N46 PolarHBondContact N-OD1 3.44Å; S43-N46 PolarHBondContact O-N 2.71Å; S43-N46 VanDerWaalsContact O-N 3.07Å; S43-N46 PolarHBondContact O-OD1 2.76Å; S43-N46 PolarHBondContact OG-N 3.4Å; S43-Y47 PolarHBondContact O-N 3.37Å
44	I	88.4	Confident	88.1	Confident	93 Å²	93	76.4 Å²	76.4	48%	0.477	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.6	177.7	-163.1	67.7	0	0	0	113	I21 Y47	I21-I44 HydrophobicContact CG2-CD1 4.34Å; I44-Y47 HydrophobicContact CD1-CD1 4.41Å; I44-Y47 HydrophobicContact CD1-CE1 3.74Å; I44-Y47 HydrophobicContact CG1-CE1 4.3Å; I44-Y47 WeakPolarHBondContact O-CD1 3.37Å; I44-Y47 WeakPolarHBondContact O-CE1 3.36Å
45	C	86.5	Confident	88	Confident	120 Å²	120	71 Å²	71	81%	0.811	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-20.7	-180	-51.2	0	0	0	0	113.9	S43	S43-C45 PolarHBondContact O-N 3.05Å; S43-C45 PolarHBondContact OG-N 3.09Å
46	N	87.8	Confident	88	Confident	62 Å²	62	72.3 Å²	72.3	33%	0.332	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-5.9	-171.2	75.5	14.6	0	0	0	114.2	L42 S43 H48	L42-N46 WeakPolarHBondContact CA-OD1 3.44Å; L42-N46 WeakPolarHBondContact CB-OD1 3.45Å; L42-N46 WeakPolarHBondContact CD2-OD1 2.93Å; S43-N46 VanDerWaalsContact N-CG 3.35Å; S43-N46 PolarHBondContact N-ND2 3.01Å; S43-N46 PolarHBondContact N-OD1 3.44Å; S43-N46 PolarHBondContact O-N 2.71Å; S43-N46 VanDerWaalsContact O-N 3.07Å; S43-N46 PolarHBondContact O-OD1 2.76Å; S43-N46 PolarHBondContact OG-N 3.4Å; N46-H48 PolarHBondContact O-ND1 3.4Å
47	Y	89.7	Confident	88.1	Confident	70 Å²	70	66.6 Å²	66.6	28%	0.275	36%	0.363	S	S	.	.			trans	-74.6	150.2	177.9	83.6	-85.9	0	0	0	110.7	C23 F24 F33 S43 I44	C23-Y47 WeakPolarHBondContact SG-CE2 3.35Å; F24-Y47 HydrophobicContact CE1-CE2 4.12Å; F24-Y47 AromaticContact CE2-CD2 3.83Å; F24-Y47 HydrophobicContact CE2-CD2 3.83Å; F24-Y47 AromaticContact CE2-CE2 3.81Å; F24-Y47 HydrophobicContact CE2-CE2 3.81Å; F24-Y47 AromaticContact CZ-CD2 3.62Å; F24-Y47 HydrophobicContact CZ-CD2 3.62Å; F24-Y47 AromaticContact CZ-CE2 3.36Å; F24-Y47 HydrophobicContact CZ-CE2 3.36Å; F33-Y47 HydrophobicContact CE1-CD1 4.07Å; F33-Y47 HydrophobicContact CE1-CG 4.01Å; F33-Y47 VanDerWaalsContact CZ-CB 3.47Å; F33-Y47 AromaticContact CZ-CD1 3.79Å; F33-Y47 HydrophobicContact CZ-CD1 3.79Å; F33-Y47 HydrophobicContact CZ-CD2 4.13Å; F33-Y47 AromaticContact CZ-CG 3.52Å; F33-Y47 HydrophobicContact CZ-CG 3.52Å; S43-Y47 PolarHBondContact O-N 3.37Å; I44-Y47 HydrophobicContact CD1-CD1 4.41Å; I44-Y47 HydrophobicContact CD1-CE1 3.74Å; I44-Y47 HydrophobicContact CG1-CE1 4.3Å; I44-Y47 WeakPolarHBondContact O-CD1 3.37Å; I44-Y47 WeakPolarHBondContact O-CE1 3.36Å
48	H	88.5	Confident	88.1	Confident	81 Å²	81	63 Å²	63	38%	0.375	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.8	170.9	-67.4	63.2	0	0	0	108.7	N46 Y56 T61	N46-H48 PolarHBondContact O-ND1 3.4Å; H48-Y56 PolarHBondContact N-O 2.9Å; H48-Y56 PolarHBondContact O-N 3.42Å; H48-T61 HydrophobicContact CB-CG2 3.03Å
49	G	83.4	Confident	88	Confident	44 Å²	44	64.2 Å²	64.2	45%	0.454	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124	-178.1	0	0	0	0	0	113.5	F24	F24-G49 VanDerWaalsContact CE1-CA 3.41Å
50	G	78.7	Confident	87.9	Confident	9 Å²	9	65.4 Å²	65.4	9%	0.093	37%	0.367	C	S	.	.			trans	-80.1	161.8	159	0	0	0	0	0	110.8	D52 K53 K54	G50-D52 PolarHBondContact O-N 3.48Å; G50-D52 VanDerWaalsContact O-N 3.1Å; G50-K53 PolarHBondContact O-N 3.36Å; G50-K54 PolarHBondContact N-O 3.47Å
51	Y	77.5	Confident	87.6	Confident	179 Å²	179	62.5 Å²	62.5	70%	0.702	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.9	174.1	-63.2	-80.2	0	0	0	113.3	K53 P64	Y51-K53 PolarHBondContact O-N 2.87Å; Y51-P64 HydrophobicContact CE2-CB 4.27Å; Y51-P64 WeakPolarHBondContact OH-CB 3.28Å; Y51-P64 WeakPolarHBondContact OH-CD 3.47Å; Y51-P64 VanDerWaalsContact OH-CG 3.27Å; Y51-P64 WeakPolarHBondContact OH-CG 3.37Å
52	D	83.4	Confident	87.1	Confident	64 Å²	64	62.5 Å²	62.5	34%	0.342	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	15.4	-178	69	-34.5	0	0	0	114.5	G50 K54 Y56	G50-D52 PolarHBondContact O-N 3.48Å; G50-D52 VanDerWaalsContact O-N 3.1Å; D52-K54 PolarHBondContact O-N 3.34Å; D52-K54 WeakPolarHBondContact OD2-CD 3.44Å; D52-K54 WeakPolarHBondContact OD2-CE 3.3Å; D52-K54 WeakPolarHBondContact OD2-CG 3.2Å; D52-K54 IonicContact OD2-NZ 2.79Å; D52-K54 PolarHBondContact OD2-NZ 2.95Å; D52-Y56 VanDerWaalsContact CG-OH 3.24Å; D52-Y56 VanDerWaalsContact OD1-CE2 3.22Å; D52-Y56 WeakPolarHBondContact OD1-CE2 3.44Å; D52-Y56 PolarHBondContact OD1-OH 3.03Å; D52-Y56 PolarHBondContact OD2-OH 2.9Å
53	K	84.7	Confident	86.5	Confident	114 Å²	114	69.7 Å²	69.7	50%	0.496	38%	0.381	S	S	.	.	S	Bend	trans	59.6	27.5	179.4	-57.2	-173.7	-179.3	-166.8	0	114.1	F24 G50 Y51	F24-K53 HydrophobicContact CB-CB 3.84Å; F24-K53 HydrophobicContact CB-CG 4.33Å; F24-K53 WeakPolarHBondContact CD2-O 3.33Å; F24-K53 HydrophobicContact CG-CB 4.29Å; G50-K53 PolarHBondContact O-N 3.36Å; Y51-K53 PolarHBondContact O-N 2.87Å
54	K	87.2	Confident	85.7	Confident	78 Å²	78	71.5 Å²	71.5	34%	0.339	39%	0.391	S	S	.	.			trans	-110.8	150.3	176.3	-62.2	-175.4	-156.3	135.5	0	111.2	Q36 G50 D52 Y56	Q36-K54 HydrophobicContact CG-CD 4.35Å; G50-K54 PolarHBondContact N-O 3.47Å; D52-K54 PolarHBondContact O-N 3.34Å; D52-K54 WeakPolarHBondContact OD2-CD 3.44Å; D52-K54 WeakPolarHBondContact OD2-CE 3.3Å; D52-K54 WeakPolarHBondContact OD2-CG 3.2Å; D52-K54 IonicContact OD2-NZ 2.79Å; D52-K54 PolarHBondContact OD2-NZ 2.95Å; K54-Y56 HydrophobicContact CB-CE2 3.94Å; K54-Y56 WeakPolarHBondContact O-CD2 3.38Å; K54-Y56 VanDerWaalsContact O-CE2 3.28Å; K54-Y56 WeakPolarHBondContact O-CE2 3.25Å
55	P	91.5	Very high	84.5	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.013	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	179.5	33.7	-35.5	0	0	0	111.5	W28 F33 C35 Q36 L42	W28-P55 HydrophobicContact CH2-CG 4.31Å; W28-P55 HydrophobicContact CZ3-CG 4.28Å; F33-P55 HydrophobicContact CD2-CB 3.99Å; F33-P55 HydrophobicContact CD2-CG 3.86Å; F33-P55 HydrophobicContact CE2-CB 3.45Å; F33-P55 VanDerWaalsContact CE2-CB 3.45Å; F33-P55 HydrophobicContact CE2-CG 3.79Å; F33-P55 HydrophobicContact CZ-CB 3.78Å; C35-P55 WeakPolarHBondContact CA-O 3.47Å; Q36-P55 PolarHBondContact N-O 3.15Å; L42-P55 HydrophobicContact CD1-CB 3.75Å
56	Y	92.2	Very high	83.2	Confident	29 Å²	29	72.3 Å²	72.3	11%	0.114	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.3	173.8	-61.8	-93.6	0	0	0	110.6	Q36 L42 H48 D52 K54 H60 P62	Q36-Y56 HydrophobicContact CB-CE1 4.02Å; L42-Y56 VanDerWaalsContact CD1-C 3.5Å; L42-Y56 WeakPolarHBondContact CD1-O 3.25Å; H48-Y56 PolarHBondContact N-O 2.9Å; H48-Y56 PolarHBondContact O-N 3.42Å; D52-Y56 VanDerWaalsContact CG-OH 3.24Å; D52-Y56 VanDerWaalsContact OD1-CE2 3.22Å; D52-Y56 WeakPolarHBondContact OD1-CE2 3.44Å; D52-Y56 PolarHBondContact OD1-OH 3.03Å; D52-Y56 PolarHBondContact OD2-OH 2.9Å; K54-Y56 HydrophobicContact CB-CE2 3.94Å; K54-Y56 WeakPolarHBondContact O-CD2 3.38Å; K54-Y56 VanDerWaalsContact O-CE2 3.28Å; K54-Y56 WeakPolarHBondContact O-CE2 3.25Å; Y56-H60 HydrophobicContact CD1-CB 4.4Å; Y56-H60 WeakPolarHBondContact CD1-O 3.33Å; Y56-P62 HydrophobicContact CE2-CG 4.32Å
57	C	92.7	Very high	81.7	Confident	8 Å²	8	78.6 Å²	78.6	5%	0.054	43%	0.426	C	S	.	.			trans	-79.9	162.2	166.1	69.1	0	0	0	0	110	C35 M40 L42 A59 H60 T61	C35-C57 HydrophobicContact CB-CB 4.18Å; C35-C57 PolarHBondContact SG-N 3.45Å; C35-C57 VanDerWaalsContact SG-N 3.35Å; M40-C57 HydrophobicContact CE-CB 3.46Å; M40-C57 VanDerWaalsContact CE-CB 3.46Å; L42-C57 HydrophobicContact CD2-CB 3.87Å; C57-A59 PolarHBondContact O-N 3.31Å; C57-A59 VanDerWaalsContact O-N 3.08Å; C57-H60 CarbonylContact O-C 3.53Å; C57-H60 PolarHBondContact O-N 2.99Å; C57-H60 PolarHBondContact SG-ND1 3.32Å; C57-T61 PolarHBondContact O-N 2.89Å
58	A	90.1	Very high	80.4	Confident	61 Å²	61	81 Å²	81	50%	0.504	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-47.5	-41.6	178.6	0	0	0	0	0	113.2	T61	A58-T61 PolarHBondContact O-OG1 3.28Å
59	A	90.3	Very high	79.2	Confident	87 Å²	87	85.5 Å²	85.5	72%	0.719	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-70.5	-27.9	-179.1	0	0	0	0	0	114.7	C57	C57-A59 PolarHBondContact O-N 3.31Å; C57-A59 VanDerWaalsContact O-N 3.08Å
60	H	89.7	Confident	78.5	Confident	62 Å²	62	88.6 Å²	88.6	29%	0.287	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-109.5	17.7	-176.5	-61.3	128.5	0	0	0	113.1	H37 C38 Y56 C57 P62	H37-H60 HydrophobicContact CB-CB 3.73Å; H37-H60 AromaticContact CE1-CD2 3.69Å; H37-H60 AromaticContact CE1-NE2 3.65Å; H37-H60 AromaticContact CG-CD2 3.7Å; H37-H60 AromaticContact CG-CG 3.69Å; H37-H60 AromaticContact ND1-CD2 3.13Å; H37-H60 PolarHBondContact ND1-CD2 2.83Å; H37-H60 AromaticContact ND1-CE1 3.45Å; H37-H60 PolarHBondContact ND1-CE1 3.46Å; H37-H60 AromaticContact ND1-CG 3.48Å; H37-H60 AromaticContact ND1-ND1 3.63Å; H37-H60 AromaticContact ND1-NE2 3.1Å; H37-H60 PolarHBondContact ND1-NE2 2.97Å; C38-H60 VanDerWaalsContact CB-CE1 3.41Å; C38-H60 WeakPolarHBondContact CB-CE1 3.26Å; C38-H60 PolarHBondContact SG-ND1 3.26Å; C38-H60 VanDerWaalsContact SG-ND1 3.39Å; Y56-H60 HydrophobicContact CD1-CB 4.4Å; Y56-H60 WeakPolarHBondContact CD1-O 3.33Å; C57-H60 CarbonylContact O-C 3.53Å; C57-H60 PolarHBondContact O-N 2.99Å; C57-H60 PolarHBondContact SG-ND1 3.32Å; H60-P62 WeakPolarHBondContact O-CD 3.19Å
61	T	85.7	Confident	77.7	Confident	35 Å²	35	92.3 Å²	92.3	22%	0.215	50%	0.495	C	S	.	.			trans	-62.4	122.5	173.3	43.9	0	0	0	0	110.3	H48 C57 A58 K63	H48-T61 HydrophobicContact CB-CG2 3.03Å; C57-T61 PolarHBondContact O-N 2.89Å; A58-T61 PolarHBondContact O-OG1 3.28Å; T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 2.87Å
62	P	81.2	Confident	77.3	Confident	55 Å²	55	88.8 Å²	88.8	36%	0.357	49%	0.488	S	S	.	.			trans	-67.9	95.8	172	27.9	-31.8	0	0	0	107.6	Y56 H60	Y56-P62 HydrophobicContact CE2-CG 4.32Å; H60-P62 WeakPolarHBondContact O-CD 3.19Å
63	K	77.7	Confident	77.2	Confident	162 Å²	162	88.9 Å²	88.9	70%	0.704	49%	0.491	S	S	*	.			trans	-63.1	138.7	169.3	-64.6	179.2	-177.2	178	0	107.1	T61 T65	T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 2.87Å; K63-T65 VanDerWaalsContact C-N 3.35Å; K63-T65 PolarHBondContact O-N 3.47Å
64	P	72.2	Confident	77.1	Confident	86 Å²	86	88.9 Å²	88.9	56%	0.558	50%	0.503	S	S	*	.			trans	-58.2	102.3	171.8	23.6	-31.3	0	0	0	108.3	Y51 S66	Y51-P64 HydrophobicContact CE2-CB 4.27Å; Y51-P64 WeakPolarHBondContact OH-CB 3.28Å; Y51-P64 WeakPolarHBondContact OH-CD 3.47Å; Y51-P64 VanDerWaalsContact OH-CG 3.27Å; Y51-P64 WeakPolarHBondContact OH-CG 3.37Å; P64-S66 PolarHBondContact O-N 3.04Å; P64-S66 VanDerWaalsContact O-N 3.09Å
65	T	63.1	Low	76.7	Confident	128 Å²	128	89.7 Å²	89.7	79%	0.785	51%	0.508	S	S	*	.			trans	-73.9	100.8	176.1	53.3	0	0	0	0	106.8	K63	K63-T65 VanDerWaalsContact C-N 3.35Å; K63-T65 PolarHBondContact O-N 3.47Å
66	S	59.2	Low	76.4	Confident	102 Å²	102	93.4 Å²	93.4	71%	0.713	53%	0.527	S	S	*	.	S	Bend	trans	65.1	124.4	-178.2	-172.4	0	0	0	0	113.7	P64 T68	P64-S66 PolarHBondContact O-N 3.04Å; P64-S66 VanDerWaalsContact O-N 3.09Å; S66-T68 PolarHBondContact O-N 3.06Å; S66-T68 VanDerWaalsContact O-N 3.13Å
67	F	58.2	Low	76	Confident	195 Å²	195	96.5 Å²	96.5	86%	0.855	55%	0.545	S	S	*	.			trans	-48.8	126	158.4	-78	-95.7	0	0	0	107.9	F69	F67-F69 PolarHBondContact O-N 3.4Å; F67-F69 VanDerWaalsContact O-N 3.15Å
68	T	61.6	Low	75.7	Confident	121 Å²	121	103.4 Å²	103.4	74%	0.742	57%	0.57	S	S	*	*			trans	-52	121.2	178	45.2	0	0	0	0	109	S66 I70	S66-T68 PolarHBondContact O-N 3.06Å; S66-T68 VanDerWaalsContact O-N 3.13Å; T68-I70 PolarHBondContact O-N 3.45Å
69	F	63.3	Low	75.4	Confident	174 Å²	174	104 Å²	104	76%	0.763	57%	0.567	S	S	*	*			trans	-52.5	103	164.9	-176	-98.2	0	0	0	107	F67 P71	F67-F69 PolarHBondContact O-N 3.4Å; F67-F69 VanDerWaalsContact O-N 3.15Å; F69-P71 HydrophobicContact CD1-CB 4.41Å; F69-P71 HydrophobicContact CE1-CB 4.24Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å
70	I	67.8	Low	75.2	Confident	110 Å²	110	102.7 Å²	102.7	56%	0.564	56%	0.556	S	S	*	*			trans	-71	107.2	166.6	-60.8	173.4	0	0	0	103.1	T68 D72 L76	T68-I70 PolarHBondContact O-N 3.45Å; I70-D72 PolarHBondContact O-N 3.45Å; I70-L76 HydrophobicContact CG2-CD2 4.28Å
71	P	61.8	Low	75	Confident	87 Å²	87	103.9 Å²	103.9	57%	0.565	57%	0.565	S	S	*	*			trans	-56.3	131.2	174.4	24.6	-31.5	0	0	0	107	F69 T73	F69-P71 HydrophobicContact CD1-CB 4.41Å; F69-P71 HydrophobicContact CE1-CB 4.24Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-T73 VanDerWaalsContact C-N 3.35Å; P71-T73 PolarHBondContact O-N 2.86Å
72	D	70.4	Confident	75	Confident	105 Å²	105	106.4 Å²	106.4	56%	0.561	58%	0.577	S	S	*	*			trans	-55.2	100.1	-176.8	-65.2	-47	0	0	0	108.8	I70 L77	I70-D72 PolarHBondContact O-N 3.45Å; D72-L77 HydrophobicContact CB-CD1 3.37Å; D72-L77 HydrophobicContact CB-CG 3.81Å; D72-L77 WeakPolarHBondContact O-CD1 3.27Å
73	T	80.4	Confident	75.2	Confident	66 Å²	66	108 Å²	108	41%	0.405	59%	0.586	S	S	.	*			trans	-65.2	147.4	173.6	63	0	0	0	0	106.9	P71 E75 L76 L77	P71-T73 VanDerWaalsContact C-N 3.35Å; P71-T73 PolarHBondContact O-N 2.86Å; T73-E75 CarbonylContact O-C 3.59Å; T73-E75 PolarHBondContact O-N 2.87Å; T73-L76 WeakPolarHBondContact O-CA 3.28Å; T73-L76 WeakPolarHBondContact O-CB 3.35Å; T73-L76 PolarHBondContact O-N 3.1Å; T73-L76 PolarHBondContact OG1-N 3.05Å; T73-L77 WeakPolarHBondContact O-CD1 3.42Å; T73-L77 PolarHBondContact O-N 3.48Å
74	P	83.4	Confident	75.5	Confident	114 Å²	114	107.4 Å²	107.4	74%	0.74	58%	0.579	S	S	*	*	H	α-helix	trans	-53.2	-27.5	179.3	20.8	-33.3	0	0	0	112.1	R78	P74-R78 WeakPolarHBondContact O-CB 3.32Å; P74-R78 PolarHBondContact O-N 2.78Å
75	E	79.5	Confident	75.7	Confident	94 Å²	94	107.5 Å²	107.5	44%	0.439	57%	0.573	S	S	.	*	H	α-helix	trans	-72.2	-42.8	173.3	-171.9	58.9	-169.2	0	0	113.3	T73 L77 R78 V79	T73-E75 CarbonylContact O-C 3.59Å; T73-E75 PolarHBondContact O-N 2.87Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.47Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.5Å; E75-R78 IonicContact OE1-NE 2.85Å; E75-R78 IonicContact OE1-NH2 3.32Å; E75-R78 PolarHBondContact OE1-NH2 3.21Å; E75-R78 IonicContact OE2-CZ 3.56Å; E75-R78 IonicContact OE2-NE 3.61Å; E75-R78 PolarHBondContact OE2-NE 2.88Å; E75-R78 IonicContact OE2-NH2 2.68Å; E75-R78 PolarHBondContact OE2-NH2 2.86Å; E75-V79 WeakPolarHBondContact O-CG2 3.41Å; E75-V79 PolarHBondContact O-N 3.1Å
76	L	83.9	Confident	76.2	Confident	81 Å²	81	107.8 Å²	107.8	42%	0.424	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-40.7	174.7	-139.4	76.3	0	0	0	111.4	I70 T73 V79 A80	I70-L76 HydrophobicContact CG2-CD2 4.28Å; T73-L76 WeakPolarHBondContact O-CA 3.28Å; T73-L76 WeakPolarHBondContact O-CB 3.35Å; T73-L76 PolarHBondContact O-N 3.1Å; T73-L76 PolarHBondContact OG1-N 3.05Å; L76-V79 PolarHBondContact O-N 3.25Å; L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 2.79Å
77	L	83.7	Confident	77	Confident	93 Å²	93	104.8 Å²	104.8	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-61.3	-44	173.1	-84.2	125.6	0	0	0	112	D72 T73 E75 A80 N81	D72-L77 HydrophobicContact CB-CD1 3.37Å; D72-L77 HydrophobicContact CB-CG 3.81Å; D72-L77 WeakPolarHBondContact O-CD1 3.27Å; T73-L77 WeakPolarHBondContact O-CD1 3.42Å; T73-L77 PolarHBondContact O-N 3.48Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 3.17Å; L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 3.13Å
78	R	86.1	Confident	77.7	Confident	154 Å²	154	99.9 Å²	99.9	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-63.5	-44.4	178.9	-167.8	-179	72.7	94.9	3.1	111.2	P74 E75 N81 N82	P74-R78 WeakPolarHBondContact O-CB 3.32Å; P74-R78 PolarHBondContact O-N 2.78Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.5Å; E75-R78 IonicContact OE1-NE 2.85Å; E75-R78 IonicContact OE1-NH2 3.32Å; E75-R78 PolarHBondContact OE1-NH2 3.21Å; E75-R78 IonicContact OE2-CZ 3.56Å; E75-R78 IonicContact OE2-NE 3.61Å; E75-R78 PolarHBondContact OE2-NE 2.88Å; E75-R78 IonicContact OE2-NH2 2.68Å; E75-R78 PolarHBondContact OE2-NH2 2.86Å; R78-N81 PolarHBondContact O-N 3.25Å; R78-N82 WeakPolarHBondContact O-CB 3.42Å; R78-N82 PolarHBondContact O-N 3.26Å
79	V	85.4	Confident	78.4	Confident	72 Å²	72	100 Å²	100	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-46.4	175.4	173.9	0	0	0	0	110.7	E75 L76 N81 N82 T83	E75-V79 WeakPolarHBondContact O-CG2 3.41Å; E75-V79 PolarHBondContact O-N 3.1Å; L76-V79 PolarHBondContact O-N 3.25Å; V79-N81 PolarHBondContact O-N 3.03Å; V79-N82 WeakPolarHBondContact O-CB 3.35Å; V79-N82 PolarHBondContact O-N 2.82Å; V79-T83 PolarHBondContact O-N 2.78Å; V79-T83 PolarHBondContact O-OG1 2.72Å; V79-T83 VanDerWaalsContact O-OG1 3.09Å
80	A	85.1	Confident	79	Confident	60 Å²	60	94.7 Å²	94.7	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-42.4	177.8	0	0	0	0	0	112.3	L76 L77 R84	L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 2.79Å; L77-A80 PolarHBondContact O-N 3.17Å; A80-R84 VanDerWaalsContact O-CB 3.27Å; A80-R84 WeakPolarHBondContact O-CB 3.27Å; A80-R84 PolarHBondContact O-N 2.83Å
81	N	86	Confident	79.5	Confident	88 Å²	88	96.1 Å²	96.1	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-41.4	175.5	-171.6	36.7	0	0	0	111.4	L77 R78 V79 R84 M85	L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 3.13Å; R78-N81 PolarHBondContact O-N 3.25Å; V79-N81 PolarHBondContact O-N 3.03Å; N81-R84 PolarHBondContact O-N 2.79Å; N81-M85 VanDerWaalsContact O-CG 3.27Å; N81-M85 WeakPolarHBondContact O-CG 3.42Å; N81-M85 PolarHBondContact O-N 3.29Å; N81-M85 WeakPolarHBondContact OD1-CE 3.37Å
82	N	85.5	Confident	80.4	Confident	88 Å²	88	94.8 Å²	94.8	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-59.5	-52.8	175.6	-171.9	-82.5	0	0	0	111.3	R78 V79 R84 M85 F86	R78-N82 WeakPolarHBondContact O-CB 3.42Å; R78-N82 PolarHBondContact O-N 3.26Å; V79-N82 WeakPolarHBondContact O-CB 3.35Å; V79-N82 PolarHBondContact O-N 2.82Å; N82-R84 VanDerWaalsContact C-N 3.3Å; N82-R84 PolarHBondContact O-N 3.35Å; N82-M85 PolarHBondContact O-N 2.84Å; N82-M85 VanDerWaalsContact O-N 3.1Å; N82-F86 WeakPolarHBondContact O-CD2 3.41Å; N82-F86 PolarHBondContact O-N 2.91Å; N82-F86 VanDerWaalsContact OD1-CD2 3.25Å; N82-F86 WeakPolarHBondContact OD1-CD2 3.27Å; N82-F86 VanDerWaalsContact OD1-CE2 3.31Å; N82-F86 WeakPolarHBondContact OD1-CE2 3.27Å
83	T	85.7	Confident	81	Confident	87 Å²	87	92.1 Å²	92.1	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-41.1	176.4	-52.9	0	0	0	0	112	V79 M85 F86 S87	V79-T83 PolarHBondContact O-N 2.78Å; V79-T83 PolarHBondContact O-OG1 2.72Å; V79-T83 VanDerWaalsContact O-OG1 3.09Å; T83-M85 VanDerWaalsContact C-N 3.32Å; T83-M85 PolarHBondContact O-N 2.78Å; T83-F86 PolarHBondContact O-N 2.94Å; T83-S87 PolarHBondContact O-N 3.1Å
84	R	83.6	Confident	81.2	Confident	150 Å²	150	92.1 Å²	92.1	57%	0.566	48%	0.484	S	S	*	.	H	α-helix	trans	-61.1	-41.9	176.7	-165.9	-176.8	-179.4	-169.5	-6.6	111.3	A80 N81 N82 S87 R90	A80-R84 VanDerWaalsContact O-CB 3.27Å; A80-R84 WeakPolarHBondContact O-CB 3.27Å; A80-R84 PolarHBondContact O-N 2.83Å; N81-R84 PolarHBondContact O-N 2.79Å; N82-R84 VanDerWaalsContact C-N 3.3Å; N82-R84 PolarHBondContact O-N 3.35Å; R84-S87 PolarHBondContact O-OG 2.84Å; R84-R90 VanDerWaalsContact NE-CZ 3.28Å; R84-R90 WeakPolarHBondContact O-CG 3.31Å
85	M	76.1	Confident	81.1	Confident	89 Å²	89	88.5 Å²	88.5	44%	0.438	46%	0.464	S	S	.	.	H	α-helix	trans	-67.9	-34.7	177.2	-68.3	-58.3	159.4	0	0	113	N81 N82 T83 R90 Y91	N81-M85 VanDerWaalsContact O-CG 3.27Å; N81-M85 WeakPolarHBondContact O-CG 3.42Å; N81-M85 PolarHBondContact O-N 3.29Å; N81-M85 WeakPolarHBondContact OD1-CE 3.37Å; N82-M85 PolarHBondContact O-N 2.84Å; N82-M85 VanDerWaalsContact O-N 3.1Å; T83-M85 VanDerWaalsContact C-N 3.32Å; T83-M85 PolarHBondContact O-N 2.78Å; M85-R90 PolarHBondContact SD-NH1 3.18Å; M85-Y91 WeakPolarHBondContact O-CE2 3.36Å
86	F	72.7	Confident	81.2	Confident	133 Å²	133	90.2 Å²	90.2	58%	0.583	47%	0.472	S	S	*	.	H	α-helix	trans	-82.4	-17.2	178.6	-74.6	-69.9	0	0	0	114.6	N82 T83 S88	N82-F86 WeakPolarHBondContact O-CD2 3.41Å; N82-F86 PolarHBondContact O-N 2.91Å; N82-F86 VanDerWaalsContact OD1-CD2 3.25Å; N82-F86 WeakPolarHBondContact OD1-CD2 3.27Å; N82-F86 VanDerWaalsContact OD1-CE2 3.31Å; N82-F86 WeakPolarHBondContact OD1-CE2 3.27Å; T83-F86 PolarHBondContact O-N 2.94Å; F86-S88 PolarHBondContact O-N 3.43Å
87	S	77.3	Confident	81.1	Confident	39 Å²	39	94.2 Å²	94.2	27%	0.273	48%	0.482	S	S	.	.	S	Bend	trans	-60.1	133.8	-179	69.7	0	0	0	0	112.3	T83 R84 I89 R90 Y91	T83-S87 PolarHBondContact O-N 3.1Å; R84-S87 PolarHBondContact O-OG 2.84Å; S87-I89 PolarHBondContact O-N 3.34Å; S87-R90 PolarHBondContact O-N 3.25Å; S87-R90 VanDerWaalsContact O-N 3.1Å; S87-Y91 WeakPolarHBondContact O-CD2 3.25Å; S87-Y91 PolarHBondContact O-N 2.96Å
88	S	73.3	Confident	80.9	Confident	92 Å²	92	94.7 Å²	94.7	64%	0.643	48%	0.484	S	S	*	.	H	α-helix	trans	-56.8	-23.1	178.3	57.1	0	0	0	0	113.4	F86 Y91 S92	F86-S88 PolarHBondContact O-N 3.43Å; S88-Y91 PolarHBondContact O-N 3.42Å; S88-S92 WeakPolarHBondContact O-CB 3.41Å; S88-S92 PolarHBondContact O-N 3.4Å; S88-S92 PolarHBondContact O-OG 2.85Å
89	I	76.3	Confident	80.4	Confident	125 Å²	125	95.7 Å²	95.7	64%	0.641	49%	0.487	S	S	*	.	H	α-helix	trans	-65.8	-43	177.8	-60.2	170.8	0	0	0	111.4	S87 S92 A93	S87-I89 PolarHBondContact O-N 3.34Å; I89-S92 PolarHBondContact O-OG 3.33Å; I89-S92 VanDerWaalsContact O-OG 3.04Å; I89-A93 WeakPolarHBondContact O-CB 3.3Å; I89-A93 PolarHBondContact O-N 3.01Å
90	R	75.3	Confident	79.7	Confident	62 Å²	62	95.5 Å²	95.5	23%	0.234	49%	0.49	C	S	.	.	H	α-helix	trans	-68.5	-43.7	176.3	-84.6	-88.8	-164.7	84.2	-20.8	110.6	R84 M85 S87 S92 A93 D94	R84-R90 VanDerWaalsContact NE-CZ 3.28Å; R84-R90 WeakPolarHBondContact O-CG 3.31Å; M85-R90 PolarHBondContact SD-NH1 3.18Å; S87-R90 PolarHBondContact O-N 3.25Å; S87-R90 VanDerWaalsContact O-N 3.1Å; R90-S92 PolarHBondContact O-N 3.23Å; R90-A93 PolarHBondContact O-N 2.91Å; R90-D94 WeakPolarHBondContact O-CB 3.3Å; R90-D94 PolarHBondContact O-N 3.42Å
91	Y	77	Confident	79	Confident	140 Å²	140	100.2 Å²	100.2	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-60.9	-41.6	175.7	-76.1	-71.6	0	0	0	113	M85 S87 S88 A95	M85-Y91 WeakPolarHBondContact O-CE2 3.36Å; S87-Y91 WeakPolarHBondContact O-CD2 3.25Å; S87-Y91 PolarHBondContact O-N 2.96Å; S88-Y91 PolarHBondContact O-N 3.42Å; Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 2.96Å
92	S	81.7	Confident	77.9	Confident	59 Å²	59	100.7 Å²	100.7	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-70.4	-40.4	179.1	65.9	0	0	0	0	112.1	S88 I89 R90 A95 Q96	S88-S92 WeakPolarHBondContact O-CB 3.41Å; S88-S92 PolarHBondContact O-N 3.4Å; S88-S92 PolarHBondContact O-OG 2.85Å; I89-S92 PolarHBondContact O-OG 3.33Å; I89-S92 VanDerWaalsContact O-OG 3.04Å; R90-S92 PolarHBondContact O-N 3.23Å; S92-A95 PolarHBondContact O-N 2.93Å; S92-Q96 VanDerWaalsContact O-CG 3.3Å; S92-Q96 WeakPolarHBondContact O-CG 3.46Å; S92-Q96 PolarHBondContact O-N 2.82Å
93	A	83.7	Confident	76.6	Confident	49 Å²	49	102.1 Å²	102.1	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-44	174.5	0	0	0	0	0	112.1	I89 R90 Q96 R97	I89-A93 WeakPolarHBondContact O-CB 3.3Å; I89-A93 PolarHBondContact O-N 3.01Å; R90-A93 PolarHBondContact O-N 2.91Å; A93-Q96 PolarHBondContact O-N 2.92Å; A93-R97 WeakPolarHBondContact O-CB 3.35Å; A93-R97 PolarHBondContact O-N 2.94Å
94	D	83.6	Confident	75.3	Confident	65 Å²	65	101.8 Å²	101.8	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-36.8	176.8	-78	-21.6	0	0	0	111.7	R90 Q96 R97 I98	R90-D94 WeakPolarHBondContact O-CB 3.3Å; R90-D94 PolarHBondContact O-N 3.42Å; D94-Q96 VanDerWaalsContact C-N 3.34Å; D94-Q96 PolarHBondContact O-N 2.82Å; D94-R97 PolarHBondContact O-N 2.98Å; D94-R97 IonicContact OD1-CZ 3.91Å; D94-R97 IonicContact OD1-NH1 2.89Å; D94-R97 PolarHBondContact OD1-NH1 2.98Å; D94-I98 WeakPolarHBondContact O-CB 3.41Å; D94-I98 VanDerWaalsContact O-CG1 3.25Å; D94-I98 WeakPolarHBondContact O-CG1 3.43Å; D94-I98 PolarHBondContact O-N 3.33Å
95	A	81.3	Confident	73.8	Confident	39 Å²	39	101.2 Å²	101.2	32%	0.322	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-40.7	172.4	0	0	0	0	0	112.1	Y91 S92 R99	Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 2.96Å; S92-A95 PolarHBondContact O-N 2.93Å; A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 WeakPolarHBondContact O-CG 3.5Å; A95-R99 PolarHBondContact O-N 3.44Å
96	Q	81	Confident	73	Confident	129 Å²	129	101.5 Å²	101.5	60%	0.603	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-41.5	174.5	-72.9	174.9	13.9	0	0	111.9	S92 A93 D94 R99 S100	S92-Q96 VanDerWaalsContact O-CG 3.3Å; S92-Q96 WeakPolarHBondContact O-CG 3.46Å; S92-Q96 PolarHBondContact O-N 2.82Å; A93-Q96 PolarHBondContact O-N 2.92Å; D94-Q96 VanDerWaalsContact C-N 3.34Å; D94-Q96 PolarHBondContact O-N 2.82Å; Q96-R99 PolarHBondContact O-N 2.78Å; Q96-S100 PolarHBondContact O-N 2.89Å; Q96-S100 PolarHBondContact O-OG 3.19Å
97	R	82.8	Confident	72.3	Confident	165 Å²	165	101.3 Å²	101.3	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-41.3	176.2	-177.3	-172.5	-77.2	152.6	-14.1	112.3	A93 D94 S100 K101	A93-R97 WeakPolarHBondContact O-CB 3.35Å; A93-R97 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact O-N 2.98Å; D94-R97 IonicContact OD1-CZ 3.91Å; D94-R97 IonicContact OD1-NH1 2.89Å; D94-R97 PolarHBondContact OD1-NH1 2.98Å; R97-S100 PolarHBondContact O-N 3.21Å; R97-S100 PolarHBondContact O-OG 3.04Å; R97-K101 WeakPolarHBondContact O-CB 3.33Å; R97-K101 PolarHBondContact O-N 2.87Å
98	I	79.3	Confident	72.1	Confident	103 Å²	103	104.2 Å²	104.2	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-43.1	175.8	-69.5	165.5	0	0	0	109.6	D94 S100 K101 I102	D94-I98 WeakPolarHBondContact O-CB 3.41Å; D94-I98 VanDerWaalsContact O-CG1 3.25Å; D94-I98 WeakPolarHBondContact O-CG1 3.43Å; D94-I98 PolarHBondContact O-N 3.33Å; I98-S100 PolarHBondContact O-N 3Å; I98-K101 PolarHBondContact O-N 3.4Å; I98-I102 HydrophobicContact CG2-CD1 3.51Å; I98-I102 HydrophobicContact CG2-CG1 4.2Å; I98-I102 WeakPolarHBondContact O-CB 3.37Å; I98-I102 WeakPolarHBondContact O-CG1 3.2Å; I98-I102 PolarHBondContact O-N 3.42Å
99	R	75.1	Confident	72.1	Confident	175 Å²	175	106.9 Å²	106.9	66%	0.66	55%	0.548	S	S	*	.	H	α-helix	trans	-58.5	-46.6	174	-77.5	177.3	-173.8	150.7	2.3	112	A95 Q96 K101 I102 T103	A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 WeakPolarHBondContact O-CG 3.5Å; A95-R99 PolarHBondContact O-N 3.44Å; Q96-R99 PolarHBondContact O-N 2.78Å; R99-K101 PolarHBondContact O-N 2.97Å; R99-I102 PolarHBondContact O-N 2.84Å; R99-T103 WeakPolarHBondContact O-CG2 3.35Å; R99-T103 PolarHBondContact O-N 3.34Å; R99-T103 PolarHBondContact O-OG1 3.09Å
100	S	71.4	Confident	72	Confident	69 Å²	69	110.1 Å²	110.1	48%	0.483	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-34.1	180	65.6	0	0	0	0	113	Q96 R97 I98 T103 S104	Q96-S100 PolarHBondContact O-N 2.89Å; Q96-S100 PolarHBondContact O-OG 3.19Å; R97-S100 PolarHBondContact O-N 3.21Å; R97-S100 PolarHBondContact O-OG 3.04Å; I98-S100 PolarHBondContact O-N 3Å; S100-T103 WeakPolarHBondContact CA-OG1 3.25Å; S100-T103 PolarHBondContact O-N 3.44Å; S100-T103 PolarHBondContact O-OG1 2.9Å; S100-S104 PolarHBondContact O-N 3.18Å
101	K	71.1	Confident	71.9	Confident	158 Å²	158	109.7 Å²	109.7	69%	0.687	56%	0.557	S	S	*	*	H	α-helix	trans	-71.3	-39.1	175.2	-164.5	170.8	-175.8	179.4	0	112.2	R97 I98 R99 T103 S104	R97-K101 WeakPolarHBondContact O-CB 3.33Å; R97-K101 PolarHBondContact O-N 2.87Å; I98-K101 PolarHBondContact O-N 3.4Å; R99-K101 PolarHBondContact O-N 2.97Å; K101-T103 PolarHBondContact O-N 3.47Å; K101-S104 PolarHBondContact O-N 3.35Å; K101-S104 VanDerWaalsContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.15Å
102	I	62.9	Low	71.8	Confident	99 Å²	99	106.7 Å²	106.7	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-29.3	173.1	-69.9	171.2	0	0	0	110.9	I98 R99 S104 F105	I98-I102 HydrophobicContact CG2-CD1 3.51Å; I98-I102 HydrophobicContact CG2-CG1 4.2Å; I98-I102 WeakPolarHBondContact O-CB 3.37Å; I98-I102 WeakPolarHBondContact O-CG1 3.2Å; I98-I102 PolarHBondContact O-N 3.42Å; R99-I102 PolarHBondContact O-N 2.84Å; I102-S104 PolarHBondContact O-N 3.44Å; I102-F105 HydrophobicContact CB-CE2 4.48Å; I102-F105 HydrophobicContact CG2-CE2 4.04Å; I102-F105 WeakPolarHBondContact O-CD2 3.41Å; I102-F105 VanDerWaalsContact O-CE2 3.25Å; I102-F105 WeakPolarHBondContact O-CE2 3.31Å
103	T	57.2	Low	71.7	Confident	117 Å²	117	108.1 Å²	108.1	72%	0.718	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.6	174.2	55.7	0	0	0	0	114.3	R99 S100 K101	R99-T103 WeakPolarHBondContact O-CG2 3.35Å; R99-T103 PolarHBondContact O-N 3.34Å; R99-T103 PolarHBondContact O-OG1 3.09Å; S100-T103 WeakPolarHBondContact CA-OG1 3.25Å; S100-T103 PolarHBondContact O-N 3.44Å; S100-T103 PolarHBondContact O-OG1 2.9Å; K101-T103 PolarHBondContact O-N 3.47Å
104	S	57.6	Low	71.6	Confident	81 Å²	81	109 Å²	109	57%	0.566	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	24.2	-178.8	66.9	0	0	0	0	114.3	S100 K101 I102	S100-S104 PolarHBondContact O-N 3.18Å; K101-S104 PolarHBondContact O-N 3.35Å; K101-S104 VanDerWaalsContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.15Å; I102-S104 PolarHBondContact O-N 3.44Å
105	F	53.9	Low	71.6	Confident	137 Å²	137	111.2 Å²	111.2	60%	0.601	56%	0.559	S	S	*	*			trans	-59.9	134.6	169.7	-75.4	-72	0	0	0	109.7	I102	I102-F105 HydrophobicContact CB-CE2 4.48Å; I102-F105 HydrophobicContact CG2-CE2 4.04Å; I102-F105 WeakPolarHBondContact O-CD2 3.41Å; I102-F105 VanDerWaalsContact O-CE2 3.25Å; I102-F105 WeakPolarHBondContact O-CE2 3.31Å
106	P	58.2	Low	71.7	Confident	95 Å²	95	116.7 Å²	116.7	62%	0.617	57%	0.572	S	S	*	*			trans	-51.2	147.7	169.9	-19.7	30.4	0	0	0	109.7	D108	P106-D108 PolarHBondContact O-N 3.09Å
107	D	58	Low	71.9	Confident	129 Å²	129	113.6 Å²	113.6	69%	0.69	56%	0.559	S	S	*	*			trans	-60.1	63.4	177.6	-78.3	-58.7	0	0	0	113.1	L109 Q112	D107-L109 PolarHBondContact O-N 2.99Å; D107-Q112 PolarHBondContact OD1-NE2 3.11Å
108	D	73.6	Confident	72	Confident	101 Å²	101	108.8 Å²	108.8	54%	0.54	55%	0.55	S	S	.	*			trans	-65.3	128.2	168.3	-76.8	-16	0	0	0	107.5	P106 W110 T111 Q112	P106-D108 PolarHBondContact O-N 3.09Å; D108-W110 PolarHBondContact O-N 3.26Å; D108-T111 WeakPolarHBondContact O-CA 3.25Å; D108-T111 WeakPolarHBondContact O-CB 3.15Å; D108-T111 PolarHBondContact O-N 3.01Å; D108-Q112 PolarHBondContact O-N 3.45Å; D108-Q112 VanDerWaalsContact O-N 3.1Å
109	L	72.7	Confident	72.3	Confident	148 Å²	148	109.8 Å²	109.8	78%	0.775	55%	0.551	S	S	*	*	H	α-helix	trans	-50.2	-32.6	-179.1	-70.7	168.3	0	0	0	112.3	D107 H113	D107-L109 PolarHBondContact O-N 2.99Å; L109-H113 WeakPolarHBondContact O-CB 3.16Å; L109-H113 PolarHBondContact O-N 3.18Å
110	W	74.4	Confident	72.6	Confident	193 Å²	193	106.7 Å²	106.7	73%	0.731	54%	0.544	S	S	*	.	H	α-helix	trans	-67	-41.8	175.7	-175	-101.4	0	0	0	113.3	D108 H113 T114	D108-W110 PolarHBondContact O-N 3.26Å; W110-H113 PolarHBondContact O-N 2.95Å; W110-T114 WeakPolarHBondContact O-CB 3.43Å; W110-T114 PolarHBondContact O-N 2.82Å; W110-T114 PolarHBondContact O-OG1 2.76Å
111	T	74.2	Confident	73	Confident	53 Å²	53	111.7 Å²	111.7	33%	0.325	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-42.6	177.2	-46.8	0	0	0	0	110.2	D108 T114 L115	D108-T111 WeakPolarHBondContact O-CA 3.25Å; D108-T111 WeakPolarHBondContact O-CB 3.15Å; D108-T111 PolarHBondContact O-N 3.01Å; T111-T114 PolarHBondContact O-N 3.06Å; T111-L115 HydrophobicContact CG2-CD1 4.35Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 3.02Å
112	Q	73.3	Confident	73.2	Confident	76 Å²	76	107.6 Å²	107.6	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-42.1	173.7	-71.4	-163.4	0.5	0	0	112.6	D107 D108 T114 L115 R116	D107-Q112 PolarHBondContact OD1-NE2 3.11Å; D108-Q112 PolarHBondContact O-N 3.45Å; D108-Q112 VanDerWaalsContact O-N 3.1Å; Q112-T114 VanDerWaalsContact C-N 3.35Å; Q112-L115 PolarHBondContact O-N 3.24Å; Q112-R116 WeakPolarHBondContact O-CB 3.46Å; Q112-R116 PolarHBondContact O-N 3.19Å
113	H	81.4	Confident	73.8	Confident	89 Å²	89	107.4 Å²	107.4	41%	0.412	54%	0.542	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.4	-179.3	-107	0	0	0	111.4	L109 W110 R116 L117	L109-H113 WeakPolarHBondContact O-CB 3.16Å; L109-H113 PolarHBondContact O-N 3.18Å; W110-H113 PolarHBondContact O-N 2.95Å; H113-R116 PolarHBondContact O-N 2.92Å; H113-L117 WeakPolarHBondContact CE1-CD1 3.38Å; H113-L117 WeakPolarHBondContact O-CG 3.27Å; H113-L117 PolarHBondContact O-N 3.3Å
114	T	81.5	Confident	74.3	Confident	68 Å²	68	104.8 Å²	104.8	42%	0.417	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-42.7	178.4	-54.7	0	0	0	0	111.9	W110 T111 Q112 L117 S118	W110-T114 WeakPolarHBondContact O-CB 3.43Å; W110-T114 PolarHBondContact O-N 2.82Å; W110-T114 PolarHBondContact O-OG1 2.76Å; T111-T114 PolarHBondContact O-N 3.06Å; Q112-T114 VanDerWaalsContact C-N 3.35Å; T114-L117 PolarHBondContact O-N 3.35Å; T114-S118 WeakPolarHBondContact O-CB 2.93Å; T114-S118 PolarHBondContact O-N 3.06Å; T114-S118 PolarHBondContact O-OG 2.75Å
115	L	81.9	Confident	74.6	Confident	111 Å²	111	106.4 Å²	106.4	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-38.5	174.8	-73	167.8	0	0	0	112.4	T111 Q112 S118 K119	T111-L115 HydrophobicContact CG2-CD1 4.35Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 3.02Å; Q112-L115 PolarHBondContact O-N 3.24Å; L115-S118 PolarHBondContact O-N 3.14Å; L115-S118 PolarHBondContact O-OG 2.73Å; L115-K119 WeakPolarHBondContact O-CB 3.38Å; L115-K119 PolarHBondContact O-N 3.48Å
116	R	83.7	Confident	74.9	Confident	155 Å²	155	103.4 Å²	103.4	59%	0.585	53%	0.531	S	S	*	.	H	α-helix	trans	-65.4	-44	176.4	-173.7	179.3	-68.7	151.1	1.1	111.3	Q112 H113 K119 Q120	Q112-R116 WeakPolarHBondContact O-CB 3.46Å; Q112-R116 PolarHBondContact O-N 3.19Å; H113-R116 PolarHBondContact O-N 2.92Å; R116-K119 PolarHBondContact O-N 2.99Å; R116-Q120 WeakPolarHBondContact O-CG 3.49Å; R116-Q120 PolarHBondContact O-N 3.38Å
117	L	85.9	Confident	74.9	Confident	63 Å²	63	103 Å²	103	33%	0.33	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-47.8	175.1	-74.2	174.1	0	0	0	111.3	H113 T114 K119 Q120 Y121	H113-L117 WeakPolarHBondContact CE1-CD1 3.38Å; H113-L117 WeakPolarHBondContact O-CG 3.27Å; H113-L117 PolarHBondContact O-N 3.3Å; T114-L117 PolarHBondContact O-N 3.35Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.22Å; L117-Q120 PolarHBondContact O-N 2.85Å; L117-Q120 VanDerWaalsContact O-N 3.13Å; L117-Y121 HydrophobicContact CB-CE2 4.42Å; L117-Y121 WeakPolarHBondContact O-CD2 3.31Å; L117-Y121 PolarHBondContact O-N 2.91Å
118	S	84.3	Confident	74.8	Confident	64 Å²	64	106.9 Å²	106.9	45%	0.448	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-37.1	-179.4	72.7	0	0	0	0	112.5	T114 L115 Y121 S122	T114-S118 WeakPolarHBondContact O-CB 2.93Å; T114-S118 PolarHBondContact O-N 3.06Å; T114-S118 PolarHBondContact O-OG 2.75Å; L115-S118 PolarHBondContact O-N 3.14Å; L115-S118 PolarHBondContact O-OG 2.73Å; S118-Y121 PolarHBondContact O-N 2.68Å; S118-S122 PolarHBondContact O-N 2.81Å; S118-S122 PolarHBondContact O-OG 3.5Å
119	K	85.1	Confident	74	Confident	124 Å²	124	106.9 Å²	106.9	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-42.1	173.3	-172.9	174.3	173.3	179.8	0	112.5	L115 R116 L117 Y121 S122 E123	L115-K119 WeakPolarHBondContact O-CB 3.38Å; L115-K119 PolarHBondContact O-N 3.48Å; R116-K119 PolarHBondContact O-N 2.99Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.22Å; K119-Y121 VanDerWaalsContact C-N 3.33Å; K119-Y121 PolarHBondContact O-N 2.89Å; K119-S122 WeakPolarHBondContact CA-OG 3.25Å; K119-S122 PolarHBondContact O-N 2.83Å; K119-S122 PolarHBondContact O-OG 2.94Å; K119-E123 WeakPolarHBondContact CE-OE1 3.37Å; K119-E123 HydrophobicContact CG-CG 4.47Å; K119-E123 IonicContact NZ-OE1 3.99Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 VanDerWaalsContact O-CG 3.32Å; K119-E123 WeakPolarHBondContact O-CG 3.46Å; K119-E123 PolarHBondContact O-N 3.32Å
120	Q	83	Confident	73	Confident	111 Å²	111	102.8 Å²	102.8	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-39.2	174.6	-76	-178.7	-23.9	0	0	112.2	R116 L117 A124	R116-Q120 WeakPolarHBondContact O-CG 3.49Å; R116-Q120 PolarHBondContact O-N 3.38Å; L117-Q120 PolarHBondContact O-N 2.85Å; L117-Q120 VanDerWaalsContact O-N 3.13Å; Q120-A124 VanDerWaalsContact O-CB 3.26Å; Q120-A124 WeakPolarHBondContact O-CB 3.11Å; Q120-A124 PolarHBondContact O-N 3.28Å
121	Y	79.3	Confident	71.8	Confident	174 Å²	174	103.9 Å²	103.9	68%	0.682	54%	0.537	S	S	*	.	H	α-helix	trans	-66.3	-42.1	175.2	-77.4	-68.8	0	0	0	112.6	L117 S118 K119 A124 N125	L117-Y121 HydrophobicContact CB-CE2 4.42Å; L117-Y121 WeakPolarHBondContact O-CD2 3.31Å; L117-Y121 PolarHBondContact O-N 2.91Å; S118-Y121 PolarHBondContact O-N 2.68Å; K119-Y121 VanDerWaalsContact C-N 3.33Å; K119-Y121 PolarHBondContact O-N 2.89Å; Y121-A124 PolarHBondContact O-N 3.33Å; Y121-N125 WeakPolarHBondContact O-CB 3.35Å; Y121-N125 PolarHBondContact O-N 2.81Å
122	S	74.8	Confident	70.5	Confident	72 Å²	72	106.3 Å²	106.3	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-69	-37.3	178.9	64.1	0	0	0	0	112.4	S118 K119 N125 S126	S118-S122 PolarHBondContact O-N 2.81Å; S118-S122 PolarHBondContact O-OG 3.5Å; K119-S122 WeakPolarHBondContact CA-OG 3.25Å; K119-S122 PolarHBondContact O-N 2.83Å; K119-S122 PolarHBondContact O-OG 2.94Å; S122-N125 PolarHBondContact O-N 3.13Å; S122-S126 PolarHBondContact O-N 2.79Å; S122-S126 PolarHBondContact O-OG 3.1Å
123	E	76.2	Confident	69	Low	94 Å²	94	108.3 Å²	108.3	44%	0.439	58%	0.578	S	S	.	*	H	α-helix	trans	-67.2	-41.8	172.5	-72.6	173.6	-179.7	0	0	112.1	K119 N125 S126 V127	K119-E123 WeakPolarHBondContact CE-OE1 3.37Å; K119-E123 HydrophobicContact CG-CG 4.47Å; K119-E123 IonicContact NZ-OE1 3.99Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 VanDerWaalsContact O-CG 3.32Å; K119-E123 WeakPolarHBondContact O-CG 3.46Å; K119-E123 PolarHBondContact O-N 3.32Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 3.13Å; E123-S126 PolarHBondContact O-N 2.82Å; E123-S126 PolarHBondContact O-OG 3.08Å; E123-V127 VanDerWaalsContact O-CG2 3.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.33Å; E123-V127 PolarHBondContact O-N 2.93Å
124	A	67.9	Low	67	Low	62 Å²	62	107.8 Å²	107.8	51%	0.512	60%	0.596	S	S	.	*	H	α-helix	trans	-63.7	-36	176	0	0	0	0	0	112.1	Q120 Y121 R128	Q120-A124 VanDerWaalsContact O-CB 3.26Å; Q120-A124 WeakPolarHBondContact O-CB 3.11Å; Q120-A124 PolarHBondContact O-N 3.28Å; Y121-A124 PolarHBondContact O-N 3.33Å; A124-R128 WeakPolarHBondContact O-CB 3.27Å; A124-R128 PolarHBondContact O-N 3.39Å; A124-R128 VanDerWaalsContact O-N 3.13Å
125	N	63.6	Low	65.1	Low	115 Å²	115	113.3 Å²	113.3	62%	0.615	62%	0.615	S	S	*	*	H	α-helix	trans	-75.9	-33.7	179	-153.7	44.6	0	0	0	112.5	Y121 S122 E123 R128 S129	Y121-N125 WeakPolarHBondContact O-CB 3.35Å; Y121-N125 PolarHBondContact O-N 2.81Å; S122-N125 PolarHBondContact O-N 3.13Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 3.13Å; N125-R128 PolarHBondContact O-N 3.38Å; N125-S129 WeakPolarHBondContact O-CB 3.4Å; N125-S129 PolarHBondContact O-N 2.96Å
126	S	59.4	Low	63.3	Low	75 Å²	75	112.9 Å²	112.9	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-70.1	-37.5	174.7	70.3	0	0	0	0	112.2	S122 E123 R128 S129 G130	S122-S126 PolarHBondContact O-N 2.79Å; S122-S126 PolarHBondContact O-OG 3.1Å; E123-S126 PolarHBondContact O-N 2.82Å; E123-S126 PolarHBondContact O-OG 3.08Å; S126-R128 VanDerWaalsContact C-N 3.34Å; S126-S129 PolarHBondContact O-N 3.43Å; S126-G130 PolarHBondContact O-N 3.29Å; S126-G130 VanDerWaalsContact O-N 3.15Å
127	V	59.1	Low	61.1	Low	87 Å²	87	112.8 Å²	112.8	53%	0.527	62%	0.619	S	S	.	*	H	α-helix	trans	-69.5	-32.5	175.3	176.7	0	0	0	0	111.7	E123	E123-V127 VanDerWaalsContact O-CG2 3.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.33Å; E123-V127 PolarHBondContact O-N 2.93Å
128	R	55.9	Low	58.9	Low	209 Å²	209	120.1 Å²	120.1	79%	0.789	64%	0.643	S	S	*	*	H	α-helix	trans	-76.5	-28.9	177.3	-156.7	175.6	-168.3	-162.9	2.8	113.2	A124 N125 S126	A124-R128 WeakPolarHBondContact O-CB 3.27Å; A124-R128 PolarHBondContact O-N 3.39Å; A124-R128 VanDerWaalsContact O-N 3.13Å; N125-R128 PolarHBondContact O-N 3.38Å; S126-R128 VanDerWaalsContact C-N 3.34Å
129	S	56	Low	56.9	Low	101 Å²	101	123 Å²	123	71%	0.706	66%	0.663	S	S	*	*	H	α-helix	trans	-86.9	-12.8	177.4	-161.1	0	0	0	0	113.9	N125 S126	N125-S129 WeakPolarHBondContact O-CB 3.4Å; N125-S129 PolarHBondContact O-N 2.96Å; S126-S129 PolarHBondContact O-N 3.43Å
130	G	52.4	Low	54.6	Low	62 Å²	62	122.9 Å²	122.9	64%	0.639	68%	0.678	S	S	*	*	S	Bend	trans	-99.6	2.2	-176.4	0	0	0	0	0	116.4	S126	S126-G130 PolarHBondContact O-N 3.29Å; S126-G130 VanDerWaalsContact O-N 3.15Å
131	R	48.6	Very low	52.7	Low	217 Å²	217	122.8 Å²	122.8	82%	0.819	69%	0.687	S	S	*	*	S	Bend	trans	-111.2	16.6	-176.5	-75.2	-171.7	173.7	-152.2	-0.5	115
132	S	47.9	Very low	50.9	Low	103 Å²	103	123 Å²	123	72%	0.72	69%	0.694	S	S	*	*	S	Bend	trans	-127.6	48	-170.3	-41.6	0	0	0	0	112.7
133	S	41.2	Very low	49.1	Very low	118 Å²	118	124.4 Å²	124.4	83%	0.825	70%	0.704	S	S	*	*			trans	-161.3	93.1	168.7	63.4	0	0	0	0	111.3
134	G	39	Very low	47.3	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	72%	0.721	S	S	*	*			trans	168.3	112.2	170.3	0	0	0	0	0	113.1
135	F	42.8	Very low	45.7	Very low	185 Å²	185	138.1 Å²	138.1	81%	0.811	74%	0.74	S	S	*	*			trans	104.1	102.5	159.1	-143.9	-108.8	0	0	0	117.8
136	D	44	Very low	44.4	Very low	101 Å²	101	144.7 Å²	144.7	54%	0.54	76%	0.756	S	S	.	*			trans	70	109.1	137	-63.3	10.5	0	0	0	120.4
137	E	36.7	Very low	43.2	Very low	153 Å²	153	144.5 Å²	144.5	72%	0.715	77%	0.766	S	S	*	*				81.5	128	82.3	-117.7	-173	109.2	0	0	113.1
138	R	40.2	Very low	42.2	Very low	218 Å²	218	145.1 Å²	145.1	82%	0.823	78%	0.78	S	S	*	*			trans	85.3	95.7	168	-53.5	168	-177.2	-154.1	-0.3	116.8
139	S	42	Very low	41.2	Very low	125 Å²	125	140.4 Å²	140.4	87%	0.874	78%	0.779	S	S	*	*				176.6	133.2	109.6	-73.9	0	0	0	0	111.4
140	S	36.5	Very low	40.5	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	78%	0.78	S	S	*	*			trans	-73.2	170.9	-169.6	-120.9	0	0	0	0	114.6
141	P	42.9	Very low	40	Very low	108 Å²	108	149.8 Å²	149.8	70%	0.701	78%	0.782	S	S	*	*			trans	-92.6	153.3	-158.9	37.5	-34.2	0	0	0	112.8
142	Q	41	Very low	39.4	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	77%	0.77	S	S	*	*			trans	174.1	132.4	144.1	-104.2	168	-3.8	0	0	112.9
143	S	37.3	Very low	38.7	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	77%	0.772	S	S	*	*			trans	62.7	143.8	153.2	67.3	0	0	0	0	115.2
144	Y	38.3	Very low	38.5	Very low	208 Å²	208	148.7 Å²	148.7	82%	0.816	77%	0.77	S	S	*	*			cis	-164.9	145	43.3	37.8	-88.3	0	0	0	107.6
145	R	35	Very low	38.6	Very low	237 Å²	237	151.2 Å²	151.2	89%	0.894	77%	0.77	S	S	*	*			trans	-61.3	163.6	170	-78	-159.1	-172.1	-157.8	8.2	112.6
146	R	37.1	Very low	38.5	Very low	253 Å²	253	148 Å²	148	96%	0.955	77%	0.767	S	S	*	*			trans	106.9	129.7	161.1	-66.3	-177.4	-176.3	-135.9	2.7	111.3
147	G	33.8	Very low	38.3	Very low	71 Å²	71	148.2 Å²	148.2	73%	0.732	78%	0.775	S	S	*	*			cis	154.2	164.8	12.1	0	0	0	0	0	108.2
148	A	37	Very low	38.3	Very low	99 Å²	99	146.9 Å²	146.9	82%	0.818	78%	0.779	S	S	*	*			trans	81.5	99	178	0	0	0	0	0	114.6
149	S	35.6	Very low	38.3	Very low	111 Å²	111	142.1 Å²	142.1	78%	0.776	77%	0.774	S	S	*	*				62.4	105.1	57.2	-163.6	0	0	0	0	113.8
150	Y	41.8	Very low	37.8	Very low	188 Å²	188	147.6 Å²	147.6	74%	0.737	78%	0.776	S	S	*	*			trans	-167.4	116.5	132.1	-133.9	-107	0	0	0	111.9
151	Y	40.7	Very low	37.9	Very low	171 Å²	171	151.2 Å²	151.2	67%	0.671	78%	0.777	S	S	*	*			trans	52.9	137.5	145.7	-69.4	-110.9	0	0	0	119.5
152	N	36.5	Very low	37.3	Very low	105 Å²	105	149.1 Å²	149.1	56%	0.561	78%	0.775	S	S	*	*			cis	-162	138.5	30.6	-144.7	-8	0	0	0	111.4	Y154	N152-Y154 HydrophobicContact CB-CD2 4.46Å; N152-Y154 HydrophobicContact CB-CE2 4.27Å; N152-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N152-Y154 WeakPolarHBondContact ND2-CE2 3.32Å
153	S	32.8	Very low	37.1	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	78%	0.781	S	S	*	*			trans	-85	127.7	173.3	-39.6	0	0	0	0	109.3
154	Y	38.3	Very low	36.8	Very low	201 Å²	201	148 Å²	148	79%	0.788	77%	0.771	S	S	*	*			trans	-140.7	98.9	163.3	-78.5	-72	0	0	0	111	N152	N152-Y154 HydrophobicContact CB-CD2 4.46Å; N152-Y154 HydrophobicContact CB-CE2 4.27Å; N152-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N152-Y154 WeakPolarHBondContact ND2-CE2 3.32Å
155	T	39.2	Very low	36.7	Very low	131 Å²	131	145.7 Å²	145.7	80%	0.804	77%	0.773	S	S	*	*			trans	-110.1	165	147.2	48.5	0	0	0	0	107
156	P	41.3	Very low	36.6	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	76%	0.76	S	S	*	*				-118	-174.1	-73.1	34.6	-18	0	0	0	110.8
157	P	40.4	Very low	36.1	Very low	106 Å²	106	134.6 Å²	134.6	69%	0.688	75%	0.754	S	S	*	*			trans	-126.6	145.1	151.2	34.8	-22.8	0	0	0	113.1
158	P	36.3	Very low	36.1	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	76%	0.756	S	S	*	*			trans	-83.3	124.2	175.3	33.3	-28.3	0	0	0	109.1
159	T	41.1	Very low	35.7	Very low	117 Å²	117	137.4 Å²	137.4	72%	0.718	75%	0.752	S	S	*	*			trans	-140.5	100.2	169.5	36.8	0	0	0	0	112.7	F161	T159-F161 PolarHBondContact O-N 3.37Å
160	R	31.1	Very low	35.9	Very low	241 Å²	241	137.8 Å²	137.8	91%	0.909	75%	0.751	S	S	*	*			trans	-33.3	109.1	149	-174.5	-172.5	-152	-163.3	5.3	113.5
161	F	38.4	Very low	35.6	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.864	75%	0.751	S	S	*	*			trans	-143.1	114.9	144.4	-75.4	-83.9	0	0	0	104.2	T159	T159-F161 PolarHBondContact O-N 3.37Å
162	G	29.6	Very low	35.1	Very low	64 Å²	64	132.9 Å²	132.9	66%	0.66	75%	0.748	S	S	*	*			cis	98.4	47	36.8	0	0	0	0	0	110.6
163	L	37.7	Very low	35.1	Very low	183 Å²	183	137.5 Å²	137.5	96%	0.958	76%	0.764	S	S	*	*			trans	-124.2	95.2	158.1	-90	160.2	0	0	0	107.9
164	S	32	Very low	34.9	Very low	72 Å²	72	137.1 Å²	137.1	50%	0.503	76%	0.761	S	S	.	*			trans	-68	134.9	-179.6	-36.6	0	0	0	0	111	H166	S164-H166 WeakPolarHBondContact CB-CE1 3.29Å; S164-H166 WeakPolarHBondContact CB-NE2 3.14Å
165	N	35.7	Very low	34.6	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	76%	0.763	S	S	*	*			trans	-140	69.4	149.7	-87.4	-23.4	0	0	0	108.2	C167	N165-C167 PolarHBondContact O-N 3.45Å
166	H	33	Very low	34.4	Very low	131 Å²	131	132.7 Å²	132.7	61%	0.606	75%	0.752	S	S	*	*			trans	-29.1	123.7	149.9	8.9	51.6	0	0	0	113	S164	S164-H166 WeakPolarHBondContact CB-CE1 3.29Å; S164-H166 WeakPolarHBondContact CB-NE2 3.14Å
167	C	26.1	Very low	34.1	Very low	125 Å²	125	132.8 Å²	132.8	85%	0.845	76%	0.756	S	S	*	*			trans	-30.8	125.2	148.5	31.3	0	0	0	0	113.6	N165	N165-C167 PolarHBondContact O-N 3.45Å
168	T	33	Very low	33.8	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	76%	0.759	S	S	*	*			trans	-153.3	109.7	154	-28.8	0	0	0	0	109
169	S	29	Very low	33.8	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	76%	0.759	S	S	*	*			trans	-57.8	140.6	167.7	-60.7	0	0	0	0	110.8	H171	S169-H171 PolarHBondContact O-N 3.21Å
170	P	40.5	Very low	33.3	Very low	118 Å²	118	134 Å²	134	77%	0.766	76%	0.761	S	S	*	*			trans	-87.2	104.5	158.6	21.2	-6.9	0	0	0	109.7
171	H	35.9	Very low	33.4	Very low	156 Å²	156	127 Å²	127	72%	0.722	75%	0.749	S	S	*	*				44.8	111	129.1	-55.4	-65.2	0	0	0	120.3	S169	S169-H171 PolarHBondContact O-N 3.21Å
172	T	29.2	Very low	33.2	Very low	100 Å²	100	128.7 Å²	128.7	61%	0.613	75%	0.75	S	S	*	*				62.4	106.7	121.1	-31.3	0	0	0	0	118.9
173	F	35.7	Very low	33.2	Very low	203 Å²	203	131 Å²	131	89%	0.89	76%	0.756	S	S	*	*				-170.4	92.8	128.5	-74.8	-61.9	0	0	0	106.2
174	S	29.6	Very low	33	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	75%	0.754	S	S	*	*				68.9	130.1	90.9	-60.9	0	0	0	0	115
175	N	31.3	Very low	33	Very low	155 Å²	155	132.5 Å²	132.5	83%	0.829	77%	0.767	S	S	*	*			trans	79.9	130.9	171.3	-82	6.8	0	0	0	118.2
176	S	35.1	Very low	32.8	Very low	84 Å²	84	132.3 Å²	132.3	59%	0.587	77%	0.766	S	S	*	*			cis	172.9	144	-11.6	37	0	0	0	0	105.9
177	S	36.5	Very low	32.8	Very low	119 Å²	119	131.3 Å²	131.3	83%	0.832	77%	0.774	S	S	*	*			trans	75.4	103.1	156.2	-40.6	0	0	0	0	116.1
178	G	32.4	Very low	33.3	Very low	74 Å²	74	129 Å²	129	76%	0.763	77%	0.771	S	S	*	*				96.4	137.9	83.7	0	0	0	0	0	108.8
179	I	36.9	Very low	33.1	Very low	158 Å²	158	127 Å²	127	81%	0.81	78%	0.776	S	S	*	*			cis	-160	143.8	30.3	-72.5	163.8	0	0	0	108.3
180	N	31.6	Very low	33.2	Very low	142 Å²	142	127.9 Å²	127.9	76%	0.759	78%	0.78	S	S	*	*			trans	-16.5	144.6	159.6	-58.9	-59.3	0	0	0	119.5
181	S	33.1	Very low	32.7	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	78%	0.777	S	S	*	*				158.4	128	99.9	-72	0	0	0	0	115
182	R	33.3	Very low	32.6	Very low	233 Å²	233	129.9 Å²	129.9	88%	0.879	78%	0.784	S	S	*	*			trans	85.2	87.8	141.7	-63.9	167.4	-167.8	-148	2.4	119.9
183	S	29.8	Very low	32.9	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	79%	0.788	S	S	*	*				13.5	121.5	117.6	-36.5	0	0	0	0	118.8
184	L	33.4	Very low	32.7	Very low	178 Å²	178	130.9 Å²	130.9	93%	0.932	79%	0.785	S	S	*	*				-151.1	118.1	129.4	-96.2	122.3	0	0	0	109.8
185	S	31.6	Very low	33	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	79%	0.79	S	S	*	*			trans	-69	138.9	178.3	40.6	0	0	0	0	112.8
186	N	31.4	Very low	33.1	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	78%	0.781	S	S	*	*				-151.1	122.7	126.2	-135.2	2	0	0	0	112.5
187	S	33.7	Very low	33	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	79%	0.791	S	S	*	*			trans	-43.1	147.1	176	29.7	0	0	0	0	117.4
188	G	36.1	Very low	32.8	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	79%	0.787	S	S	*	*			trans	169.5	53.9	161.7	0	0	0	0	0	113.5
189	G	29.7	Very low	32.8	Very low	85 Å²	85	138.9 Å²	138.9	88%	0.876	79%	0.785	S	S	*	*			trans	-71.6	136.6	177.3	0	0	0	0	0	112.7
190	C	31.2	Very low	32.8	Very low	121 Å²	121	140.1 Å²	140.1	82%	0.818	79%	0.787	S	S	*	*			trans	-129.8	103.9	155.3	55.9	0	0	0	0	108.9
191	H	28.8	Very low	32.7	Very low	152 Å²	152	141.9 Å²	141.9	70%	0.704	79%	0.79	S	S	*	*			trans	-91.3	109.9	171	169.3	-87.3	0	0	0	106.9	K193	H191-K193 VanDerWaalsContact CE1-CG 3.45Å; H191-K193 WeakPolarHBondContact CE1-CG 3.49Å
192	L	34.9	Very low	32.8	Very low	165 Å²	165	144.9 Å²	144.9	86%	0.864	79%	0.794	S	S	*	*			trans	-119.9	120.8	170	-76.9	168.5	0	0	0	110.1
193	K	34.9	Very low	32.7	Very low	163 Å²	163	142.3 Å²	142.3	71%	0.709	79%	0.785	S	S	*	*			trans	-70.5	144.1	-175.7	-64.9	170	178	177.3	0	109.7	H191	H191-K193 VanDerWaalsContact CE1-CG 3.45Å; H191-K193 WeakPolarHBondContact CE1-CG 3.49Å
194	I	31.9	Very low	33	Very low	161 Å²	161	143 Å²	143	83%	0.826	78%	0.78	S	S	*	*			trans	-77.5	116.9	171.2	-62.3	158.8	0	0	0	107.1
195	D	35.4	Very low	33.1	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	77%	0.772	S	S	*	*			trans	-113.8	130.7	162.9	-76.3	-39.4	0	0	0	109.2
196	P	33.9	Very low	33	Very low	100 Å²	100	139.9 Å²	139.9	65%	0.649	76%	0.764	S	S	*	*			trans	-97.9	144.6	-176.3	36.3	-31.4	0	0	0	113.2
197	I	33	Very low	33.3	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	77%	0.767	S	S	*	*			trans	70.7	113.4	152.3	-53.3	154.9	0	0	0	116.7
198	N	32.6	Very low	33.5	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	77%	0.768	S	S	*	*				160.7	150.8	102.5	-134.2	-20.6	0	0	0	112.6
199	H	31.5	Very low	33.6	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.727	77%	0.767	S	S	*	*			trans	-52.1	141.2	179.5	-69.6	-91.4	0	0	0	115.7
200	H	36.7	Very low	34	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.856	76%	0.757	S	S	*	*				179.2	138.8	113.8	-103.5	-66.9	0	0	0	113
201	H	30.3	Very low	33.9	Very low	178 Å²	178	145.6 Å²	145.6	82%	0.824	75%	0.754	S	S	*	*			trans	-62.2	137.4	172.3	-72.4	-100.3	0	0	0	112.6
202	H	34.9	Very low	34	Very low	159 Å²	159	144.2 Å²	144.2	74%	0.736	75%	0.752	S	S	*	*			trans	-152.9	125.4	145.4	-143.7	-78.9	0	0	0	110.7
203	Y	31.2	Very low	34.1	Very low	179 Å²	179	143.7 Å²	143.7	70%	0.702	75%	0.745	S	S	*	*			trans	-73.2	141.4	168.6	48.4	-87.5	0	0	0	108.9
204	D	36.2	Very low	33.8	Very low	125 Å²	125	144.1 Å²	144.1	67%	0.668	76%	0.755	S	S	*	*				-172.3	148	119.9	-147.4	7.2	0	0	0	114.2
205	Q	35.9	Very low	33.7	Very low	165 Å²	165	139.8 Å²	139.8	77%	0.771	75%	0.75	S	S	*	*			trans	-1.2	137.4	165.7	-73.9	159.8	63.4	0	0	123.3
206	G	29.1	Very low	33.3	Very low	57 Å²	57	140.8 Å²	140.8	59%	0.588	76%	0.755	S	S	*	*				101	121.1	118.2	0	0	0	0	0	115.7
207	H	37.7	Very low	33.1	Very low	196 Å²	196	142 Å²	142	91%	0.907	77%	0.765	S	S	*	*			trans	153.5	111.9	133.9	-72.6	-52.1	0	0	0	110.8
208	T	36.8	Very low	32.9	Very low	130 Å²	130	146.8 Å²	146.8	80%	0.798	77%	0.774	S	S	*	*			trans	-71.5	-176.9	157.3	56.8	0	0	0	0	109.1
209	P	38.7	Very low	33	Very low	115 Å²	115	145.9 Å²	145.9	75%	0.747	78%	0.778	S	S	*	*			cis	-142.5	-140.3	7	36.1	-9.6	0	0	0	111.5
210	P	37.7	Very low	32.9	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	78%	0.778	S	S	*	*				-123.3	170	-61.5	29.2	-9.1	0	0	0	115.1
211	T	30	Very low	32.8	Very low	125 Å²	125	139 Å²	139	77%	0.767	78%	0.779	S	S	*	*			trans	18.1	136.9	144.5	68.2	0	0	0	0	121.7
212	N	31.1	Very low	32.9	Very low	124 Å²	124	134.8 Å²	134.8	66%	0.663	77%	0.769	S	S	*	*				139.5	150.6	109	-154.3	-5.6	0	0	0	113.4
213	H	36.4	Very low	32.8	Very low	154 Å²	154	135.5 Å²	135.5	71%	0.713	77%	0.772	S	S	*	*			trans	99.6	95.6	157.8	-41.1	-59.9	0	0	0	119.8
214	N	29.2	Very low	32.8	Very low	171 Å²	171	131.7 Å²	131.7	91%	0.914	77%	0.772	S	S	*	*			trans	-20.1	135.3	142.4	-66.5	-31	0	0	0	115.7
215	G	29	Very low	32.8	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	78%	0.779	S	S	*	*			trans	166.5	90.3	165.1	0	0	0	0	0	113.9
216	L	27.3	Very low	32.6	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	78%	0.78	S	S	*	*			trans	8.6	120	145.5	-64.4	143.6	0	0	0	116.4
217	S	30.3	Very low	32.9	Very low	125 Å²	125	136.3 Å²	136.3	87%	0.874	79%	0.79	S	S	*	*			trans	179.3	127	132	-81.3	0	0	0	0	112.9
218	R	29.5	Very low	32.6	Very low	254 Å²	254	132.8 Å²	132.8	96%	0.958	78%	0.782	S	S	*	*			trans	-58.1	131.9	163.2	-72.6	159.2	85.6	-149.8	12	109.9
219	S	33.4	Very low	32.4	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	77%	0.774	S	S	*	*			trans	-170.4	119.6	160.7	165.9	0	0	0	0	105.3
220	G	29.8	Very low	32.3	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	77%	0.774	S	S	*	*			cis	122.3	95.6	31.9	0	0	0	0	0	107.6
221	S	35.3	Very low	31.8	Very low	128 Å²	128	129.6 Å²	129.6	90%	0.895	77%	0.773	S	S	*	*			trans	-148.7	127.3	145.9	-168.6	0	0	0	0	108.9
222	C	31	Very low	31.9	Very low	89 Å²	89	133.4 Å²	133.4	60%	0.601	78%	0.78	S	S	*	*			trans	-142.1	168.9	-160.9	37.2	0	0	0	0	108.6
223	H	33.3	Very low	32.3	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.806	78%	0.783	S	S	*	*			trans	86.5	140.5	172.1	-48	94.2	0	0	0	114.7
224	S	30.9	Very low	32.1	Very low	100 Å²	100	132 Å²	132	70%	0.699	79%	0.79	S	S	*	*			cis	-171.8	158.8	1.1	41.6	0	0	0	0	104.1
225	V	36.4	Very low	32.3	Very low	135 Å²	135	126.5 Å²	126.5	82%	0.818	78%	0.775	S	S	*	*				-168.7	140	62	-120.7	0	0	0	0	108.5
226	I	32.6	Very low	32.6	Very low	154 Å²	154	129.4 Å²	129.4	79%	0.79	78%	0.778	S	S	*	*			trans	-76.8	128.9	162.5	-62.5	168.8	0	0	0	107.6
227	I	34.5	Very low	32.9	Very low	154 Å²	154	126.9 Å²	126.9	79%	0.79	77%	0.766	S	S	*	*			trans	-149.5	110.5	137.4	-52.8	-174.9	0	0	0	108.6
228	T	31.3	Very low	33.1	Very low	122 Å²	122	127 Å²	127	75%	0.748	76%	0.757	S	S	*	*			trans	-84.9	143.7	152.2	-25.1	0	0	0	0	106.9
229	P	33.8	Very low	33.3	Very low	96 Å²	96	121.9 Å²	121.9	62%	0.623	75%	0.748	S	S	*	*				-149.7	144.3	110.9	36.2	-16.9	0	0	0	114.2
230	T	34.8	Very low	33.3	Very low	122 Å²	122	121.5 Å²	121.5	75%	0.748	74%	0.741	S	S	*	*			trans	28.8	110.5	137.4	61.5	0	0	0	0	116.9
231	G	28.3	Very low	33.5	Very low	63 Å²	63	125.1 Å²	125.1	65%	0.649	75%	0.749	S	S	*	*				67.2	88.5	67.1	0	0	0	0	0	111.8
232	F	32.7	Very low	33.3	Very low	206 Å²	206	122.6 Å²	122.6	90%	0.904	74%	0.743	S	S	*	*			trans	-169.5	155.2	152	-85.7	-59	0	0	0	109.7
233	P	38.4	Very low	33.4	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	75%	0.751	S	S	*	*			trans	-110.8	-176.5	-134.7	42.7	-30.1	0	0	0	113.4
234	P	32.7	Very low	33.3	Very low	134 Å²	134	121.1 Å²	121.1	87%	0.87	75%	0.753	S	S	*	*			trans	-90	149.1	-162.3	35.8	-30.5	0	0	0	113.5
235	G	34	Very low	33.5	Very low	57 Å²	57	122.8 Å²	122.8	59%	0.588	76%	0.758	S	S	*	*			trans	-145.4	113.1	163.4	0	0	0	0	0	108.5
236	T	35.4	Very low	33.3	Very low	130 Å²	130	119.6 Å²	119.6	80%	0.798	75%	0.753	S	S	*	*				65.8	130.8	102.7	54.4	0	0	0	0	112.8
237	N	33.6	Very low	33.6	Very low	119 Å²	119	118.2 Å²	118.2	64%	0.636	76%	0.757	S	S	*	*			cis	170.9	156.4	-2.3	44	-8.5	0	0	0	104.8
238	N	33	Very low	33.6	Very low	127 Å²	127	116.6 Å²	116.6	68%	0.679	76%	0.755	S	S	*	*			trans	68.2	110.2	152.3	-56	-14.8	0	0	0	119.9
239	N	34.9	Very low	33.9	Very low	146 Å²	146	120.1 Å²	120.1	78%	0.781	76%	0.763	S	S	*	*				170.8	114	104	-87.7	-30.5	0	0	0	108.9
240	T	32.6	Very low	34	Very low	113 Å²	113	120.9 Å²	120.9	69%	0.693	77%	0.766	S	S	*	*				78	104	72.3	-59.2	0	0	0	0	112.1
241	V	34.5	Very low	34.2	Very low	145 Å²	145	122.1 Å²	122.1	88%	0.879	77%	0.766	S	S	*	*			trans	81.5	126.3	139.9	174.8	0	0	0	0	119.7
242	G	31	Very low	34.6	Very low	75 Å²	75	126.6 Å²	126.6	77%	0.773	78%	0.775	S	S	*	*			trans	155.8	100.9	136.9	0	0	0	0	0	117.8
243	G	32.3	Very low	34.9	Very low	74 Å²	74	123.7 Å²	123.7	76%	0.763	77%	0.768	S	S	*	*			trans	83.6	111.2	153.5	0	0	0	0	0	116.5
244	N	31.7	Very low	34.9	Very low	158 Å²	158	124 Å²	124	85%	0.845	77%	0.77	S	S	*	*				53.6	117.4	51.2	-126.1	6.8	0	0	0	110.8
245	V	35	Very low	34.9	Very low	135 Å²	135	130 Å²	130	82%	0.818	78%	0.775	S	S	*	*				-173.3	155.1	53.2	-91.9	0	0	0	0	109.4
246	G	32.2	Very low	34.8	Very low	69 Å²	69	130.7 Å²	130.7	71%	0.711	78%	0.783	S	S	*	*			trans	151.3	83.9	152.9	0	0	0	0	0	118.9
247	S	39.9	Very low	34.9	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	78%	0.782	S	S	*	*			trans	79.6	101.5	138.7	-45.5	0	0	0	0	120.8
248	T	33.8	Very low	35.2	Very low	120 Å²	120	131.3 Å²	131.3	74%	0.736	80%	0.795	S	S	*	*			trans	-46.8	134.1	162.3	-36.4	0	0	0	0	115.6
249	E	37.5	Very low	35.4	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	80%	0.796	S	S	*	*			trans	-138.5	121.8	137.9	-68.4	-156.6	-172.6	0	0	109.3
250	T	35	Very low	35.6	Very low	111 Å²	111	130.4 Å²	130.4	68%	0.681	79%	0.794	S	S	*	*			trans	-91.9	125.4	-174.4	-51.9	0	0	0	0	110.1
251	I	40.1	Very low	36.1	Very low	148 Å²	148	132 Å²	132	76%	0.759	80%	0.798	S	S	*	*			trans	-124.5	108.5	162.7	-57.4	-179.8	0	0	0	108.6	I253	I251-I253 HydrophobicContact CG2-CD1 4.12Å; I251-I253 HydrophobicContact CG2-CG1 3.99Å
252	N	35.5	Very low	36.5	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	79%	0.786	S	S	*	*			trans	-72.3	122.5	167.9	-103.4	-40.4	0	0	0	109.8
253	I	40	Very low	36.8	Very low	146 Å²	146	136.3 Å²	136.3	75%	0.749	79%	0.79	S	S	*	*			trans	-138.8	135.8	163.6	-60.3	-176.9	0	0	0	108.4	I251	I251-I253 HydrophobicContact CG2-CD1 4.12Å; I251-I253 HydrophobicContact CG2-CG1 3.99Å
254	P	37.7	Very low	37.4	Very low	119 Å²	119	140 Å²	140	77%	0.773	79%	0.787	S	S	*	*			trans	-80.1	154.9	-150.5	30	-35.4	0	0	0	116.2	G256	P254-G256 PolarHBondContact O-N 3.12Å
255	R	32.3	Very low	37.5	Very low	259 Å²	259	135.9 Å²	135.9	98%	0.977	78%	0.781	S	S	*	*	S	Bend	trans	-59.6	105.5	170.7	-175.9	173.1	165	145.5	-4.5	110.6
256	G	32.5	Very low	37.6	Very low	73 Å²	73	137.4 Å²	137.4	75%	0.753	78%	0.779	S	S	*	*			trans	142.6	64.4	168.6	0	0	0	0	0	115.7	P254	P254-G256 PolarHBondContact O-N 3.12Å
257	S	38.5	Very low	37.6	Very low	111 Å²	111	138.8 Å²	138.8	78%	0.776	77%	0.774	S	S	*	*			trans	-142.2	106	160.3	-79.7	0	0	0	0	108.9	V259	S257-V259 PolarHBondContact O-N 3.39Å; S257-V259 VanDerWaalsContact O-N 3.1Å
258	T	39.5	Very low	37.5	Very low	150 Å²	150	142.3 Å²	142.3	92%	0.92	78%	0.776	S	S	*	*			trans	-66.5	100.3	169	47.8	0	0	0	0	108.7
259	V	38	Very low	37.2	Very low	117 Å²	117	145.2 Å²	145.2	71%	0.709	78%	0.781	S	S	*	*			trans	-89.3	113.2	165.7	-173.4	0	0	0	0	106.9	S257 L261	S257-V259 PolarHBondContact O-N 3.39Å; S257-V259 VanDerWaalsContact O-N 3.1Å; V259-L261 PolarHBondContact O-N 3.35Å; V259-L261 VanDerWaalsContact O-N 3.13Å
260	N	39.1	Very low	37	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	78%	0.775	S	S	*	*			trans	-66.4	106.7	175.1	-166.8	-2.4	0	0	0	108.9	N262	N260-N262 PolarHBondContact O-N 3.21Å; N260-N262 PolarHBondContact OD1-OD1 3.12Å
261	L	42.9	Very low	36.7	Very low	147 Å²	147	142.6 Å²	142.6	77%	0.77	78%	0.778	S	S	*	*			trans	-85.3	83.5	174.9	-71.9	166.5	0	0	0	108.5	V259 F263	V259-L261 PolarHBondContact O-N 3.35Å; V259-L261 VanDerWaalsContact O-N 3.13Å; L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.95Å
262	N	41.3	Very low	36.2	Very low	117 Å²	117	138.7 Å²	138.7	63%	0.626	77%	0.773	S	S	*	*			trans	-69.4	93.7	164.2	-96.4	41.4	0	0	0	108.9	N260 H264	N260-N262 PolarHBondContact O-N 3.21Å; N260-N262 PolarHBondContact OD1-OD1 3.12Å; N262-H264 PolarHBondContact O-N 2.91Å; N262-H264 VanDerWaalsContact O-N 3.11Å; N262-H264 PolarHBondContact O-ND1 3.13Å
263	F	38.4	Very low	36.5	Very low	193 Å²	193	141 Å²	141	85%	0.846	78%	0.776	S	S	*	*			trans	-62.6	103.8	167.5	-126.8	-95.8	0	0	0	108.5	L261 G265	L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.95Å; F263-G265 PolarHBondContact O-N 3.47Å
264	H	43.6	Very low	37.4	Very low	152 Å²	152	136 Å²	136	70%	0.704	76%	0.761	S	S	*	*			trans	-77.3	105.3	172	-73.5	71.2	0	0	0	108.3	N262	N262-H264 PolarHBondContact O-N 2.91Å; N262-H264 VanDerWaalsContact O-N 3.11Å; N262-H264 PolarHBondContact O-ND1 3.13Å
265	G	33.9	Very low	39.5	Very low	70 Å²	70	131.4 Å²	131.4	72%	0.722	74%	0.736	S	S	*	*			trans	-57.4	136.7	161.5	0	0	0	0	0	110	F263	F263-G265 PolarHBondContact O-N 3.47Å
266	H	37.9	Very low	42.3	Very low	167 Å²	167	121.8 Å²	121.8	77%	0.773	71%	0.706	S	S	*	*			trans	-66.6	132.9	-171.1	-57.9	-67	0	0	0	112.8
267	T	32.2	Very low	45.3	Very low	99 Å²	99	119.9 Å²	119.9	61%	0.607	68%	0.677	S	S	*	*			trans	68.4	95	138.9	63.3	0	0	0	0	118.5
268	H	37.5	Very low	48	Very low	199 Å²	199	115.6 Å²	115.6	92%	0.921	65%	0.646	S	S	*	*				-122.2	118.6	113.5	-87.1	-86.8	0	0	0	108.7	N270	H268-N270 PolarHBondContact O-N 2.9Å
269	Q	28.4	Very low	50.7	Low	181 Å²	181	108.6 Å²	108.6	85%	0.846	60%	0.603	S	S	*	*			trans	-69.2	110.4	171.4	-62.4	174.3	-3.8	0	0	107.6
270	N	31.8	Very low	53.4	Low	145 Å²	145	107.1 Å²	107.1	78%	0.775	59%	0.589	S	S	*	*			trans	-154.7	103.1	146.7	-147.9	2.5	0	0	0	111.2	H268	H268-N270 PolarHBondContact O-N 2.9Å
271	S	29	Very low	56.1	Low	107 Å²	107	106.6 Å²	106.6	75%	0.748	58%	0.577	S	S	*	*			trans	35	104	137.7	-45.6	0	0	0	0	118.7
272	G	29.8	Very low	58.5	Low	65 Å²	65	101.7 Å²	101.7	67%	0.67	56%	0.563	S	S	*	*	S	Bend	trans	73.6	109.8	136.2	0	0	0	0	0	118.5
273	F	41.9	Very low	61.1	Low	205 Å²	205	97.3 Å²	97.3	90%	0.899	54%	0.537	S	S	*	.			trans	62.2	82.7	153.4	-62.2	-88.8	0	0	0	116.4	G275	F273-G275 PolarHBondContact O-N 2.79Å
274	G	59.1	Low	63.8	Low	41 Å²	41	95.7 Å²	95.7	42%	0.423	53%	0.533	S	S	.	.			trans	-53.8	111.8	148.5	0	0	0	0	0	107.7
275	G	81.2	Confident	66.3	Low	24 Å²	24	90.2 Å²	90.2	25%	0.247	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	149.9	-170.5	0	0	0	0	0	111.1	F273 F277 G302	F273-G275 PolarHBondContact O-N 2.79Å; G275-F277 VanDerWaalsContact O-CD2 3.25Å; G275-F277 WeakPolarHBondContact O-CD2 3.43Å; G275-F277 WeakPolarHBondContact O-CE2 3.28Å; G275-G302 PolarHBondContact N-O 2.98Å; G275-G302 PolarHBondContact O-N 3.1Å
276	T	92.4	Very high	69.1	Low	57 Å²	57	95.2 Å²	95.2	35%	0.35	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133	164.5	-55	0	0	0	0	107.7	I298 I299 V300 Y331	T276-I298 HydrophobicContact CG2-CG2 3.46Å; T276-I298 VanDerWaalsContact CG2-CG2 3.46Å; T276-I299 CarbonylContact C-O 3.55Å; T276-I299 WeakPolarHBondContact CA-O 3.12Å; T276-V300 HydrophobicContact CG2-CG1 4.39Å; T276-Y331 HydrophobicContact CG2-CD1 3.89Å; T276-Y331 HydrophobicContact CG2-CG 3.96Å; T276-Y331 VanDerWaalsContact O-CB 3.31Å; T276-Y331 WeakPolarHBondContact O-CB 3.45Å; T276-Y331 PolarHBondContact O-N 3.5Å
277	F	94.6	Very high	71.7	Confident	32 Å²	32	93.1 Å²	93.1	14%	0.14	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	159.8	179.4	-58.3	-101.3	0	0	0	109.8	G275 I298 I299 M310 V328 K329 P330	G275-F277 VanDerWaalsContact O-CD2 3.25Å; G275-F277 WeakPolarHBondContact O-CD2 3.43Å; G275-F277 WeakPolarHBondContact O-CE2 3.28Å; F277-I298 CarbonylContact O-C 3.57Å; F277-I298 WeakPolarHBondContact O-CA 3.32Å; F277-I299 HydrophobicContact CB-CB 4.21Å; F277-I299 PolarHBondContact N-O 2.8Å; F277-I299 PolarHBondContact O-N 3.26Å; F277-M310 HydrophobicContact CD1-CE 4.29Å; F277-M310 HydrophobicContact CD1-SD 4.5Å; F277-M310 HydrophobicContact CD2-SD 4.36Å; F277-M310 HydrophobicContact CE1-CE 3.99Å; F277-M310 HydrophobicContact CE2-SD 4.37Å; F277-M310 HydrophobicContact CG-SD 4.44Å; F277-M310 HydrophobicContact CZ-CE 4.24Å; F277-M310 HydrophobicContact CZ-SD 4.44Å; F277-V328 HydrophobicContact CB-CB 4.02Å; F277-V328 HydrophobicContact CB-CG2 4.25Å; F277-V328 HydrophobicContact CD1-CG2 4.19Å; F277-V328 HydrophobicContact CG-CG2 4.39Å; F277-K329 CarbonylContact C-O 3.58Å; F277-K329 WeakPolarHBondContact CA-O 3.44Å; F277-K329 WeakPolarHBondContact CB-O 3.42Å; F277-P330 HydrophobicContact CD1-CG 4.28Å; F277-P330 HydrophobicContact CE1-CG 4.1Å
278	V	95.4	Very high	74.6	Confident	21 Å²	21	97 Å²	97	13%	0.127	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.4	171.5	57.6	0	0	0	0	109.6	Q280 D297 V328 K329 Y331	V278-Q280 PolarHBondContact O-N 3.24Å; V278-D297 CarbonylContact C-O 3.57Å; V278-D297 WeakPolarHBondContact CA-O 3.32Å; V278-V328 CarbonylContact O-C 3.58Å; V278-V328 WeakPolarHBondContact O-CA 3.36Å; V278-K329 HydrophobicContact CG1-CD 4.05Å; V278-K329 HydrophobicContact CG1-CG 3.46Å; V278-K329 VanDerWaalsContact CG1-CG 3.46Å; V278-K329 PolarHBondContact N-O 3.15Å; V278-K329 PolarHBondContact O-N 3.48Å; V278-Y331 HydrophobicContact CB-CD2 3.98Å; V278-Y331 HydrophobicContact CG1-CD2 4.19Å
279	A	96.1	Very high	77.2	Confident	3 Å²	3	91.2 Å²	91.2	3%	0.025	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.1	176.2	0	0	0	0	0	110.7	F293 K294 G296 D297 Y327	A279-F293 HydrophobicContact CB-CD2 3.38Å; A279-F293 HydrophobicContact CB-CE2 3.75Å; A279-F293 HydrophobicContact CB-CG 4.39Å; A279-K294 VanDerWaalsContact CB-O 3.27Å; A279-K294 WeakPolarHBondContact CB-O 3.43Å; A279-G296 PolarHBondContact O-N 2.69Å; A279-D297 HydrophobicContact CB-CB 4.29Å; A279-D297 PolarHBondContact N-O 3.35Å; A279-Y327 CarbonylContact C-O 3.49Å
280	Q	94.6	Very high	80.4	Confident	87 Å²	87	83.8 Å²	83.8	41%	0.407	46%	0.464	S	S	.	.	S	Bend	trans	-76.9	-35.6	172.9	-169.8	168	51.2	0	0	110.8	V278 S295 Y327	V278-Q280 PolarHBondContact O-N 3.24Å; Q280-S295 PolarHBondContact O-OG 3.16Å; Q280-Y327 PolarHBondContact N-O 2.78Å
281	Y	94.9	Very high	83.4	Confident	126 Å²	126	76.9 Å²	76.9	49%	0.494	43%	0.427	S	S	.	.	S	Bend	trans	-128.4	163.2	-178.9	-50.8	-72.3	0	0	0	111	F293	Y281-F293 WeakPolarHBondContact O-CE2 3.45Å
282	G	94.6	Very high	86.6	Confident	45 Å²	45	74.6 Å²	74.6	46%	0.464	41%	0.409	S	S	.	.			trans	-78.9	145.8	168.7	0	0	0	0	0	111.3	F293	G282-F293 CarbonylContact C-O 3.57Å; G282-F293 VanDerWaalsContact CA-O 3.32Å; G282-F293 WeakPolarHBondContact CA-O 3.37Å
283	Y	96	Very high	89.8	Confident	24 Å²	24	71.6 Å²	71.6	9%	0.094	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-139.4	135	176.5	-177.2	-103.4	0	0	0	110	E290 V291 T292 F293 P324 Y327	Y283-E290 PolarHBondContact OH-OE1 3.23Å; Y283-E290 PolarHBondContact OH-OE2 2.89Å; Y283-V291 WeakPolarHBondContact CD1-O 3.14Å; Y283-T292 CarbonylContact O-C 3.59Å; Y283-T292 VanDerWaalsContact O-CA 3.3Å; Y283-T292 WeakPolarHBondContact O-CA 3.22Å; Y283-T292 WeakPolarHBondContact O-CG2 3.29Å; Y283-F293 AromaticContact CD1-CE1 3.85Å; Y283-F293 HydrophobicContact CD1-CE1 3.85Å; Y283-F293 HydrophobicContact CD1-CZ 4.33Å; Y283-F293 HydrophobicContact CG-CE1 4.05Å; Y283-F293 HydrophobicContact CG-CZ 4.07Å; Y283-F293 PolarHBondContact N-O 3.49Å; Y283-F293 PolarHBondContact O-N 2.93Å; Y283-F293 VanDerWaalsContact O-O 3.12Å; Y283-P324 HydrophobicContact CD1-CG 4.49Å; Y283-P324 HydrophobicContact CD2-CG 3.99Å; Y283-P324 HydrophobicContact CE1-CG 4.21Å; Y283-P324 HydrophobicContact CE2-CG 3.66Å; Y283-P324 HydrophobicContact CG-CG 4.39Å; Y283-Y327 HydrophobicContact CD2-CD1 4.23Å; Y283-Y327 AromaticContact CD2-CE1 3.95Å; Y283-Y327 HydrophobicContact CD2-CE1 3.95Å; Y283-Y327 HydrophobicContact CG-CD1 4.49Å
284	E	95.5	Very high	92.3	Very high	160 Å²	160	68.6 Å²	68.6	75%	0.748	36%	0.364	S	S	*	.			trans	-105.4	128.4	175.1	-65.8	-175.1	167	0	0	109.1	K286 T292	E284-K286 PolarHBondContact O-N 2.79Å; E284-T292 HydrophobicContact CG-CG2 4.47Å
285	A	94.8	Very high	94	Very high	36 Å²	36	70.5 Å²	70.5	30%	0.298	37%	0.371	S	S	.	.			trans	-65.4	130.9	179.8	0	0	0	0	0	110	E290 T292	A285-E290 HydrophobicContact CB-CB 3.78Å; A285-E290 WeakPolarHBondContact CB-O 3.39Å; A285-T292 VanDerWaalsContact CB-OG1 3.3Å; A285-T292 WeakPolarHBondContact CB-OG1 3.28Å; A285-T292 PolarHBondContact N-OG1 2.83Å
286	K	92.7	Very high	94.7	Very high	175 Å²	175	71.7 Å²	71.7	76%	0.761	38%	0.383	S	S	*	.	S	Bend	trans	-96.8	-30.1	176.6	-62.3	179.9	-179.2	179.2	0	111.9	E284 E290	E284-K286 PolarHBondContact O-N 2.79Å; K286-E290 WeakPolarHBondContact CB-OE2 3.21Å; K286-E290 PolarHBondContact N-OE2 3.44Å
287	E	93.5	Very high	94.8	Very high	124 Å²	124	69.9 Å²	69.9	58%	0.579	37%	0.371	S	S	*	.	S	Bend	trans	-119.5	160.5	179.6	-61.5	-174.2	-161.2	0	0	110.7	D289 E290	E287-D289 WeakPolarHBondContact CB-OD1 3.18Å; E287-D289 PolarHBondContact O-N 3.41Å; E287-E290 HydrophobicContact CB-CG 4.23Å; E287-E290 PolarHBondContact N-OE2 3.07Å; E287-E290 PolarHBondContact O-N 3.21Å
288	D	91.6	Very high	94.8	Very high	181 Å²	181	70.2 Å²	70.2	97%	0.968	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.7	-174.8	-73.8	-28.4	0	0	0	113.3
289	D	93.2	Very high	94.8	Very high	77 Å²	77	69.2 Å²	69.2	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.2	176.3	63.8	-24.6	0	0	0	113.1	E287 G321 M322	E287-D289 WeakPolarHBondContact CB-OD1 3.18Å; E287-D289 PolarHBondContact O-N 3.41Å; D289-G321 CarbonylContact O-C 3.52Å; D289-G321 WeakPolarHBondContact O-CA 3.15Å; D289-M322 PolarHBondContact O-N 2.89Å
290	E	95.6	Very high	94.7	Very high	24 Å²	24	70.8 Å²	70.8	11%	0.112	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-91.4	157	177.8	-66.8	179.1	172	0	0	113.1	Y283 A285 K286 E287 W309 M322	Y283-E290 PolarHBondContact OH-OE1 3.23Å; Y283-E290 PolarHBondContact OH-OE2 2.89Å; A285-E290 HydrophobicContact CB-CB 3.78Å; A285-E290 WeakPolarHBondContact CB-O 3.39Å; K286-E290 WeakPolarHBondContact CB-OE2 3.21Å; K286-E290 PolarHBondContact N-OE2 3.44Å; E287-E290 HydrophobicContact CB-CG 4.23Å; E287-E290 PolarHBondContact N-OE2 3.07Å; E287-E290 PolarHBondContact O-N 3.21Å; E290-W309 HydrophobicContact CG-CZ3 4.33Å; E290-W309 VanDerWaalsContact OE1-CH2 3.28Å; E290-W309 WeakPolarHBondContact OE1-CH2 3.48Å; E290-M322 CarbonylContact C-O 3.6Å; E290-M322 VanDerWaalsContact CA-O 3.27Å; E290-M322 WeakPolarHBondContact CA-O 3.41Å; E290-M322 HydrophobicContact CG-CB 4.41Å
291	V	95	Very high	94.5	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.006	39%	0.385	C	S	.	.			trans	-110.7	133.7	178	-68.5	0	0	0	0	113.6	Y283 F293 V314 K319 F320 G321 M322 L323	Y283-V291 WeakPolarHBondContact CD1-O 3.14Å; V291-F293 HydrophobicContact CG2-CD1 4.2Å; V291-F293 WeakPolarHBondContact O-CD1 3.49Å; V291-V314 HydrophobicContact CB-CG2 3.77Å; V291-V314 HydrophobicContact CG1-CG2 4.37Å; V291-V314 HydrophobicContact CG2-CG2 3.83Å; V291-K319 HydrophobicContact CG1-CB 4.11Å; V291-F320 VanDerWaalsContact CG1-C 3.42Å; V291-G321 VanDerWaalsContact CG1-N 3.26Å; V291-M322 PolarHBondContact N-O 3.27Å; V291-L323 HydrophobicContact CG2-CB 3.82Å; V291-L323 HydrophobicContact CG2-CD2 3.74Å; V291-L323 HydrophobicContact CG2-CG 4.43Å
292	T	96.2	Very high	94.3	Very high	59 Å²	59	66 Å²	66	36%	0.362	36%	0.364	S	S	.	.			trans	-87.1	125.2	172	-58.8	0	0	0	0	111	Y283 E284 A285	Y283-T292 CarbonylContact O-C 3.59Å; Y283-T292 VanDerWaalsContact O-CA 3.3Å; Y283-T292 WeakPolarHBondContact O-CA 3.22Å; Y283-T292 WeakPolarHBondContact O-CG2 3.29Å; E284-T292 HydrophobicContact CG-CG2 4.47Å; A285-T292 VanDerWaalsContact CB-OG1 3.3Å; A285-T292 WeakPolarHBondContact CB-OG1 3.28Å; A285-T292 PolarHBondContact N-OG1 2.83Å
293	F	96.3	Very high	94.1	Very high	2 Å²	2	70 Å²	70	1%	0.009	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-140	158.1	178.7	56.3	-91.5	0	0	0	111.8	A279 Y281 G282 Y283 V291 D297 I299 V314 L323 Y327 V328	A279-F293 HydrophobicContact CB-CD2 3.38Å; A279-F293 HydrophobicContact CB-CE2 3.75Å; A279-F293 HydrophobicContact CB-CG 4.39Å; Y281-F293 WeakPolarHBondContact O-CE2 3.45Å; G282-F293 CarbonylContact C-O 3.57Å; G282-F293 VanDerWaalsContact CA-O 3.32Å; G282-F293 WeakPolarHBondContact CA-O 3.37Å; Y283-F293 AromaticContact CD1-CE1 3.85Å; Y283-F293 HydrophobicContact CD1-CE1 3.85Å; Y283-F293 HydrophobicContact CD1-CZ 4.33Å; Y283-F293 HydrophobicContact CG-CE1 4.05Å; Y283-F293 HydrophobicContact CG-CZ 4.07Å; Y283-F293 PolarHBondContact N-O 3.49Å; Y283-F293 PolarHBondContact O-N 2.93Å; Y283-F293 VanDerWaalsContact O-O 3.12Å; V291-F293 HydrophobicContact CG2-CD1 4.2Å; V291-F293 WeakPolarHBondContact O-CD1 3.49Å; F293-D297 WeakPolarHBondContact CA-OD2 3.17Å; F293-D297 HydrophobicContact CB-CB 4.16Å; F293-I299 HydrophobicContact CB-CD1 4.43Å; F293-I299 HydrophobicContact CG-CD1 4.44Å; F293-V314 HydrophobicContact CB-CG1 4.12Å; F293-V314 HydrophobicContact CB-CG2 4.07Å; F293-L323 HydrophobicContact CD1-CB 4.47Å; F293-L323 HydrophobicContact CE1-CB 3.63Å; F293-L323 HydrophobicContact CZ-CB 4.32Å; F293-Y327 HydrophobicContact CZ-CD1 4.49Å; F293-Y327 HydrophobicContact CZ-CG 4.47Å; F293-V328 HydrophobicContact CE2-CG1 4.43Å; F293-V328 HydrophobicContact CZ-CG1 4.43Å
294	K	95.2	Very high	93.7	Very high	141 Å²	141	73.6 Å²	73.6	61%	0.613	40%	0.397	S	S	*	.			trans	-106.9	158.5	178	-62.9	-170	178.4	-162.7	0	109.9	A279 G296 D297	A279-K294 VanDerWaalsContact CB-O 3.27Å; A279-K294 WeakPolarHBondContact CB-O 3.43Å; K294-G296 PolarHBondContact O-N 3.21Å; K294-D297 PolarHBondContact N-OD2 3.27Å; K294-D297 VanDerWaalsContact O-CB 3.32Å; K294-D297 WeakPolarHBondContact O-CB 3.25Å; K294-D297 PolarHBondContact O-N 3.49Å
295	S	95	Very high	93.3	Very high	82 Å²	82	69.2 Å²	69.2	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130	171.4	-176	0	0	0	0	109.8	Q280	Q280-S295 PolarHBondContact O-OG 3.16Å
296	G	94.5	Very high	92.9	Very high	48 Å²	48	71.6 Å²	71.6	50%	0.495	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-8.3	-175.2	0	0	0	0	0	115.7	A279 K294	A279-G296 PolarHBondContact O-N 2.69Å; K294-G296 PolarHBondContact O-N 3.21Å
297	D	95.9	Very high	92.5	Very high	19 Å²	19	72.5 Å²	72.5	10%	0.102	40%	0.396	C	S	.	.			trans	-66.8	141.4	176	-79.4	-16.1	0	0	0	111.6	V278 A279 F293 K294 V314 R316	V278-D297 CarbonylContact C-O 3.57Å; V278-D297 WeakPolarHBondContact CA-O 3.32Å; A279-D297 HydrophobicContact CB-CB 4.29Å; A279-D297 PolarHBondContact N-O 3.35Å; F293-D297 WeakPolarHBondContact CA-OD2 3.17Å; F293-D297 HydrophobicContact CB-CB 4.16Å; K294-D297 PolarHBondContact N-OD2 3.27Å; K294-D297 VanDerWaalsContact O-CB 3.32Å; K294-D297 WeakPolarHBondContact O-CB 3.25Å; K294-D297 PolarHBondContact O-N 3.49Å; D297-V314 HydrophobicContact CB-CG1 4.3Å; D297-R316 VanDerWaalsContact CG-NE 3.27Å; D297-R316 VanDerWaalsContact OD1-CD 3.28Å; D297-R316 WeakPolarHBondContact OD1-CD 3.4Å; D297-R316 IonicContact OD1-CZ 3.93Å; D297-R316 IonicContact OD1-NE 2.86Å; D297-R316 PolarHBondContact OD1-NE 2.93Å; D297-R316 IonicContact OD2-CZ 3.22Å; D297-R316 VanDerWaalsContact OD2-CZ 3.22Å; D297-R316 IonicContact OD2-NE 2.88Å; D297-R316 PolarHBondContact OD2-NE 3.27Å; D297-R316 IonicContact OD2-NH2 2.72Å; D297-R316 PolarHBondContact OD2-NH2 3.11Å
298	I	95.1	Very high	92.4	Very high	39 Å²	39	67.7 Å²	67.7	20%	0.2	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130	175.8	-60.1	175.5	0	0	0	109.3	T276 F277 V300 Q315 Y331	T276-I298 HydrophobicContact CG2-CG2 3.46Å; T276-I298 VanDerWaalsContact CG2-CG2 3.46Å; F277-I298 CarbonylContact O-C 3.57Å; F277-I298 WeakPolarHBondContact O-CA 3.32Å; I298-V300 HydrophobicContact CG2-CG1 4.13Å; I298-Q315 HydrophobicContact CB-CB 4.18Å; I298-Q315 VanDerWaalsContact O-CB 3.27Å; I298-Q315 WeakPolarHBondContact O-CB 3.46Å; I298-Q315 PolarHBondContact O-N 3.19Å; I298-Y331 HydrophobicContact CD1-CE2 4.1Å; I298-Y331 HydrophobicContact CG1-CE2 4.31Å
299	I	95	Very high	92.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.9	175.7	-51.1	-65.2	0	0	0	107.7	T276 F277 F293 T313 V314 L323 V328	T276-I299 CarbonylContact C-O 3.55Å; T276-I299 WeakPolarHBondContact CA-O 3.12Å; F277-I299 HydrophobicContact CB-CB 4.21Å; F277-I299 PolarHBondContact N-O 2.8Å; F277-I299 PolarHBondContact O-N 3.26Å; F293-I299 HydrophobicContact CB-CD1 4.43Å; F293-I299 HydrophobicContact CG-CD1 4.44Å; I299-T313 WeakPolarHBondContact CA-O 3.21Å; I299-V314 HydrophobicContact CD1-CB 4.15Å; I299-V314 HydrophobicContact CD1-CG1 4.38Å; I299-V314 HydrophobicContact CD1-CG2 3.62Å; I299-L323 HydrophobicContact CD1-CD2 4.43Å; I299-L323 HydrophobicContact CG2-CD2 3.85Å; I299-V328 HydrophobicContact CG1-CG1 4.07Å
300	V	94.4	Very high	92.6	Very high	37 Å²	37	59.7 Å²	59.7	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	155.6	177.9	-60.2	0	0	0	0	110.6	T276 I298 G302 T313	T276-V300 HydrophobicContact CG2-CG1 4.39Å; I298-V300 HydrophobicContact CG2-CG1 4.13Å; V300-G302 VanDerWaalsContact C-N 3.3Å; V300-G302 PolarHBondContact O-N 2.91Å; V300-T313 HydrophobicContact CG2-CG2 4.41Å; V300-T313 PolarHBondContact N-O 3.03Å; V300-T313 PolarHBondContact O-N 2.93Å
301	N	90.2	Very high	92.5	Very high	107 Å²	107	62.6 Å²	62.6	57%	0.572	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.1	43.7	-179.2	-53.9	-24.5	0	0	0	112.2	E303	N301-E303 PolarHBondContact O-N 2.87Å
302	G	89.2	Confident	92.5	Very high	5 Å²	5	62.5 Å²	62.5	5%	0.052	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.5	-179.9	0	0	0	0	0	111.7	G275 V300 Y311	G275-G302 PolarHBondContact N-O 2.98Å; G275-G302 PolarHBondContact O-N 3.1Å; V300-G302 VanDerWaalsContact C-N 3.3Å; V300-G302 PolarHBondContact O-N 2.91Å; G302-Y311 VanDerWaalsContact CA-O 3.24Å; G302-Y311 WeakPolarHBondContact CA-O 3.1Å
303	E	90.5	Very high	92.5	Very high	129 Å²	129	61.2 Å²	61.2	60%	0.603	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.3	179.9	-173.4	176.3	-177.5	0	0	110.4	N301 M310 Y311	N301-E303 PolarHBondContact O-N 2.87Å; E303-M310 CarbonylContact O-C 3.46Å; E303-M310 VanDerWaalsContact O-CA 3.29Å; E303-M310 WeakPolarHBondContact O-CA 3.46Å; E303-M310 VanDerWaalsContact O-CB 3.32Å; E303-M310 WeakPolarHBondContact O-CB 3.17Å; E303-Y311 PolarHBondContact N-O 3.48Å; E303-Y311 PolarHBondContact O-N 2.87Å
304	P	89.1	Confident	92.4	Very high	99 Å²	99	61.1 Å²	61.1	64%	0.643	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.7	178.8	28.8	-33.8	0	0	0	111.2
305	I	87.3	Confident	92.4	Very high	68 Å²	68	60.1 Å²	60.1	35%	0.349	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-56	179.5	-50.6	163.2	0	0	0	109.4	W309 Y311 M322	I305-W309 PolarHBondContact N-O 3.07Å; I305-Y311 HydrophobicContact CD1-CD1 3.94Å; I305-Y311 HydrophobicContact CD1-CD2 3.31Å; I305-Y311 HydrophobicContact CD1-CE1 3.88Å; I305-Y311 HydrophobicContact CD1-CE2 3.21Å; I305-Y311 HydrophobicContact CD1-CG 3.65Å; I305-Y311 VanDerWaalsContact CD1-CZ 3.49Å; I305-Y311 HydrophobicContact CG1-CD2 3.29Å; I305-Y311 HydrophobicContact CG1-CE2 3.41Å; I305-Y311 VanDerWaalsContact CG1-CE2 3.41Å; I305-Y311 HydrophobicContact CG1-CG 3.99Å; I305-Y311 HydrophobicContact CG2-CE2 4.41Å; I305-M322 HydrophobicContact CD1-CE 3.96Å; I305-M322 HydrophobicContact CD1-CG 3.87Å; I305-M322 HydrophobicContact CD1-SD 4.24Å
306	T	84.9	Confident	92.3	Very high	86 Å²	86	62.2 Å²	62.2	53%	0.528	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	174.2	179.7	61.9	0	0	0	0	109.3	G308 W309	T306-G308 PolarHBondContact O-N 3.38Å; T306-G308 VanDerWaalsContact O-N 3.12Å; T306-W309 PolarHBondContact N-O 3.1Å; T306-W309 PolarHBondContact O-N 3.17Å; T306-W309 VanDerWaalsContact O-N 3.13Å
307	E	85.9	Confident	92.2	Very high	195 Å²	195	62.6 Å²	62.6	91%	0.911	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	120.2	171.3	-165.8	173.4	-175.3	0	0	110.1
308	G	90.1	Very high	92.1	Very high	22 Å²	22	64.3 Å²	64.3	23%	0.227	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-8.5	-179.6	0	0	0	0	0	116.7	T306 P324 S325	T306-G308 PolarHBondContact O-N 3.38Å; T306-G308 VanDerWaalsContact O-N 3.12Å; G308-P324 CarbonylContact O-C 3.54Å; G308-P324 VanDerWaalsContact O-CA 3.31Å; G308-P324 WeakPolarHBondContact O-CA 3.26Å; G308-S325 PolarHBondContact O-N 3Å
309	W	93.9	Very high	92	Very high	79 Å²	79	68.7 Å²	68.7	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.9	-179.3	-68.4	95	0	0	0	113	E290 I305 T306 M322 P324 S325	E290-W309 HydrophobicContact CG-CZ3 4.33Å; E290-W309 VanDerWaalsContact OE1-CH2 3.28Å; E290-W309 WeakPolarHBondContact OE1-CH2 3.48Å; I305-W309 PolarHBondContact N-O 3.07Å; T306-W309 PolarHBondContact N-O 3.1Å; T306-W309 PolarHBondContact O-N 3.17Å; T306-W309 VanDerWaalsContact O-N 3.13Å; W309-M322 HydrophobicContact CB-CE 4.39Å; W309-M322 HydrophobicContact CD2-CE 4.28Å; W309-M322 HydrophobicContact CE3-CB 4.26Å; W309-M322 HydrophobicContact CE3-CE 4.1Å; W309-M322 HydrophobicContact CG-CE 4.42Å; W309-M322 HydrophobicContact CZ3-CB 4.45Å; W309-P324 HydrophobicContact CH2-CG 4.26Å; W309-P324 HydrophobicContact CZ3-CG 4.06Å; W309-S325 PolarHBondContact N-OG 3.48Å; W309-S325 PolarHBondContact O-OG 3.26Å
310	M	94.5	Very high	91.9	Very high	12 Å²	12	75 Å²	75	6%	0.059	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.7	174.5	65.6	170.3	69.9	0	0	111.4	F277 E303 M322 L323 S325 V328	F277-M310 HydrophobicContact CD1-CE 4.29Å; F277-M310 HydrophobicContact CD1-SD 4.5Å; F277-M310 HydrophobicContact CD2-SD 4.36Å; F277-M310 HydrophobicContact CE1-CE 3.99Å; F277-M310 HydrophobicContact CE2-SD 4.37Å; F277-M310 HydrophobicContact CG-SD 4.44Å; F277-M310 HydrophobicContact CZ-CE 4.24Å; F277-M310 HydrophobicContact CZ-SD 4.44Å; E303-M310 CarbonylContact O-C 3.46Å; E303-M310 VanDerWaalsContact O-CA 3.29Å; E303-M310 WeakPolarHBondContact O-CA 3.46Å; E303-M310 VanDerWaalsContact O-CB 3.32Å; E303-M310 WeakPolarHBondContact O-CB 3.17Å; M310-M322 WeakPolarHBondContact O-CA 3.34Å; M310-L323 HydrophobicContact CG-CD1 3.5Å; M310-L323 HydrophobicContact CG-CD2 4.4Å; M310-L323 HydrophobicContact CG-CG 3.71Å; M310-L323 PolarHBondContact N-O 2.91Å; M310-L323 PolarHBondContact O-N 2.91Å; M310-L323 HydrophobicContact SD-CD1 3.88Å; M310-S325 WeakPolarHBondContact CB-OG 3.16Å; M310-S325 WeakPolarHBondContact CE-OG 3.35Å; M310-S325 PolarHBondContact N-OG 3.39Å; M310-V328 HydrophobicContact CE-CG2 3.6Å; M310-V328 HydrophobicContact SD-CG2 3.61Å
311	Y	94.8	Very high	92	Very high	84 Å²	84	73.4 Å²	73.4	33%	0.329	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.4	163.9	-76.7	-61.9	0	0	0	110.1	G302 E303 I305 F320 G321 M322	G302-Y311 VanDerWaalsContact CA-O 3.24Å; G302-Y311 WeakPolarHBondContact CA-O 3.1Å; E303-Y311 PolarHBondContact N-O 3.48Å; E303-Y311 PolarHBondContact O-N 2.87Å; I305-Y311 HydrophobicContact CD1-CD1 3.94Å; I305-Y311 HydrophobicContact CD1-CD2 3.31Å; I305-Y311 HydrophobicContact CD1-CE1 3.88Å; I305-Y311 HydrophobicContact CD1-CE2 3.21Å; I305-Y311 HydrophobicContact CD1-CG 3.65Å; I305-Y311 VanDerWaalsContact CD1-CZ 3.49Å; I305-Y311 HydrophobicContact CG1-CD2 3.29Å; I305-Y311 HydrophobicContact CG1-CE2 3.41Å; I305-Y311 VanDerWaalsContact CG1-CE2 3.41Å; I305-Y311 HydrophobicContact CG1-CG 3.99Å; I305-Y311 HydrophobicContact CG2-CE2 4.41Å; Y311-F320 HydrophobicContact CD1-CE1 4.04Å; Y311-F320 HydrophobicContact CD1-CE2 4.35Å; Y311-F320 AromaticContact CD1-CZ 3.64Å; Y311-F320 HydrophobicContact CD1-CZ 3.64Å; Y311-F320 HydrophobicContact CE1-CE1 4.43Å; Y311-F320 HydrophobicContact CE1-CZ 4.37Å; Y311-F320 HydrophobicContact CG-CE2 4.37Å; Y311-F320 AromaticContact CG-CZ 3.83Å; Y311-F320 HydrophobicContact CG-CZ 3.83Å; Y311-G321 WeakPolarHBondContact CA-O 3.45Å; Y311-M322 HydrophobicContact CD1-CG 3.81Å; Y311-M322 HydrophobicContact CE1-CB 4.47Å; Y311-M322 HydrophobicContact CE1-CG 3.26Å; Y311-M322 HydrophobicContact CE1-SD 4.19Å
312	G	94.3	Very high	92.2	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	165.5	169.1	0	0	0	0	0	112.6	F320 G321	G312-F320 WeakPolarHBondContact O-CA 3.24Å; G312-G321 PolarHBondContact N-O 3.48Å; G312-G321 PolarHBondContact O-N 2.79Å
313	T	95.5	Very high	92.5	Very high	32 Å²	32	69.8 Å²	69.8	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.6	173	-50.5	0	0	0	0	109.5	I299 V300 Q315 K319	I299-T313 WeakPolarHBondContact CA-O 3.21Å; V300-T313 HydrophobicContact CG2-CG2 4.41Å; V300-T313 PolarHBondContact N-O 3.03Å; V300-T313 PolarHBondContact O-N 2.93Å; T313-Q315 PolarHBondContact O-N 3.41Å; T313-K319 WeakPolarHBondContact CA-O 3.39Å
314	V	95.8	Very high	92.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	113.7	175.8	-176.6	0	0	0	0	108.8	V291 F293 D297 I299 R316 T317 G318 K319	V291-V314 HydrophobicContact CB-CG2 3.77Å; V291-V314 HydrophobicContact CG1-CG2 4.37Å; V291-V314 HydrophobicContact CG2-CG2 3.83Å; F293-V314 HydrophobicContact CB-CG1 4.12Å; F293-V314 HydrophobicContact CB-CG2 4.07Å; D297-V314 HydrophobicContact CB-CG1 4.3Å; I299-V314 HydrophobicContact CD1-CB 4.15Å; I299-V314 HydrophobicContact CD1-CG1 4.38Å; I299-V314 HydrophobicContact CD1-CG2 3.62Å; V314-R316 HydrophobicContact CG1-CB 4.32Å; V314-R316 PolarHBondContact O-N 2.85Å; V314-T317 WeakPolarHBondContact CB-OG1 3.3Å; V314-T317 HydrophobicContact CG1-CG2 4.42Å; V314-T317 PolarHBondContact O-N 3.34Å; V314-G318 WeakPolarHBondContact O-CA 3.46Å; V314-G318 PolarHBondContact O-N 3.01Å; V314-K319 PolarHBondContact N-O 2.86Å
315	Q	93.9	Very high	93	Very high	120 Å²	120	60.7 Å²	60.7	56%	0.561	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.1	-175.7	-169.5	175.5	31.1	0	0	112.6	I298 T313	I298-Q315 HydrophobicContact CB-CB 4.18Å; I298-Q315 VanDerWaalsContact O-CB 3.27Å; I298-Q315 WeakPolarHBondContact O-CB 3.46Å; I298-Q315 PolarHBondContact O-N 3.19Å; T313-Q315 PolarHBondContact O-N 3.41Å
316	R	93.8	Very high	93.3	Very high	126 Å²	126	63.6 Å²	63.6	48%	0.475	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.8	179.8	-177	179.8	54.9	68.2	10	113.4	D297 V314	D297-R316 VanDerWaalsContact CG-NE 3.27Å; D297-R316 VanDerWaalsContact OD1-CD 3.28Å; D297-R316 WeakPolarHBondContact OD1-CD 3.4Å; D297-R316 IonicContact OD1-CZ 3.93Å; D297-R316 IonicContact OD1-NE 2.86Å; D297-R316 PolarHBondContact OD1-NE 2.93Å; D297-R316 IonicContact OD2-CZ 3.22Å; D297-R316 VanDerWaalsContact OD2-CZ 3.22Å; D297-R316 IonicContact OD2-NE 2.88Å; D297-R316 PolarHBondContact OD2-NE 3.27Å; D297-R316 IonicContact OD2-NH2 2.72Å; D297-R316 PolarHBondContact OD2-NH2 3.11Å; V314-R316 HydrophobicContact CG1-CB 4.32Å; V314-R316 PolarHBondContact O-N 2.85Å
317	T	93	Very high	93.8	Very high	56 Å²	56	63.7 Å²	63.7	34%	0.344	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-16.3	-175.3	62.1	0	0	0	0	113.2	V314 K319	V314-T317 WeakPolarHBondContact CB-OG1 3.3Å; V314-T317 HydrophobicContact CG1-CG2 4.42Å; V314-T317 PolarHBondContact O-N 3.34Å; T317-K319 PolarHBondContact O-N 3.28Å; T317-K319 PolarHBondContact OG1-N 3.22Å
318	G	92.9	Very high	94.2	Very high	55 Å²	55	55.1 Å²	55.1	57%	0.567	28%	0.276	S	S	*	.			trans	68.7	5	-171.4	0	0	0	0	0	114.1	V314	V314-G318 WeakPolarHBondContact O-CA 3.46Å; V314-G318 PolarHBondContact O-N 3.01Å
319	K	92.9	Very high	94.4	Very high	131 Å²	131	59.2 Å²	59.2	57%	0.57	29%	0.288	S	S	*	.			trans	-78.7	134.1	-179.8	-67.4	-170.1	174.5	-169.8	0	110.5	V291 T313 V314 T317	V291-K319 HydrophobicContact CG1-CB 4.11Å; T313-K319 WeakPolarHBondContact CA-O 3.39Å; V314-K319 PolarHBondContact N-O 2.86Å; T317-K319 PolarHBondContact O-N 3.28Å; T317-K319 PolarHBondContact OG1-N 3.22Å
320	F	94.2	Very high	94.2	Very high	132 Å²	132	59.6 Å²	59.6	58%	0.579	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.9	172.1	171.4	-93.7	0	0	0	109.7	V291 Y311 G312	V291-F320 VanDerWaalsContact CG1-C 3.42Å; Y311-F320 HydrophobicContact CD1-CE1 4.04Å; Y311-F320 HydrophobicContact CD1-CE2 4.35Å; Y311-F320 AromaticContact CD1-CZ 3.64Å; Y311-F320 HydrophobicContact CD1-CZ 3.64Å; Y311-F320 HydrophobicContact CE1-CE1 4.43Å; Y311-F320 HydrophobicContact CE1-CZ 4.37Å; Y311-F320 HydrophobicContact CG-CE2 4.37Å; Y311-F320 AromaticContact CG-CZ 3.83Å; Y311-F320 HydrophobicContact CG-CZ 3.83Å; G312-F320 WeakPolarHBondContact O-CA 3.24Å
321	G	94.9	Very high	93.8	Very high	4 Å²	4	65.3 Å²	65.3	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-167.5	175.5	0	0	0	0	0	112.3	D289 V291 Y311 G312	D289-G321 CarbonylContact O-C 3.52Å; D289-G321 WeakPolarHBondContact O-CA 3.15Å; V291-G321 VanDerWaalsContact CG1-N 3.26Å; Y311-G321 WeakPolarHBondContact CA-O 3.45Å; G312-G321 PolarHBondContact N-O 3.48Å; G312-G321 PolarHBondContact O-N 2.79Å
322	M	95.8	Very high	92.9	Very high	36 Å²	36	75.5 Å²	75.5	18%	0.177	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.3	-178.9	-64.7	-176.3	55.2	0	0	111.3	D289 E290 V291 I305 W309 M310 Y311	D289-M322 PolarHBondContact O-N 2.89Å; E290-M322 CarbonylContact C-O 3.6Å; E290-M322 VanDerWaalsContact CA-O 3.27Å; E290-M322 WeakPolarHBondContact CA-O 3.41Å; E290-M322 HydrophobicContact CG-CB 4.41Å; V291-M322 PolarHBondContact N-O 3.27Å; I305-M322 HydrophobicContact CD1-CE 3.96Å; I305-M322 HydrophobicContact CD1-CG 3.87Å; I305-M322 HydrophobicContact CD1-SD 4.24Å; W309-M322 HydrophobicContact CB-CE 4.39Å; W309-M322 HydrophobicContact CD2-CE 4.28Å; W309-M322 HydrophobicContact CE3-CB 4.26Å; W309-M322 HydrophobicContact CE3-CE 4.1Å; W309-M322 HydrophobicContact CG-CE 4.42Å; W309-M322 HydrophobicContact CZ3-CB 4.45Å; M310-M322 WeakPolarHBondContact O-CA 3.34Å; Y311-M322 HydrophobicContact CD1-CG 3.81Å; Y311-M322 HydrophobicContact CE1-CB 4.47Å; Y311-M322 HydrophobicContact CE1-CG 3.26Å; Y311-M322 HydrophobicContact CE1-SD 4.19Å
323	L	95.4	Very high	92.8	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.8	172.9	59.3	114.8	0	0	0	111.7	V291 F293 I299 M310 S325 V328	V291-L323 HydrophobicContact CG2-CB 3.82Å; V291-L323 HydrophobicContact CG2-CD2 3.74Å; V291-L323 HydrophobicContact CG2-CG 4.43Å; F293-L323 HydrophobicContact CD1-CB 4.47Å; F293-L323 HydrophobicContact CE1-CB 3.63Å; F293-L323 HydrophobicContact CZ-CB 4.32Å; I299-L323 HydrophobicContact CD1-CD2 4.43Å; I299-L323 HydrophobicContact CG2-CD2 3.85Å; M310-L323 HydrophobicContact CG-CD1 3.5Å; M310-L323 HydrophobicContact CG-CD2 4.4Å; M310-L323 HydrophobicContact CG-CG 3.71Å; M310-L323 PolarHBondContact N-O 2.91Å; M310-L323 PolarHBondContact O-N 2.91Å; M310-L323 HydrophobicContact SD-CD1 3.88Å; L323-S325 PolarHBondContact O-N 3.38Å; L323-V328 HydrophobicContact CD1-CB 4.35Å; L323-V328 HydrophobicContact CD1-CG1 3.51Å; L323-V328 HydrophobicContact CD1-CG2 3.85Å
324	P	95.5	Very high	92.7	Very high	13 Å²	13	81.8 Å²	81.8	8%	0.084	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.3	174.6	-18	30.7	0	0	0	111	Y283 G308 W309 N326 Y327	Y283-P324 HydrophobicContact CD1-CG 4.49Å; Y283-P324 HydrophobicContact CD2-CG 3.99Å; Y283-P324 HydrophobicContact CE1-CG 4.21Å; Y283-P324 HydrophobicContact CE2-CG 3.66Å; Y283-P324 HydrophobicContact CG-CG 4.39Å; G308-P324 CarbonylContact O-C 3.54Å; G308-P324 VanDerWaalsContact O-CA 3.31Å; G308-P324 WeakPolarHBondContact O-CA 3.26Å; W309-P324 HydrophobicContact CH2-CG 4.26Å; W309-P324 HydrophobicContact CZ3-CG 4.06Å; P324-N326 PolarHBondContact O-N 3.21Å; P324-N326 VanDerWaalsContact O-N 3.14Å; P324-Y327 HydrophobicContact CB-CD2 3.65Å; P324-Y327 HydrophobicContact CB-CE2 4.19Å; P324-Y327 HydrophobicContact CB-CG 4.28Å; P324-Y327 HydrophobicContact CG-CD2 4.18Å; P324-Y327 HydrophobicContact CG-CE2 4.48Å; P324-Y327 PolarHBondContact O-N 2.99Å
325	S	93.3	Very high	92.5	Very high	24 Å²	24	86.3 Å²	86.3	17%	0.168	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.6	-179.8	-60	0	0	0	0	113.1	G308 W309 M310 L323 Y327 V328	G308-S325 PolarHBondContact O-N 3Å; W309-S325 PolarHBondContact N-OG 3.48Å; W309-S325 PolarHBondContact O-OG 3.26Å; M310-S325 WeakPolarHBondContact CB-OG 3.16Å; M310-S325 WeakPolarHBondContact CE-OG 3.35Å; M310-S325 PolarHBondContact N-OG 3.39Å; L323-S325 PolarHBondContact O-N 3.38Å; S325-Y327 PolarHBondContact O-N 3.01Å; S325-V328 WeakPolarHBondContact O-CG2 3.49Å; S325-V328 PolarHBondContact O-N 2.84Å
326	N	94.3	Very high	92.4	Very high	129 Å²	129	84.4 Å²	84.4	69%	0.69	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-73.2	-12.7	179	-66.8	-25.1	0	0	0	113.8	P324	P324-N326 PolarHBondContact O-N 3.21Å; P324-N326 VanDerWaalsContact O-N 3.14Å
327	Y	95.2	Very high	92.3	Very high	88 Å²	88	81.8 Å²	81.8	35%	0.345	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-92.7	-6	-179.3	-80.1	-121.1	0	0	0	112.2	A279 Q280 Y283 F293 P324 S325	A279-Y327 CarbonylContact C-O 3.49Å; Q280-Y327 PolarHBondContact N-O 2.78Å; Y283-Y327 HydrophobicContact CD2-CD1 4.23Å; Y283-Y327 AromaticContact CD2-CE1 3.95Å; Y283-Y327 HydrophobicContact CD2-CE1 3.95Å; Y283-Y327 HydrophobicContact CG-CD1 4.49Å; F293-Y327 HydrophobicContact CZ-CD1 4.49Å; F293-Y327 HydrophobicContact CZ-CG 4.47Å; P324-Y327 HydrophobicContact CB-CD2 3.65Å; P324-Y327 HydrophobicContact CB-CE2 4.19Å; P324-Y327 HydrophobicContact CB-CG 4.28Å; P324-Y327 HydrophobicContact CG-CD2 4.18Å; P324-Y327 HydrophobicContact CG-CE2 4.48Å; P324-Y327 PolarHBondContact O-N 2.99Å; S325-Y327 PolarHBondContact O-N 3.01Å
328	V	94.4	Very high	92.3	Very high	14 Å²	14	83.5 Å²	83.5	9%	0.085	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.2	-176.2	-61	0	0	0	0	111	F277 V278 F293 I299 M310 L323 S325	F277-V328 HydrophobicContact CB-CB 4.02Å; F277-V328 HydrophobicContact CB-CG2 4.25Å; F277-V328 HydrophobicContact CD1-CG2 4.19Å; F277-V328 HydrophobicContact CG-CG2 4.39Å; V278-V328 CarbonylContact O-C 3.58Å; V278-V328 WeakPolarHBondContact O-CA 3.36Å; F293-V328 HydrophobicContact CE2-CG1 4.43Å; F293-V328 HydrophobicContact CZ-CG1 4.43Å; I299-V328 HydrophobicContact CG1-CG1 4.07Å; M310-V328 HydrophobicContact CE-CG2 3.6Å; M310-V328 HydrophobicContact SD-CG2 3.61Å; L323-V328 HydrophobicContact CD1-CB 4.35Å; L323-V328 HydrophobicContact CD1-CG1 3.51Å; L323-V328 HydrophobicContact CD1-CG2 3.85Å; S325-V328 WeakPolarHBondContact O-CG2 3.49Å; S325-V328 PolarHBondContact O-N 2.84Å
329	K	93.2	Very high	92.2	Very high	108 Å²	108	85.5 Å²	85.5	47%	0.47	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.1	173	64.1	178.4	-177.5	175.9	0	109.9	F277 V278 Y331	F277-K329 CarbonylContact C-O 3.58Å; F277-K329 WeakPolarHBondContact CA-O 3.44Å; F277-K329 WeakPolarHBondContact CB-O 3.42Å; V278-K329 HydrophobicContact CG1-CD 4.05Å; V278-K329 HydrophobicContact CG1-CG 3.46Å; V278-K329 VanDerWaalsContact CG1-CG 3.46Å; V278-K329 PolarHBondContact N-O 3.15Å; V278-K329 PolarHBondContact O-N 3.48Å; K329-Y331 PolarHBondContact O-N 3.42Å
330	P	91.5	Very high	92.2	Very high	87 Å²	87	82 Å²	82	57%	0.565	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	131.7	173.9	-25.7	34.4	0	0	0	111.5	F277 R332	F277-P330 HydrophobicContact CD1-CG 4.28Å; F277-P330 HydrophobicContact CE1-CG 4.1Å; P330-R332 PolarHBondContact O-N 3.02Å
331	Y	85.4	Confident	92	Very high	132 Å²	132	77.8 Å²	77.8	52%	0.518	36%	0.356	S	S	.	.			trans	-79.3	106.6	174.4	-169.1	-105.3	0	0	0	107.6	T276 V278 I298 K329	T276-Y331 HydrophobicContact CG2-CD1 3.89Å; T276-Y331 HydrophobicContact CG2-CG 3.96Å; T276-Y331 VanDerWaalsContact O-CB 3.31Å; T276-Y331 WeakPolarHBondContact O-CB 3.45Å; T276-Y331 PolarHBondContact O-N 3.5Å; V278-Y331 HydrophobicContact CB-CD2 3.98Å; V278-Y331 HydrophobicContact CG1-CD2 4.19Å; I298-Y331 HydrophobicContact CD1-CE2 4.1Å; I298-Y331 HydrophobicContact CG1-CE2 4.31Å; K329-Y331 PolarHBondContact O-N 3.42Å
332	R	75.2	Confident	91.8	Very high	299 Å²	299	84.5 Å²	84.5	100%	1.128	39%	0.385	S	S	*	.			trans	-99	0	174	-75.4	-171.7	178.5	171.6	0.1	110.1	P330	P330-R332 PolarHBondContact O-N 3.02Å

Retrieved 332 of 332 residues in 52.2 ms (Link to these results)

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