A0A5K4F884_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F884, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>A0A5K4F884_SCHMA|A0A5K4F884
MTLVSKLHSYRIYNSKENLMFHTVIVIIKQTSHGSNFNCKYTKSCQPFGMSIIHTYKKPSSNYEVDVFISQKTDSVEKIHFLMTNDESDMNKEHKLYRTFFRIN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	61.4	Low	147 Å²	147	85 Å²	85	72%	0.724	44%	0.444	S	S	*	.				0	113.9	0	-173.6	166.1	-176.6	0	0	107.3	L3 S70 K78 H80	M1-L3 PolarHBondContact O-N 2.79Å; M1-S70 VanDerWaalsContact CE-CB 3.48Å; M1-S70 WeakPolarHBondContact CE-OG 3.34Å; M1-K78 HydrophobicContact CE-CD 3.83Å; M1-H80 WeakPolarHBondContact CE-CE1 3.32Å; M1-H80 WeakPolarHBondContact CE-NE2 3.42Å
2	T	53.6	Low	61.7	Low	121 Å²	121	78.4 Å²	78.4	74%	0.742	41%	0.41	S	S	*	.			trans	-77.4	122.2	-177.2	-46.2	0	0	0	0	109	V4	T2-V4 PolarHBondContact O-N 3.05Å
3	L	56.4	Low	61.8	Low	88 Å²	88	80.8 Å²	80.8	46%	0.461	41%	0.411	S	S	.	.			trans	-75.3	120.5	171.4	-67	168.8	0	0	0	107.3	M1 F68	M1-L3 PolarHBondContact O-N 2.79Å; L3-F68 HydrophobicContact CB-CD1 4.36Å; L3-F68 HydrophobicContact CD1-CD1 4.19Å; L3-F68 HydrophobicContact CD1-CE1 4.24Å; L3-F68 HydrophobicContact CD1-CG 4.42Å; L3-F68 HydrophobicContact CD2-CB 3.81Å; L3-F68 HydrophobicContact CD2-CD1 4.33Å; L3-F68 HydrophobicContact CD2-CD2 4.41Å; L3-F68 HydrophobicContact CD2-CG 3.96Å
4	V	56.7	Low	61.5	Low	81 Å²	81	80.8 Å²	80.8	49%	0.491	41%	0.413	S	S	.	.			trans	-75.5	-47.8	-173.8	173.1	0	0	0	0	110.2	T2 I69 S70	T2-V4 PolarHBondContact O-N 3.05Å; V4-I69 WeakPolarHBondContact CA-O 3.32Å; V4-I69 VanDerWaalsContact CB-O 3.25Å; V4-I69 WeakPolarHBondContact CB-O 2.79Å; V4-I69 PolarHBondContact N-O 3.16Å; V4-S70 VanDerWaalsContact CG2-O 3.23Å; V4-S70 WeakPolarHBondContact CG2-O 3.39Å
5	S	65.8	Low	60.8	Low	68 Å²	68	78.5 Å²	78.5	48%	0.476	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	144.7	178.6	-67.2	0	0	0	0	110.7	F68 I69	S5-F68 CarbonylContact O-C 3.43Å; S5-F68 VanDerWaalsContact O-CA 3.31Å; S5-F68 WeakPolarHBondContact O-CA 3.25Å; S5-I69 PolarHBondContact N-O 3.11Å; S5-I69 PolarHBondContact O-N 2.82Å
6	K	70	Confident	60.2	Low	101 Å²	101	87.3 Å²	87.3	44%	0.439	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.9	166.8	-172.7	166.6	170.7	166.2	0	108.3	S9 D66 V67 F68	K6-S9 WeakPolarHBondContact CE-OG 3.2Å; K6-S9 PolarHBondContact NZ-OG 2.9Å; K6-D66 WeakPolarHBondContact CE-OD1 3.08Å; K6-D66 WeakPolarHBondContact CE-OD2 3.28Å; K6-D66 IonicContact NZ-OD1 2.73Å; K6-D66 PolarHBondContact NZ-OD1 2.81Å; K6-D66 IonicContact NZ-OD2 2.78Å; K6-D66 PolarHBondContact NZ-OD2 2.79Å; K6-V67 CarbonylContact C-O 3.51Å; K6-F68 HydrophobicContact CB-CD1 3.78Å; K6-F68 HydrophobicContact CB-CE1 3.67Å; K6-F68 HydrophobicContact CD-CE1 3.92Å; K6-F68 HydrophobicContact CD-CZ 4.18Å; K6-F68 HydrophobicContact CG-CD1 4.18Å; K6-F68 HydrophobicContact CG-CE1 3.84Å; K6-F68 HydrophobicContact CG-CZ 4.34Å
7	L	65.7	Low	59.4	Low	66 Å²	66	91.9 Å²	91.9	35%	0.346	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-46.3	177.1	-75.6	179.5	0	0	0	111.6	V67 I69	L7-V67 HydrophobicContact CB-CB 4.45Å; L7-V67 HydrophobicContact CB-CG1 4.42Å; L7-V67 HydrophobicContact CD1-CG1 4.19Å; L7-V67 PolarHBondContact N-O 3.47Å; L7-I69 HydrophobicContact CD1-CD1 3.72Å; L7-I69 HydrophobicContact CD1-CG1 3.55Å; L7-I69 HydrophobicContact CD2-CD1 3.64Å; L7-I69 HydrophobicContact CD2-CG1 4.14Å; L7-I69 HydrophobicContact CG-CD1 3.85Å; L7-I69 HydrophobicContact CG-CG1 3.76Å
8	H	65.7	Low	58.5	Low	81 Å²	81	90.1 Å²	90.1	38%	0.375	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	156	-171.7	-158.2	72.9	0	0	0	111.6	I27 V67	H8-I27 HydrophobicContact CB-CD1 3.95Å; H8-I27 HydrophobicContact CB-CG1 4.31Å; H8-I27 HydrophobicContact CB-CG2 4.38Å; H8-I27 WeakPolarHBondContact CD2-CD1 2.97Å; H8-V67 PolarHBondContact N-O 3.48Å; H8-V67 PolarHBondContact O-N 2.9Å
9	S	64.7	Low	57.8	Low	45 Å²	45	92.4 Å²	92.4	32%	0.315	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.1	165.9	-67	0	0	0	0	109.6	K6 V65 D66	K6-S9 WeakPolarHBondContact CE-OG 3.2Å; K6-S9 PolarHBondContact NZ-OG 2.9Å; S9-V65 WeakPolarHBondContact CA-O 2.97Å; S9-D66 WeakPolarHBondContact CB-OD1 3.43Å; S9-D66 PolarHBondContact OG-OD1 2.83Å
10	Y	66.5	Low	57.1	Low	13 Å²	13	89.7 Å²	89.7	5%	0.051	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.3	168.1	61.6	-84.2	0	0	0	110.3	I12 M20 V24 I27 I53 V65 V67	Y10-I12 HydrophobicContact CD2-CG1 3.94Å; Y10-I12 HydrophobicContact CE2-CD1 3.9Å; Y10-I12 HydrophobicContact CE2-CG1 3.73Å; Y10-M20 HydrophobicContact CD2-SD 4.14Å; Y10-V24 HydrophobicContact CE1-CG2 4.12Å; Y10-V24 HydrophobicContact CE2-CG2 4.1Å; Y10-V24 VanDerWaalsContact OH-CG2 3.31Å; Y10-V24 WeakPolarHBondContact OH-CG2 3.49Å; Y10-I27 HydrophobicContact CD1-CD1 4.12Å; Y10-I27 HydrophobicContact CE1-CD1 4.45Å; Y10-I53 HydrophobicContact CE2-CD1 4.28Å; Y10-V65 HydrophobicContact CD1-CB 4.2Å; Y10-V65 HydrophobicContact CD2-CB 4.24Å; Y10-V65 HydrophobicContact CD2-CG2 4.42Å; Y10-V65 HydrophobicContact CE1-CB 3.73Å; Y10-V65 HydrophobicContact CE1-CG1 3.75Å; Y10-V65 HydrophobicContact CE2-CB 3.78Å; Y10-V65 HydrophobicContact CE2-CG1 4.34Å; Y10-V65 HydrophobicContact CE2-CG2 3.83Å; Y10-V65 HydrophobicContact CG-CB 4.43Å; Y10-V65 VanDerWaalsContact CZ-CB 3.49Å; Y10-V65 PolarHBondContact N-O 3.19Å; Y10-V65 PolarHBondContact O-N 3.38Å; Y10-V65 WeakPolarHBondContact OH-CG1 3.22Å; Y10-V67 HydrophobicContact CD1-CG2 4.48Å; Y10-V67 HydrophobicContact CE1-CG2 3.92Å
11	R	64.3	Low	56.5	Low	124 Å²	124	90.4 Å²	90.4	47%	0.468	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.6	179.7	-71.7	-178.8	173.7	168.8	-3.5	109.9	Y13 M20 Y63	R11-Y13 HydrophobicContact CB-CE1 4.3Å; R11-Y13 HydrophobicContact CB-CE2 3.86Å; R11-Y13 WeakPolarHBondContact CD-OH 3.34Å; R11-Y13 PolarHBondContact O-N 2.79Å; R11-M20 WeakPolarHBondContact O-CE 3.22Å; R11-Y63 CarbonylContact C-O 3.49Å; R11-Y63 WeakPolarHBondContact CA-O 3.07Å
12	I	64.8	Low	56.3	Low	6 Å²	6	89.1 Å²	89.1	3%	0.031	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.3	173	-56.9	166	0	0	0	107.6	Y10 I53 N62 Y63 V65 M83	Y10-I12 HydrophobicContact CD2-CG1 3.94Å; Y10-I12 HydrophobicContact CE2-CD1 3.9Å; Y10-I12 HydrophobicContact CE2-CG1 3.73Å; I12-I53 HydrophobicContact CD1-CD1 4.03Å; I12-I53 HydrophobicContact CD1-CG1 4.11Å; I12-I53 HydrophobicContact CD1-CG2 3.63Å; I12-N62 WeakPolarHBondContact O-CA 3.37Å; I12-Y63 PolarHBondContact N-O 2.06Å; I12-Y63 PolarHBondContact O-N 2.98Å; I12-V65 HydrophobicContact CD1-CG2 3.51Å; I12-V65 HydrophobicContact CG1-CG2 4.11Å; I12-M83 HydrophobicContact CD1-CE 4.18Å
13	Y	62.6	Low	55.9	Low	110 Å²	110	85.4 Å²	85.4	43%	0.431	42%	0.421	S	S	.	.			trans	-81.8	151.5	175.7	-56.4	-82.5	0	0	0	111.9	R11 S15 N18 M20 K57 N62	R11-Y13 HydrophobicContact CB-CE1 4.3Å; R11-Y13 HydrophobicContact CB-CE2 3.86Å; R11-Y13 WeakPolarHBondContact CD-OH 3.34Å; R11-Y13 PolarHBondContact O-N 2.79Å; Y13-S15 VanDerWaalsContact C-N 3.27Å; Y13-S15 PolarHBondContact O-N 3.26Å; Y13-N18 VanDerWaalsContact CB-ND2 3.32Å; Y13-N18 WeakPolarHBondContact CB-ND2 3.23Å; Y13-N18 PolarHBondContact O-ND2 2.93Å; Y13-M20 HydrophobicContact CD2-CE 4.21Å; Y13-M20 HydrophobicContact CE2-CE 4.44Å; Y13-K57 PolarHBondContact O-NZ 2.92Å; Y13-N62 WeakPolarHBondContact CA-OD1 3.4Å
14	N	58	Low	55.5	Low	80 Å²	80	81.6 Å²	81.6	43%	0.428	40%	0.402	S	S	.	.			trans	-71.3	79	171.8	-177.3	27.9	0	0	0	111.3	S60 N62	N14-S60 VanDerWaalsContact ND2-CA 3.3Å; N14-S60 WeakPolarHBondContact ND2-CA 3.4Å; N14-S60 PolarHBondContact ND2-O 2.9Å; N14-N62 PolarHBondContact N-OD1 2.78Å
15	S	51.7	Low	55	Low	46 Å²	46	81.4 Å²	81.4	32%	0.322	40%	0.397	S	S	.	.			trans	-119.9	139.8	154.9	77.3	0	0	0	0	108.5	Y13 E17 N18	Y13-S15 VanDerWaalsContact C-N 3.27Å; Y13-S15 PolarHBondContact O-N 3.26Å; S15-E17 PolarHBondContact O-N 3.08Å; S15-N18 PolarHBondContact O-N 3.41Å; S15-N18 VanDerWaalsContact OG-CA 3.22Å; S15-N18 WeakPolarHBondContact OG-CA 3.22Å; S15-N18 WeakPolarHBondContact OG-CB 3.14Å; S15-N18 PolarHBondContact OG-N 3.35Å; S15-N18 PolarHBondContact OG-ND2 3.4Å
16	K	50.6	Low	54	Low	219 Å²	219	80.7 Å²	80.7	95%	0.952	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.8	173.1	-74.6	-178	176.3	178.4	0	112.3
17	E	46.1	Very low	52.9	Low	166 Å²	166	77 Å²	77	78%	0.776	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	27.2	-175.3	-62.7	-176.9	139.5	0	0	112.4	S15 L19	S15-E17 PolarHBondContact O-N 3.08Å; E17-L19 PolarHBondContact O-N 3.25Å
18	N	43.8	Very low	52.2	Low	60 Å²	60	77.5 Å²	77.5	32%	0.321	38%	0.377	S	S	.	.			trans	-77.2	99.9	-172.7	-124.3	-30	0	0	0	112.3	Y13 S15 M20	Y13-N18 VanDerWaalsContact CB-ND2 3.32Å; Y13-N18 WeakPolarHBondContact CB-ND2 3.23Å; Y13-N18 PolarHBondContact O-ND2 2.93Å; S15-N18 PolarHBondContact O-N 3.41Å; S15-N18 VanDerWaalsContact OG-CA 3.22Å; S15-N18 WeakPolarHBondContact OG-CA 3.22Å; S15-N18 WeakPolarHBondContact OG-CB 3.14Å; S15-N18 PolarHBondContact OG-N 3.35Å; S15-N18 PolarHBondContact OG-ND2 3.4Å; N18-M20 PolarHBondContact O-N 3.45Å
19	L	44.6	Very low	51.1	Low	133 Å²	133	81.1 Å²	81.1	70%	0.696	39%	0.392	S	S	*	.			trans	-45.2	19.9	164.6	-91.8	106.6	0	0	0	116.9	E17 F21 H22	E17-L19 PolarHBondContact O-N 3.25Å; L19-F21 PolarHBondContact O-N 2.83Å; L19-H22 PolarHBondContact O-N 2.95Å
20	M	44	Very low	50.2	Low	39 Å²	39	86.4 Å²	86.4	19%	0.192	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-1.7	172.5	-75.7	-86.8	166.1	0	0	113.6	Y10 R11 Y13 N18 H22 T23	Y10-M20 HydrophobicContact CD2-SD 4.14Å; R11-M20 WeakPolarHBondContact O-CE 3.22Å; Y13-M20 HydrophobicContact CD2-CE 4.21Å; Y13-M20 HydrophobicContact CE2-CE 4.44Å; N18-M20 PolarHBondContact O-N 3.45Å; M20-H22 PolarHBondContact O-N 2.99Å; M20-T23 PolarHBondContact O-N 3.39Å
21	F	45.2	Very low	49.2	Very low	104 Å²	104	89.1 Å²	89.1	46%	0.456	43%	0.429	S	S	.	.	H	α-helix	trans	-55.5	-31.3	168.6	-162.4	-85	0	0	0	113.8	L19 I25 P47 M50	L19-F21 PolarHBondContact O-N 2.83Å; F21-I25 HydrophobicContact CD1-CD1 4.03Å; F21-I25 HydrophobicContact CE1-CD1 3.98Å; F21-I25 WeakPolarHBondContact O-CD1 3.5Å; F21-P47 HydrophobicContact CE1-CG 4.07Å; F21-P47 HydrophobicContact CE2-CG 4.34Å; F21-P47 HydrophobicContact CZ-CG 3.6Å; F21-M50 HydrophobicContact CD2-CG 3.79Å; F21-M50 HydrophobicContact CD2-SD 4.11Å; F21-M50 HydrophobicContact CE2-CG 3.24Å; F21-M50 HydrophobicContact CE2-SD 3.01Å; F21-M50 WeakPolarHBondContact CE2-SD 3.49Å; F21-M50 HydrophobicContact CZ-CG 3.81Å; F21-M50 HydrophobicContact CZ-SD 3.29Å; F21-M50 WeakPolarHBondContact CZ-SD 3.33Å
22	H	41.8	Very low	48	Very low	121 Å²	121	84.8 Å²	84.8	56%	0.56	42%	0.418	S	S	*	.	H	α-helix	trans	-80.4	-32.2	-176	-77.2	67.5	0	0	0	112.3	L19 M20 I25 V26	L19-H22 PolarHBondContact O-N 2.95Å; M20-H22 PolarHBondContact O-N 2.99Å; H22-I25 PolarHBondContact O-N 3.19Å; H22-V26 WeakPolarHBondContact O-CB 3.18Å; H22-V26 WeakPolarHBondContact O-CG2 3.11Å; H22-V26 PolarHBondContact O-N 3.16Å
23	T	44.5	Very low	46.8	Very low	43 Å²	43	94.1 Å²	94.1	26%	0.264	46%	0.461	S	S	.	.	H	α-helix	trans	-73.3	-39	-168.5	-40.7	0	0	0	0	112.9	M20 I25 V26 I27	M20-T23 PolarHBondContact O-N 3.39Å; T23-I25 VanDerWaalsContact C-N 3.29Å; T23-I25 PolarHBondContact O-N 3.41Å; T23-V26 PolarHBondContact O-N 3.49Å; T23-I27 HydrophobicContact CG2-CD1 4.15Å; T23-I27 WeakPolarHBondContact O-CD1 3.47Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 2.95Å
24	V	48.4	Very low	45.6	Very low	8 Å²	8	92.7 Å²	92.7	5%	0.048	48%	0.48	C	S	.	.	H	α-helix	trans	-66	-35.1	176.3	-177.1	0	0	0	0	111.3	Y10 I28 I53 F81	Y10-V24 HydrophobicContact CE1-CG2 4.12Å; Y10-V24 HydrophobicContact CE2-CG2 4.1Å; Y10-V24 VanDerWaalsContact OH-CG2 3.31Å; Y10-V24 WeakPolarHBondContact OH-CG2 3.49Å; V24-I28 WeakPolarHBondContact O-CG1 3.48Å; V24-I28 PolarHBondContact O-N 3.29Å; V24-I53 HydrophobicContact CG2-CD1 4.01Å; V24-F81 HydrophobicContact CG1-CE1 4.49Å
25	I	46.5	Very low	44.6	Very low	76 Å²	76	92.7 Å²	92.7	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-71.6	-36	175.6	-60.8	177.1	0	0	0	110.3	F21 H22 T23 K29 P47	F21-I25 HydrophobicContact CD1-CD1 4.03Å; F21-I25 HydrophobicContact CE1-CD1 3.98Å; F21-I25 WeakPolarHBondContact O-CD1 3.5Å; H22-I25 PolarHBondContact O-N 3.19Å; T23-I25 VanDerWaalsContact C-N 3.29Å; T23-I25 PolarHBondContact O-N 3.41Å; I25-K29 WeakPolarHBondContact O-CB 3.01Å; I25-K29 PolarHBondContact O-N 2.76Å; I25-K29 VanDerWaalsContact O-N 3.16Å; I25-P47 HydrophobicContact CD1-CB 4.36Å
26	V	44.3	Very low	43.8	Very low	53 Å²	53	98.2 Å²	98.2	32%	0.321	51%	0.512	S	S	.	.	H	α-helix	trans	-72.1	-35.5	178.4	171.9	0	0	0	0	112.8	H22 T23 I28 K29 Q30	H22-V26 WeakPolarHBondContact O-CB 3.18Å; H22-V26 WeakPolarHBondContact O-CG2 3.11Å; H22-V26 PolarHBondContact O-N 3.16Å; T23-V26 PolarHBondContact O-N 3.49Å; V26-I28 VanDerWaalsContact C-N 3.32Å; V26-I28 PolarHBondContact O-N 2.89Å; V26-K29 CarbonylContact O-C 3.46Å; V26-K29 WeakPolarHBondContact O-CA 3.29Å; V26-K29 WeakPolarHBondContact O-CB 3.35Å; V26-K29 PolarHBondContact O-N 2.78Å; V26-Q30 HydrophobicContact CG1-CG 4.01Å; V26-Q30 WeakPolarHBondContact O-CB 3.45Å; V26-Q30 PolarHBondContact O-N 2.78Å
27	I	48.4	Very low	43.2	Very low	23 Å²	23	95.9 Å²	95.9	12%	0.118	50%	0.502	C	S	.	.	H	α-helix	trans	-67.4	-33.8	177.5	-65.5	158.2	0	0	0	111.6	H8 Y10 T23 K29 T31	H8-I27 HydrophobicContact CB-CD1 3.95Å; H8-I27 HydrophobicContact CB-CG1 4.31Å; H8-I27 HydrophobicContact CB-CG2 4.38Å; H8-I27 WeakPolarHBondContact CD2-CD1 2.97Å; Y10-I27 HydrophobicContact CD1-CD1 4.12Å; Y10-I27 HydrophobicContact CE1-CD1 4.45Å; T23-I27 HydrophobicContact CG2-CD1 4.15Å; T23-I27 WeakPolarHBondContact O-CD1 3.47Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 2.95Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-T31 PolarHBondContact O-OG1 2.76Å
28	I	50.1	Low	42.7	Very low	77 Å²	77	93.7 Å²	93.7	40%	0.395	50%	0.496	S	S	.	.	H	α-helix	trans	-69.9	-31.3	170.4	-63	170.5	0	0	0	110.5	V24 V26	V24-I28 WeakPolarHBondContact O-CG1 3.48Å; V24-I28 PolarHBondContact O-N 3.29Å; V26-I28 VanDerWaalsContact C-N 3.32Å; V26-I28 PolarHBondContact O-N 2.89Å
29	K	43.3	Very low	42.4	Very low	158 Å²	158	94 Å²	94	69%	0.687	50%	0.502	S	S	*	.	H	α-helix	trans	-81.5	-28.1	-177.8	-159.7	175.1	-178.5	-178.3	0	114.6	I25 V26 I27	I25-K29 WeakPolarHBondContact O-CB 3.01Å; I25-K29 PolarHBondContact O-N 2.76Å; I25-K29 VanDerWaalsContact O-N 3.16Å; V26-K29 CarbonylContact O-C 3.46Å; V26-K29 WeakPolarHBondContact O-CA 3.29Å; V26-K29 WeakPolarHBondContact O-CB 3.35Å; V26-K29 PolarHBondContact O-N 2.78Å; I27-K29 VanDerWaalsContact C-N 3.3Å
30	Q	44	Very low	41.8	Very low	155 Å²	155	94.4 Å²	94.4	72%	0.724	50%	0.498	S	S	*	.	H	α-helix	trans	-96.9	-10.8	-172.2	-81.6	-175.3	-20.9	0	0	115.7	V26 S32	V26-Q30 HydrophobicContact CG1-CG 4.01Å; V26-Q30 WeakPolarHBondContact O-CB 3.45Å; V26-Q30 PolarHBondContact O-N 2.78Å; Q30-S32 VanDerWaalsContact C-N 3.27Å; Q30-S32 PolarHBondContact O-N 2.86Å
31	T	45.9	Very low	41.1	Very low	70 Å²	70	102.2 Å²	102.2	43%	0.429	53%	0.527	S	S	.	.	S	Bend	trans	-88.2	11.3	178.8	52.9	0	0	0	0	114.1	I27 R102	I27-T31 PolarHBondContact O-OG1 2.76Å; T31-R102 PolarHBondContact OG1-NH1 2.92Å
32	S	39.9	Very low	40.4	Very low	33 Å²	33	101.6 Å²	101.6	23%	0.231	53%	0.532	C	S	.	.			trans	-123.6	107.3	173.6	50.1	0	0	0	0	110.2	Q30 G34 S35	Q30-S32 VanDerWaalsContact C-N 3.27Å; Q30-S32 PolarHBondContact O-N 2.86Å; S32-G34 PolarHBondContact O-N 3.03Å; S32-S35 WeakPolarHBondContact CB-OG 3.35Å
33	H	39.4	Very low	40.1	Very low	202 Å²	202	105.4 Å²	105.4	94%	0.935	55%	0.547	S	S	*	.	S	Bend	trans	-57.8	103.8	156.6	-80.9	-88.2	0	0	0	107.4
34	G	37	Very low	39.7	Very low	81 Å²	81	106.8 Å²	106.8	84%	0.835	56%	0.558	S	S	*	*	S	Bend	trans	83.4	11.2	160.5	0	0	0	0	0	118.9	S32	S32-G34 PolarHBondContact O-N 3.03Å
35	S	37.8	Very low	39.1	Very low	80 Å²	80	108.7 Å²	108.7	56%	0.559	57%	0.571	S	S	*	*			trans	-93.1	108.1	179.4	-41	0	0	0	0	111.8	S32 F37	S32-S35 WeakPolarHBondContact CB-OG 3.35Å; S35-F37 PolarHBondContact O-N 3.38Å
36	N	35.6	Very low	38.7	Very low	161 Å²	161	112.6 Å²	112.6	86%	0.861	59%	0.588	S	S	*	*			trans	-57.4	97.8	168	-89.9	-30.1	0	0	0	110.6	N38	N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact O-N 2.74Å
37	F	37.6	Very low	38.7	Very low	171 Å²	171	111 Å²	111	75%	0.75	58%	0.579	S	S	*	*			trans	-71.7	87.8	168.5	-159.7	-98.7	0	0	0	109	S35 C39	S35-F37 PolarHBondContact O-N 3.38Å; F37-C39 VanDerWaalsContact C-N 3.33Å; F37-C39 VanDerWaalsContact CE1-SG 3.58Å; F37-C39 PolarHBondContact O-N 3.46Å
38	N	35.6	Very low	38.4	Very low	119 Å²	119	117 Å²	117	64%	0.636	60%	0.604	S	S	*	*			trans	-81.2	77	-178.5	-161.9	17.5	0	0	0	109.7	N36 K40	N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact O-N 2.74Å; N38-K40 PolarHBondContact O-N 3.35Å; N38-K40 VanDerWaalsContact OD1-CB 3.28Å; N38-K40 WeakPolarHBondContact OD1-CB 3.28Å; N38-K40 WeakPolarHBondContact OD1-CD 3.26Å; N38-K40 VanDerWaalsContact OD1-CG 3.25Å; N38-K40 WeakPolarHBondContact OD1-CG 3.21Å
39	C	37.6	Very low	37.9	Very low	66 Å²	66	113.8 Å²	113.8	45%	0.446	59%	0.591	S	S	.	*			trans	-68.6	66.6	161.9	-101.3	0	0	0	0	108.7	F37 C45	F37-C39 VanDerWaalsContact C-N 3.33Å; F37-C39 VanDerWaalsContact CE1-SG 3.58Å; F37-C39 PolarHBondContact O-N 3.46Å; C39-C45 HydrophobicContact CB-CB 4.04Å; C39-C45 WeakPolarHBondContact CB-SG 3.29Å; C39-C45 WeakPolarHBondContact SG-CB 3.24Å; C39-C45 CovalentContact SG-SG 2.06Å; C39-C45 PolarHBondContact SG-SG 2.56Å
40	K	30.4	Very low	37.7	Very low	143 Å²	143	110.4 Å²	110.4	62%	0.622	58%	0.578	S	S	*	*			trans	-91.1	-10.5	180	-121.4	-176.4	-177.8	179.2	0	113.9	N38	N38-K40 PolarHBondContact O-N 3.35Å; N38-K40 VanDerWaalsContact OD1-CB 3.28Å; N38-K40 WeakPolarHBondContact OD1-CB 3.28Å; N38-K40 WeakPolarHBondContact OD1-CD 3.26Å; N38-K40 VanDerWaalsContact OD1-CG 3.25Å; N38-K40 WeakPolarHBondContact OD1-CG 3.21Å
41	Y	31.1	Very low	37.6	Very low	202 Å²	202	107.1 Å²	107.1	79%	0.792	57%	0.572	S	S	*	*	S	Bend	trans	-147	99.8	-179	-64.9	-79.6	0	0	0	109.2
42	T	29.2	Very low	37.6	Very low	91 Å²	91	104.2 Å²	104.2	56%	0.558	55%	0.554	S	S	*	*			trans	153.5	135	137.2	52.8	0	0	0	0	109.4	S44 C45	T42-S44 WeakPolarHBondContact CB-OG 3.31Å; T42-S44 PolarHBondContact O-N 2.79Å; T42-S44 PolarHBondContact OG1-OG 2.72Å; T42-C45 PolarHBondContact O-N 2.85Å; T42-C45 VanDerWaalsContact O-N 3.11Å
43	K	34.8	Very low	38	Very low	201 Å²	201	104 Å²	104	87%	0.874	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-0.5	165	-74.1	177.8	173.9	178.1	0	113.1
44	S	36.9	Very low	38.4	Very low	73 Å²	73	102.6 Å²	102.6	51%	0.51	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.6	174.4	45.3	0	0	0	0	115.9	T42 Q46 F48	T42-S44 WeakPolarHBondContact CB-OG 3.31Å; T42-S44 PolarHBondContact O-N 2.79Å; T42-S44 PolarHBondContact OG1-OG 2.72Å; S44-Q46 PolarHBondContact O-N 3.14Å; S44-F48 WeakPolarHBondContact O-CE2 3.41Å
45	C	35.9	Very low	38.9	Very low	48 Å²	48	103.1 Å²	103.1	32%	0.324	53%	0.531	S	S	.	.			trans	-76	0.5	163.1	-71.6	0	0	0	0	112.9	C39 T42	C39-C45 HydrophobicContact CB-CB 4.04Å; C39-C45 WeakPolarHBondContact CB-SG 3.29Å; C39-C45 WeakPolarHBondContact SG-CB 3.24Å; C39-C45 CovalentContact SG-SG 2.06Å; C39-C45 PolarHBondContact SG-SG 2.56Å; T42-C45 PolarHBondContact O-N 2.85Å; T42-C45 VanDerWaalsContact O-N 3.11Å
46	Q	37.1	Very low	39.5	Very low	157 Å²	157	106.4 Å²	106.4	73%	0.734	53%	0.532	S	S	*	.	S	Bend	trans	-65.7	138.8	166.7	-72.6	-172.8	-37.7	0	0	109.9	S44	S44-Q46 PolarHBondContact O-N 3.14Å
47	P	44.6	Very low	40.4	Very low	21 Å²	21	101.7 Å²	101.7	14%	0.136	50%	0.504	C	S	.	.				-81.8	123.8	-111.9	-20.9	35.6	0	0	0	111.8	F21 I25 G49 M50	F21-P47 HydrophobicContact CE1-CG 4.07Å; F21-P47 HydrophobicContact CE2-CG 4.34Å; F21-P47 HydrophobicContact CZ-CG 3.6Å; I25-P47 HydrophobicContact CD1-CB 4.36Å; P47-G49 PolarHBondContact O-N 2.77Å; P47-M50 HydrophobicContact CB-CB 3.78Å; P47-M50 HydrophobicContact CB-CG 3.67Å; P47-M50 HydrophobicContact CB-SD 4.07Å; P47-M50 WeakPolarHBondContact CD-SD 3.13Å; P47-M50 HydrophobicContact CG-CB 4.01Å; P47-M50 HydrophobicContact CG-CE 4.48Å; P47-M50 HydrophobicContact CG-CG 3.53Å; P47-M50 HydrophobicContact CG-SD 3.22Å; P47-M50 WeakPolarHBondContact CG-SD 3.27Å; P47-M50 WeakPolarHBondContact O-CB 3.35Å; P47-M50 PolarHBondContact O-N 3.11Å
48	F	41.7	Very low	41.4	Very low	147 Å²	147	99.7 Å²	99.7	65%	0.645	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.3	174.7	-78.3	-93.1	0	0	0	113.2	S44 I52	S44-F48 WeakPolarHBondContact O-CE2 3.41Å; F48-I52 VanDerWaalsContact O-CD1 3.28Å; F48-I52 WeakPolarHBondContact O-CD1 3.25Å
49	G	41.5	Very low	42.3	Very low	11 Å²	11	99.9 Å²	99.9	11%	0.113	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.9	171.2	0	0	0	0	0	116.1	P47	P47-G49 PolarHBondContact O-N 2.77Å
50	M	38	Very low	43.4	Very low	87 Å²	87	99.8 Å²	99.8	43%	0.429	50%	0.503	S	S	.	.	H	α-helix	trans	-71.5	-43.1	-173.8	-100.6	-174.1	36.7	0	0	113.2	F21 P47 I52	F21-M50 HydrophobicContact CD2-CG 3.79Å; F21-M50 HydrophobicContact CD2-SD 4.11Å; F21-M50 HydrophobicContact CE2-CG 3.24Å; F21-M50 HydrophobicContact CE2-SD 3.01Å; F21-M50 WeakPolarHBondContact CE2-SD 3.49Å; F21-M50 HydrophobicContact CZ-CG 3.81Å; F21-M50 HydrophobicContact CZ-SD 3.29Å; F21-M50 WeakPolarHBondContact CZ-SD 3.33Å; P47-M50 HydrophobicContact CB-CB 3.78Å; P47-M50 HydrophobicContact CB-CG 3.67Å; P47-M50 HydrophobicContact CB-SD 4.07Å; P47-M50 WeakPolarHBondContact CD-SD 3.13Å; P47-M50 HydrophobicContact CG-CB 4.01Å; P47-M50 HydrophobicContact CG-CE 4.48Å; P47-M50 HydrophobicContact CG-CG 3.53Å; P47-M50 HydrophobicContact CG-SD 3.22Å; P47-M50 WeakPolarHBondContact CG-SD 3.27Å; P47-M50 WeakPolarHBondContact O-CB 3.35Å; P47-M50 PolarHBondContact O-N 3.11Å; M50-I52 PolarHBondContact O-N 2.82Å; M50-I52 VanDerWaalsContact O-N 3.14Å
51	S	41.5	Very low	44.9	Very low	85 Å²	85	93 Å²	93	59%	0.594	47%	0.473	S	S	*	.	H	α-helix	trans	-69.8	-12.6	-174.3	-51	0	0	0	0	113.3	T55	S51-T55 PolarHBondContact O-OG1 3.04Å
52	I	46.2	Very low	46.7	Very low	10 Å²	10	86.3 Å²	86.3	5%	0.051	45%	0.451	C	S	.	.	H	α-helix	trans	-89.5	-43.2	-172.9	-60.4	168.8	0	0	0	109.8	F48 M50 Y97 F100	F48-I52 VanDerWaalsContact O-CD1 3.28Å; F48-I52 WeakPolarHBondContact O-CD1 3.25Å; M50-I52 PolarHBondContact O-N 2.82Å; M50-I52 VanDerWaalsContact O-N 3.14Å; I52-Y97 HydrophobicContact CB-CD1 4.42Å; I52-Y97 HydrophobicContact CB-CE1 3.89Å; I52-Y97 HydrophobicContact CG2-CD1 3.26Å; I52-Y97 HydrophobicContact CG2-CE1 3.16Å; I52-Y97 HydrophobicContact CG2-CG 4.35Å; I52-Y97 VanDerWaalsContact O-CE1 3.25Å; I52-Y97 WeakPolarHBondContact O-CE1 2.99Å; I52-Y97 PolarHBondContact O-OH 2.95Å; I52-F100 HydrophobicContact CD1-CE1 4.06Å; I52-F100 HydrophobicContact CD1-CE2 3.46Å; I52-F100 VanDerWaalsContact CD1-CE2 3.46Å; I52-F100 HydrophobicContact CD1-CZ 3.11Å; I52-F100 HydrophobicContact CG1-CE2 4.43Å; I52-F100 HydrophobicContact CG1-CZ 3.84Å
53	I	49.6	Very low	48.6	Very low	28 Å²	28	83 Å²	83	14%	0.144	43%	0.428	C	S	.	.	H	α-helix	trans	-84.8	-26.9	-170.4	-65.8	167.8	0	0	0	112.4	Y10 I12 V24 T55	Y10-I53 HydrophobicContact CE2-CD1 4.28Å; I12-I53 HydrophobicContact CD1-CD1 4.03Å; I12-I53 HydrophobicContact CD1-CG1 4.11Å; I12-I53 HydrophobicContact CD1-CG2 3.63Å; V24-I53 HydrophobicContact CG2-CD1 4.01Å; I53-T55 PolarHBondContact O-N 3.26Å
54	H	46.8	Very low	50.4	Low	173 Å²	173	75.6 Å²	75.6	80%	0.801	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.8	-177.2	-110.8	-131	0	0	0	114.3	Y56	H54-Y56 PolarHBondContact O-N 3.02Å
55	T	47.2	Very low	52	Low	92 Å²	92	72.2 Å²	72.2	56%	0.564	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.4	-164.6	-45.9	0	0	0	0	113.8	S51 I53	S51-T55 PolarHBondContact O-OG1 3.04Å; I53-T55 PolarHBondContact O-N 3.26Å
56	Y	50.2	Low	53.8	Low	149 Å²	149	70.7 Å²	70.7	58%	0.584	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	9.4	-174.7	-63.5	-103.2	0	0	0	114.5	H54 K58 Y63 Y97	H54-Y56 PolarHBondContact O-N 3.02Å; Y56-K58 PolarHBondContact O-N 3.25Å; Y56-K58 VanDerWaalsContact O-N 3.08Å; Y56-Y63 PolarHBondContact O-OH 3.45Å; Y56-Y97 HydrophobicContact CD2-CD2 4.4Å; Y56-Y97 AromaticContact CD2-CE2 3.16Å; Y56-Y97 HydrophobicContact CD2-CE2 3.16Å; Y56-Y97 AromaticContact CD2-CZ 3.43Å; Y56-Y97 VanDerWaalsContact CD2-CZ 3.43Å; Y56-Y97 WeakPolarHBondContact CD2-OH 3.34Å; Y56-Y97 AromaticContact CE2-CE2 3.61Å; Y56-Y97 HydrophobicContact CE2-CE2 3.61Å; Y56-Y97 AromaticContact CE2-CZ 3.66Å; Y56-Y97 WeakPolarHBondContact CE2-OH 2.94Å; Y56-Y97 AromaticContact CG-CE2 3.72Å; Y56-Y97 HydrophobicContact CG-CE2 3.72Å
57	K	55	Low	55.5	Low	61 Å²	61	63.4 Å²	63.4	27%	0.265	33%	0.328	S	S	.	.			trans	-67.9	109.5	172.3	-172.6	178.1	-176.1	178	0	108.3	Y13 Y63	Y13-K57 PolarHBondContact O-NZ 2.92Å; K57-Y63 HydrophobicContact CB-CE2 4.37Å; K57-Y63 HydrophobicContact CG-CD2 4.42Å; K57-Y63 HydrophobicContact CG-CE2 3.88Å
58	K	57.7	Low	56.8	Low	130 Å²	130	63.6 Å²	63.6	57%	0.565	33%	0.326	S	S	*	.			trans	-62	128.8	161.7	-82	-174.2	-179.5	179.8	0	107.4	Y56 S60 S61 Y63	Y56-K58 PolarHBondContact O-N 3.25Å; Y56-K58 VanDerWaalsContact O-N 3.08Å; K58-S60 PolarHBondContact O-N 3.17Å; K58-S61 WeakPolarHBondContact CB-OG 3.19Å; K58-S61 PolarHBondContact O-N 3Å; K58-Y63 PolarHBondContact N-OH 2.76Å
59	P	55.1	Low	58.1	Low	123 Å²	123	57 Å²	57	80%	0.799	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	72.5	-179.7	28.5	-33.2	0	0	0	110.5
60	S	60.4	Low	59.5	Low	64 Å²	64	57.2 Å²	57.2	45%	0.448	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	176.3	-17	172	51.3	0	0	0	0	112.2	N14 K58 E87	N14-S60 VanDerWaalsContact ND2-CA 3.3Å; N14-S60 WeakPolarHBondContact ND2-CA 3.4Å; N14-S60 PolarHBondContact ND2-O 2.9Å; K58-S60 PolarHBondContact O-N 3.17Å; S60-E87 PolarHBondContact OG-OE1 2.85Å
61	S	63.6	Low	60.8	Low	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.			trans	-97.9	144.3	-163.8	-43	0	0	0	0	113.4	K58 N85 E87	K58-S61 WeakPolarHBondContact CB-OG 3.19Å; K58-S61 PolarHBondContact O-N 3Å; S61-N85 WeakPolarHBondContact CB-OD1 3.42Å; S61-E87 VanDerWaalsContact CA-OE1 3.32Å; S61-E87 WeakPolarHBondContact CA-OE1 3.36Å; S61-E87 VanDerWaalsContact CB-OE1 3.23Å; S61-E87 WeakPolarHBondContact CB-OE1 3.3Å; S61-E87 PolarHBondContact OG-OE1 3.06Å; S61-E87 PolarHBondContact OG-OE2 3.28Å
62	N	67.8	Low	62.1	Low	61 Å²	61	59.7 Å²	59.7	33%	0.326	30%	0.296	S	S	.	.			trans	-90.4	138.5	167.9	-62.7	-39.4	0	0	0	108.8	I12 Y13 N14 N85 D86	I12-N62 WeakPolarHBondContact O-CA 3.37Å; Y13-N62 WeakPolarHBondContact CA-OD1 3.4Å; N14-N62 PolarHBondContact N-OD1 2.78Å; N62-N85 PolarHBondContact O-OD1 3.02Å; N62-N85 VanDerWaalsContact O-OD1 3.07Å; N62-D86 HydrophobicContact CB-CB 4.31Å; N62-D86 PolarHBondContact O-N 3.14Å
63	Y	68.7	Low	63.3	Low	21 Å²	21	61.9 Å²	61.9	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.7	179.4	-66.2	-93.3	0	0	0	110.5	R11 I12 Y56 K57 K58 M83 T84 N85	R11-Y63 CarbonylContact C-O 3.49Å; R11-Y63 WeakPolarHBondContact CA-O 3.07Å; I12-Y63 PolarHBondContact N-O 2.06Å; I12-Y63 PolarHBondContact O-N 2.98Å; Y56-Y63 PolarHBondContact O-OH 3.45Å; K57-Y63 HydrophobicContact CB-CE2 4.37Å; K57-Y63 HydrophobicContact CG-CD2 4.42Å; K57-Y63 HydrophobicContact CG-CE2 3.88Å; K58-Y63 PolarHBondContact N-OH 2.76Å; Y63-M83 HydrophobicContact CD1-CE 4.03Å; Y63-M83 HydrophobicContact CG-CE 4.05Å; Y63-T84 CarbonylContact C-O 3.58Å; Y63-T84 VanDerWaalsContact CA-O 3.29Å; Y63-T84 WeakPolarHBondContact CA-O 3.03Å; Y63-N85 HydrophobicContact CD1-CB 4.08Å; Y63-N85 HydrophobicContact CE1-CB 3.9Å
64	E	72.3	Confident	64.3	Low	47 Å²	47	68.2 Å²	68.2	22%	0.22	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126	160.5	-173.8	168.1	168.5	0	0	108.6	M83 T84	E64-M83 CarbonylContact O-C 3.59Å; E64-M83 WeakPolarHBondContact O-CA 3.21Å; E64-T84 PolarHBondContact N-O 2.86Å; E64-T84 PolarHBondContact O-N 2.89Å
65	V	72	Confident	65.2	Low	1 Å²	1	63.1 Å²	63.1	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.6	176.6	-171.4	0	0	0	0	109.3	S9 Y10 I12 F81 L82 M83	S9-V65 WeakPolarHBondContact CA-O 2.97Å; Y10-V65 HydrophobicContact CD1-CB 4.2Å; Y10-V65 HydrophobicContact CD2-CB 4.24Å; Y10-V65 HydrophobicContact CD2-CG2 4.42Å; Y10-V65 HydrophobicContact CE1-CB 3.73Å; Y10-V65 HydrophobicContact CE1-CG1 3.75Å; Y10-V65 HydrophobicContact CE2-CB 3.78Å; Y10-V65 HydrophobicContact CE2-CG1 4.34Å; Y10-V65 HydrophobicContact CE2-CG2 3.83Å; Y10-V65 HydrophobicContact CG-CB 4.43Å; Y10-V65 VanDerWaalsContact CZ-CB 3.49Å; Y10-V65 PolarHBondContact N-O 3.19Å; Y10-V65 PolarHBondContact O-N 3.38Å; Y10-V65 WeakPolarHBondContact OH-CG1 3.22Å; I12-V65 HydrophobicContact CD1-CG2 3.51Å; I12-V65 HydrophobicContact CG1-CG2 4.11Å; V65-F81 HydrophobicContact CG1-CB 4.46Å; V65-F81 HydrophobicContact CG1-CD1 4.11Å; V65-L82 CarbonylContact C-O 3.46Å; V65-L82 WeakPolarHBondContact CA-O 2.68Å; V65-M83 HydrophobicContact CG1-CG 4.14Å; V65-M83 HydrophobicContact CG2-CE 3.99Å; V65-M83 HydrophobicContact CG2-CG 3.97Å
66	D	73.6	Confident	65.8	Low	16 Å²	16	60.2 Å²	60.2	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.1	173.9	-72.8	-16.8	0	0	0	110.2	K6 S9 F68 F81 L82	K6-D66 WeakPolarHBondContact CE-OD1 3.08Å; K6-D66 WeakPolarHBondContact CE-OD2 3.28Å; K6-D66 IonicContact NZ-OD1 2.73Å; K6-D66 PolarHBondContact NZ-OD1 2.81Å; K6-D66 IonicContact NZ-OD2 2.78Å; K6-D66 PolarHBondContact NZ-OD2 2.79Å; S9-D66 WeakPolarHBondContact CB-OD1 3.43Å; S9-D66 PolarHBondContact OG-OD1 2.83Å; D66-F68 HydrophobicContact CB-CD2 4.1Å; D66-F68 HydrophobicContact CB-CE2 3.26Å; D66-F68 HydrophobicContact CB-CZ 3.59Å; D66-F81 WeakPolarHBondContact O-CA 3.22Å; D66-L82 HydrophobicContact CB-CB 4.22Å; D66-L82 PolarHBondContact N-O 2.79Å; D66-L82 PolarHBondContact O-N 2.81Å
67	V	72.6	Confident	66.5	Low	4 Å²	4	53.7 Å²	53.7	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.9	176	-171	0	0	0	0	108.1	K6 L7 H8 Y10 I79 H80 F81	K6-V67 CarbonylContact C-O 3.51Å; L7-V67 HydrophobicContact CB-CB 4.45Å; L7-V67 HydrophobicContact CB-CG1 4.42Å; L7-V67 HydrophobicContact CD1-CG1 4.19Å; L7-V67 PolarHBondContact N-O 3.47Å; H8-V67 PolarHBondContact N-O 3.48Å; H8-V67 PolarHBondContact O-N 2.9Å; Y10-V67 HydrophobicContact CD1-CG2 4.48Å; Y10-V67 HydrophobicContact CE1-CG2 3.92Å; V67-I79 HydrophobicContact CG1-CG2 3.42Å; V67-I79 VanDerWaalsContact CG1-CG2 3.42Å; V67-H80 CarbonylContact C-O 3.49Å; V67-H80 WeakPolarHBondContact CA-O 3.42Å; V67-F81 HydrophobicContact CB-CE1 4.47Å; V67-F81 HydrophobicContact CG1-CD1 4.47Å; V67-F81 HydrophobicContact CG1-CE1 4.08Å; V67-F81 HydrophobicContact CG1-CZ 4.22Å; V67-F81 HydrophobicContact CG2-CD1 3.75Å; V67-F81 HydrophobicContact CG2-CE1 3.61Å
68	F	71.5	Confident	67.1	Low	25 Å²	25	52.8 Å²	52.8	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.1	178.2	-58.1	-91.6	0	0	0	110.8	L3 S5 K6 D66 I79 H80 L82	L3-F68 HydrophobicContact CB-CD1 4.36Å; L3-F68 HydrophobicContact CD1-CD1 4.19Å; L3-F68 HydrophobicContact CD1-CE1 4.24Å; L3-F68 HydrophobicContact CD1-CG 4.42Å; L3-F68 HydrophobicContact CD2-CB 3.81Å; L3-F68 HydrophobicContact CD2-CD1 4.33Å; L3-F68 HydrophobicContact CD2-CD2 4.41Å; L3-F68 HydrophobicContact CD2-CG 3.96Å; S5-F68 CarbonylContact O-C 3.43Å; S5-F68 VanDerWaalsContact O-CA 3.31Å; S5-F68 WeakPolarHBondContact O-CA 3.25Å; K6-F68 HydrophobicContact CB-CD1 3.78Å; K6-F68 HydrophobicContact CB-CE1 3.67Å; K6-F68 HydrophobicContact CD-CE1 3.92Å; K6-F68 HydrophobicContact CD-CZ 4.18Å; K6-F68 HydrophobicContact CG-CD1 4.18Å; K6-F68 HydrophobicContact CG-CE1 3.84Å; K6-F68 HydrophobicContact CG-CZ 4.34Å; D66-F68 HydrophobicContact CB-CD2 4.1Å; D66-F68 HydrophobicContact CB-CE2 3.26Å; D66-F68 HydrophobicContact CB-CZ 3.59Å; F68-I79 CarbonylContact O-C 3.44Å; F68-I79 VanDerWaalsContact O-CA 3.24Å; F68-I79 WeakPolarHBondContact O-CA 3.39Å; F68-H80 HydrophobicContact CB-CB 4.28Å; F68-H80 PolarHBondContact N-O 2.85Å; F68-H80 PolarHBondContact O-N 2.9Å; F68-L82 HydrophobicContact CD2-CB 4.24Å; F68-L82 HydrophobicContact CE2-CB 3.71Å; F68-L82 HydrophobicContact CE2-CD2 3.89Å; F68-L82 HydrophobicContact CE2-CG 4.47Å; F68-L82 HydrophobicContact CZ-CD2 4.35Å
69	I	69.9	Low	67.7	Low	10 Å²	10	47.7 Å²	47.7	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.1	156.4	-65.9	172.5	0	0	0	107.1	V4 S5 L7 Q71 K72 K78 I79	V4-I69 WeakPolarHBondContact CA-O 3.32Å; V4-I69 VanDerWaalsContact CB-O 3.25Å; V4-I69 WeakPolarHBondContact CB-O 2.79Å; V4-I69 PolarHBondContact N-O 3.16Å; S5-I69 PolarHBondContact N-O 3.11Å; S5-I69 PolarHBondContact O-N 2.82Å; L7-I69 HydrophobicContact CD1-CD1 3.72Å; L7-I69 HydrophobicContact CD1-CG1 3.55Å; L7-I69 HydrophobicContact CD2-CD1 3.64Å; L7-I69 HydrophobicContact CD2-CG1 4.14Å; L7-I69 HydrophobicContact CG-CD1 3.85Å; L7-I69 HydrophobicContact CG-CG1 3.76Å; I69-Q71 WeakPolarHBondContact CG2-O 3.31Å; I69-K72 HydrophobicContact CG2-CB 4.13Å; I69-K78 CarbonylContact C-O 3.48Å; I69-K78 VanDerWaalsContact CA-O 3.27Å; I69-K78 WeakPolarHBondContact CA-O 3.4Å; I69-I79 HydrophobicContact CG1-CG1 4.32Å
70	S	69.7	Low	68.3	Low	14 Å²	14	42 Å²	42	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-12.2	171.4	74.7	0	0	0	0	113.5	M1 V4 K78 H80	M1-S70 VanDerWaalsContact CE-CB 3.48Å; M1-S70 WeakPolarHBondContact CE-OG 3.34Å; V4-S70 VanDerWaalsContact CG2-O 3.23Å; V4-S70 WeakPolarHBondContact CG2-O 3.39Å; S70-K78 PolarHBondContact N-O 2.54Å; S70-K78 WeakPolarHBondContact OG-CD 3.23Å; S70-H80 WeakPolarHBondContact CB-CD2 3.35Å; S70-H80 VanDerWaalsContact CB-NE2 3.33Å; S70-H80 WeakPolarHBondContact CB-NE2 3.12Å; S70-H80 PolarHBondContact OG-CD2 2.79Å; S70-H80 VanDerWaalsContact OG-CD2 3.26Å; S70-H80 PolarHBondContact OG-NE2 2.79Å
71	Q	65.3	Low	68.8	Low	85 Å²	85	39.8 Å²	39.8	40%	0.397	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	131	-179.7	-175.3	-179.2	-16.1	0	0	107.1	I69 T73 E77 K78	I69-Q71 WeakPolarHBondContact CG2-O 3.31Å; Q71-T73 HydrophobicContact CG-CG2 4.48Å; Q71-E77 CarbonylContact O-C 3.56Å; Q71-E77 VanDerWaalsContact O-CA 3.29Å; Q71-E77 WeakPolarHBondContact O-CA 3.39Å; Q71-K78 HydrophobicContact CB-CB 3.59Å; Q71-K78 HydrophobicContact CB-CD 4.31Å; Q71-K78 PolarHBondContact O-N 2.81Å
72	K	68.8	Low	69.2	Low	139 Å²	139	41.2 Å²	41.2	60%	0.604	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.8	174.2	179.1	163.9	179.6	139.2	0	107.3	I69 E77	I69-K72 HydrophobicContact CG2-CB 4.13Å; K72-E77 WeakPolarHBondContact CD-OE1 3.45Å; K72-E77 VanDerWaalsContact CE-OE1 3.29Å; K72-E77 WeakPolarHBondContact CE-OE1 3.25Å; K72-E77 HydrophobicContact CG-CG 4.23Å; K72-E77 IonicContact NZ-OE1 3.28Å; K72-E77 PolarHBondContact NZ-OE1 2.74Å
73	T	70.7	Confident	69.4	Low	56 Å²	56	38.9 Å²	38.9	34%	0.344	20%	0.2	S	C	.	.			trans	-119.5	173.1	167.9	66.9	0	0	0	0	108.7	Q71 S75 V76	Q71-T73 HydrophobicContact CG-CG2 4.48Å; T73-S75 PolarHBondContact O-N 3.46Å; T73-S75 VanDerWaalsContact O-N 3.08Å; T73-S75 PolarHBondContact OG1-N 2.89Å; T73-S75 PolarHBondContact OG1-OG 2.93Å; T73-V76 PolarHBondContact N-O 3.44Å; T73-V76 PolarHBondContact OG1-N 3.4Å; T73-V76 PolarHBondContact OG1-O 3.5Å
74	D	70.9	Confident	69.5	Low	161 Å²	161	38.3 Å²	38.3	86%	0.861	20%	0.199	S	C	*	.	S	Bend	trans	-60.9	-18	175.8	-59.8	-31.9	0	0	0	113	N104	D74-N104 PolarHBondContact O-ND2 3.13Å
75	S	67.3	Low	69.4	Low	66 Å²	66	37.5 Å²	37.5	46%	0.462	20%	0.196	S	C	.	.	S	Bend	trans	-117.2	-23.1	-175.6	54.1	0	0	0	0	114.3	T73 I103 N104	T73-S75 PolarHBondContact O-N 3.46Å; T73-S75 VanDerWaalsContact O-N 3.08Å; T73-S75 PolarHBondContact OG1-N 2.89Å; T73-S75 PolarHBondContact OG1-OG 2.93Å; S75-I103 CarbonylContact O-C 3.56Å; S75-I103 VanDerWaalsContact O-CA 3.23Å; S75-I103 WeakPolarHBondContact O-CA 3.17Å; S75-N104 PolarHBondContact O-N 2.74Å
76	V	59.2	Low	69.2	Low	32 Å²	32	40.4 Å²	40.4	19%	0.194	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	126	-171.2	-173.2	0	0	0	0	112.3	T73 F101 R102 I103	T73-V76 PolarHBondContact N-O 3.44Å; T73-V76 PolarHBondContact OG1-N 3.4Å; T73-V76 PolarHBondContact OG1-O 3.5Å; V76-F101 HydrophobicContact CG1-CB 4.05Å; V76-F101 HydrophobicContact CG1-CD1 3.76Å; V76-F101 HydrophobicContact CG1-CG 4.4Å; V76-R102 CarbonylContact C-O 3.54Å; V76-R102 VanDerWaalsContact CA-O 3.22Å; V76-R102 WeakPolarHBondContact CA-O 3.41Å; V76-I103 HydrophobicContact CG2-CG1 4.39Å
77	E	65.1	Low	68.5	Low	11 Å²	11	43.1 Å²	43.1	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.6	165.2	-51.5	-173.9	133.3	0	0	110.4	Q71 K72 F101 R102	Q71-E77 CarbonylContact O-C 3.56Å; Q71-E77 VanDerWaalsContact O-CA 3.29Å; Q71-E77 WeakPolarHBondContact O-CA 3.39Å; K72-E77 WeakPolarHBondContact CD-OE1 3.45Å; K72-E77 VanDerWaalsContact CE-OE1 3.29Å; K72-E77 WeakPolarHBondContact CE-OE1 3.25Å; K72-E77 HydrophobicContact CG-CG 4.23Å; K72-E77 IonicContact NZ-OE1 3.28Å; K72-E77 PolarHBondContact NZ-OE1 2.74Å; E77-F101 CarbonylContact O-C 3.47Å; E77-F101 WeakPolarHBondContact O-CA 3.35Å; E77-R102 HydrophobicContact CB-CB 4.15Å; E77-R102 PolarHBondContact N-O 3.23Å; E77-R102 PolarHBondContact O-N 3.36Å; E77-R102 WeakPolarHBondContact OE2-CD 3.43Å; E77-R102 IonicContact OE2-CZ 3.61Å; E77-R102 IonicContact OE2-NE 3.67Å; E77-R102 IonicContact OE2-NH1 2.89Å; E77-R102 PolarHBondContact OE2-NH1 2.73Å
78	K	67.9	Low	67.7	Low	42 Å²	42	47 Å²	47	18%	0.183	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.6	175.8	-166.7	176.1	-177.4	-178.7	0	109.5	M1 I69 S70 Q71 T99 F100 F101	M1-K78 HydrophobicContact CE-CD 3.83Å; I69-K78 CarbonylContact C-O 3.48Å; I69-K78 VanDerWaalsContact CA-O 3.27Å; I69-K78 WeakPolarHBondContact CA-O 3.4Å; S70-K78 PolarHBondContact N-O 2.54Å; S70-K78 WeakPolarHBondContact OG-CD 3.23Å; Q71-K78 HydrophobicContact CB-CB 3.59Å; Q71-K78 HydrophobicContact CB-CD 4.31Å; Q71-K78 PolarHBondContact O-N 2.81Å; K78-T99 HydrophobicContact CD-CG2 3.89Å; K78-T99 HydrophobicContact CG-CG2 3.44Å; K78-T99 VanDerWaalsContact CG-CG2 3.44Å; K78-F100 CarbonylContact C-O 3.51Å; K78-F100 WeakPolarHBondContact CA-O 3.23Å; K78-F101 HydrophobicContact CB-CD1 4.34Å; K78-F101 HydrophobicContact CB-CE1 4.38Å; K78-F101 HydrophobicContact CD-CE1 3.78Å; K78-F101 HydrophobicContact CD-CZ 4.2Å; K78-F101 HydrophobicContact CG-CD1 4.16Å; K78-F101 HydrophobicContact CG-CE1 3.89Å; K78-F101 HydrophobicContact CG-CZ 4.41Å
79	I	68.7	Low	66.9	Low	24 Å²	24	52.2 Å²	52.2	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	-173.4	-54.7	172	0	0	0	109.7	V67 F68 I69 F81 T99 F100 R102	V67-I79 HydrophobicContact CG1-CG2 3.42Å; V67-I79 VanDerWaalsContact CG1-CG2 3.42Å; F68-I79 CarbonylContact O-C 3.44Å; F68-I79 VanDerWaalsContact O-CA 3.24Å; F68-I79 WeakPolarHBondContact O-CA 3.39Å; I69-I79 HydrophobicContact CG1-CG1 4.32Å; I79-F81 HydrophobicContact CG2-CD2 4.49Å; I79-F81 HydrophobicContact CG2-CE2 3.86Å; I79-F81 HydrophobicContact CG2-CZ 4.2Å; I79-T99 CarbonylContact O-C 3.54Å; I79-T99 WeakPolarHBondContact O-CA 3.32Å; I79-F100 HydrophobicContact CB-CB 4.46Å; I79-F100 PolarHBondContact N-O 2.79Å; I79-F100 PolarHBondContact O-N 3.09Å; I79-R102 HydrophobicContact CD1-CB 4.23Å
80	H	68.9	Low	66.2	Low	2 Å²	2	60.5 Å²	60.5	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.1	178.2	-67.1	-91.1	0	0	0	110.5	M1 V67 F68 S70 L96 R98 T99	M1-H80 WeakPolarHBondContact CE-CE1 3.32Å; M1-H80 WeakPolarHBondContact CE-NE2 3.42Å; V67-H80 CarbonylContact C-O 3.49Å; V67-H80 WeakPolarHBondContact CA-O 3.42Å; F68-H80 HydrophobicContact CB-CB 4.28Å; F68-H80 PolarHBondContact N-O 2.85Å; F68-H80 PolarHBondContact O-N 2.9Å; S70-H80 WeakPolarHBondContact CB-CD2 3.35Å; S70-H80 VanDerWaalsContact CB-NE2 3.33Å; S70-H80 WeakPolarHBondContact CB-NE2 3.12Å; S70-H80 PolarHBondContact OG-CD2 2.79Å; S70-H80 VanDerWaalsContact OG-CD2 3.26Å; S70-H80 PolarHBondContact OG-NE2 2.79Å; H80-L96 HydrophobicContact CB-CD1 4.04Å; H80-R98 WeakPolarHBondContact CA-O 2.81Å; H80-T99 PolarHBondContact CE1-OG1 3.03Å; H80-T99 PolarHBondContact ND1-OG1 3.19Å; H80-T99 VanDerWaalsContact ND1-OG1 3.16Å
81	F	70.4	Confident	65.5	Low	18 Å²	18	66.1 Å²	66.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.8	170.1	-64.8	-97.8	0	0	0	108.4	V24 V65 D66 V67 I79 Y97 R98 F100	V24-F81 HydrophobicContact CG1-CE1 4.49Å; V65-F81 HydrophobicContact CG1-CB 4.46Å; V65-F81 HydrophobicContact CG1-CD1 4.11Å; D66-F81 WeakPolarHBondContact O-CA 3.22Å; V67-F81 HydrophobicContact CB-CE1 4.47Å; V67-F81 HydrophobicContact CG1-CD1 4.47Å; V67-F81 HydrophobicContact CG1-CE1 4.08Å; V67-F81 HydrophobicContact CG1-CZ 4.22Å; V67-F81 HydrophobicContact CG2-CD1 3.75Å; V67-F81 HydrophobicContact CG2-CE1 3.61Å; I79-F81 HydrophobicContact CG2-CD2 4.49Å; I79-F81 HydrophobicContact CG2-CE2 3.86Å; I79-F81 HydrophobicContact CG2-CZ 4.2Å; F81-Y97 WeakPolarHBondContact O-CB 3.43Å; F81-Y97 PolarHBondContact O-N 2.82Å; F81-R98 PolarHBondContact N-O 2.73Å; F81-R98 VanDerWaalsContact N-O 3.11Å; F81-F100 AromaticContact CD2-CD2 3.62Å; F81-F100 HydrophobicContact CD2-CD2 3.62Å; F81-F100 AromaticContact CD2-CE2 3.59Å; F81-F100 HydrophobicContact CD2-CE2 3.59Å; F81-F100 AromaticContact CE2-CD2 3.38Å; F81-F100 HydrophobicContact CE2-CD2 3.38Å; F81-F100 AromaticContact CE2-CE2 3.61Å; F81-F100 HydrophobicContact CE2-CE2 3.61Å; F81-F100 HydrophobicContact CE2-CG 4.41Å
82	L	71.9	Confident	65.1	Low	30 Å²	30	66.5 Å²	66.5	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.4	172.7	-170.3	71	0	0	0	107.6	V65 D66 F68 H94	V65-L82 CarbonylContact C-O 3.46Å; V65-L82 WeakPolarHBondContact CA-O 2.68Å; D66-L82 HydrophobicContact CB-CB 4.22Å; D66-L82 PolarHBondContact N-O 2.79Å; D66-L82 PolarHBondContact O-N 2.81Å; F68-L82 HydrophobicContact CD2-CB 4.24Å; F68-L82 HydrophobicContact CE2-CB 3.71Å; F68-L82 HydrophobicContact CE2-CD2 3.89Å; F68-L82 HydrophobicContact CE2-CG 4.47Å; F68-L82 HydrophobicContact CZ-CD2 4.35Å; L82-H94 HydrophobicContact CD1-CB 4.14Å
83	M	72.2	Confident	64.5	Low	13 Å²	13	65.6 Å²	65.6	6%	0.064	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.3	176.3	-60.6	-174.5	68.3	0	0	108.9	I12 Y63 E64 V65 K95 Y97	I12-M83 HydrophobicContact CD1-CE 4.18Å; Y63-M83 HydrophobicContact CD1-CE 4.03Å; Y63-M83 HydrophobicContact CG-CE 4.05Å; E64-M83 CarbonylContact O-C 3.59Å; E64-M83 WeakPolarHBondContact O-CA 3.21Å; V65-M83 HydrophobicContact CG1-CG 4.14Å; V65-M83 HydrophobicContact CG2-CE 3.99Å; V65-M83 HydrophobicContact CG2-CG 3.97Å; M83-K95 PolarHBondContact N-O 2.96Å; M83-K95 PolarHBondContact O-N 3.33Å; M83-Y97 HydrophobicContact CG-CG 4.49Å; M83-Y97 HydrophobicContact SD-CD2 3.75Å; M83-Y97 HydrophobicContact SD-CE2 4.23Å; M83-Y97 HydrophobicContact SD-CG 3.97Å
84	T	71	Confident	63.8	Low	9 Å²	9	68.4 Å²	68.4	6%	0.055	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.5	174.9	-50	0	0	0	0	107.4	Y63 E64 K92 H94	Y63-T84 CarbonylContact C-O 3.58Å; Y63-T84 VanDerWaalsContact CA-O 3.29Å; Y63-T84 WeakPolarHBondContact CA-O 3.03Å; E64-T84 PolarHBondContact N-O 2.86Å; E64-T84 PolarHBondContact O-N 2.89Å; T84-K92 HydrophobicContact CG2-CB 4.28Å; T84-K92 HydrophobicContact CG2-CD 4.41Å; T84-K92 HydrophobicContact CG2-CG 4.36Å; T84-H94 PolarHBondContact OG1-CE1 2.95Å; T84-H94 PolarHBondContact OG1-ND1 2.76Å; T84-H94 VanDerWaalsContact OG1-ND1 3.1Å
85	N	70.7	Confident	63.4	Low	29 Å²	29	65.7 Å²	65.7	16%	0.155	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.1	172.4	-174.4	-0.2	0	0	0	108.7	S61 N62 Y63 E87	S61-N85 WeakPolarHBondContact CB-OD1 3.42Å; N62-N85 PolarHBondContact O-OD1 3.02Å; N62-N85 VanDerWaalsContact O-OD1 3.07Å; Y63-N85 HydrophobicContact CD1-CB 4.08Å; Y63-N85 HydrophobicContact CE1-CB 3.9Å; N85-E87 PolarHBondContact ND2-OE2 3.12Å; N85-E87 PolarHBondContact O-N 3.08Å; N85-E87 WeakPolarHBondContact OD1-CG 3.47Å; N85-E87 PolarHBondContact OD1-N 3.21Å; N85-E87 VanDerWaalsContact OD1-N 3.09Å
86	D	66.7	Low	62.8	Low	63 Å²	63	67.5 Å²	67.5	34%	0.337	34%	0.341	S	S	.	.			trans	-77.7	-0.8	177.3	-75.4	-23	0	0	0	113	N62 S88	N62-D86 HydrophobicContact CB-CB 4.31Å; N62-D86 PolarHBondContact O-N 3.14Å; D86-S88 PolarHBondContact O-N 3.25Å
87	E	60.1	Low	62.8	Low	72 Å²	72	68.1 Å²	68.1	34%	0.336	34%	0.341	S	S	.	.	S	Bend	trans	-74.3	108.2	179.1	-72.3	174.7	170.3	0	0	113.2	S60 S61 N85	S60-E87 PolarHBondContact OG-OE1 2.85Å; S61-E87 VanDerWaalsContact CA-OE1 3.32Å; S61-E87 WeakPolarHBondContact CA-OE1 3.36Å; S61-E87 VanDerWaalsContact CB-OE1 3.23Å; S61-E87 WeakPolarHBondContact CB-OE1 3.3Å; S61-E87 PolarHBondContact OG-OE1 3.06Å; S61-E87 PolarHBondContact OG-OE2 3.28Å; N85-E87 PolarHBondContact ND2-OE2 3.12Å; N85-E87 PolarHBondContact O-N 3.08Å; N85-E87 WeakPolarHBondContact OD1-CG 3.47Å; N85-E87 PolarHBondContact OD1-N 3.21Å; N85-E87 VanDerWaalsContact OD1-N 3.09Å
88	S	54.2	Low	62.5	Low	85 Å²	85	74.6 Å²	74.6	59%	0.594	36%	0.364	S	S	*	.			trans	60.3	111.1	168.3	66.7	0	0	0	0	116.5	D86 M90 N91	D86-S88 PolarHBondContact O-N 3.25Å; S88-M90 PolarHBondContact O-N 2.81Å; S88-N91 PolarHBondContact O-N 3.28Å; S88-N91 VanDerWaalsContact O-N 3.13Å
89	D	54.5	Low	61.9	Low	135 Å²	135	74.8 Å²	74.8	72%	0.722	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	11	-173	-79.1	-52.7	0	0	0	118.2	K92	D89-K92 WeakPolarHBondContact OD1-CE 3.41Å; D89-K92 IonicContact OD1-NZ 2.81Å; D89-K92 PolarHBondContact OD1-NZ 3.02Å
90	M	56.5	Low	61.7	Low	184 Å²	184	76.1 Å²	76.1	91%	0.906	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-8.6	173.1	-68.5	-162.4	162.5	0	0	114.6	S88	S88-M90 PolarHBondContact O-N 2.81Å
91	N	55.5	Low	61	Low	132 Å²	132	82 Å²	82	71%	0.706	40%	0.4	S	S	*	.			trans	-134.4	43.2	-179.9	-77.2	-32.1	0	0	0	112.3	S88 E93	S88-N91 PolarHBondContact O-N 3.28Å; S88-N91 VanDerWaalsContact O-N 3.13Å; N91-E93 PolarHBondContact O-N 3.07Å
92	K	56.4	Low	60.5	Low	93 Å²	93	84.3 Å²	84.3	40%	0.404	41%	0.408	S	S	.	.			trans	-66	82.7	169.2	-73.7	-177.3	-177.7	164.6	0	109.3	T84 D89 H94	T84-K92 HydrophobicContact CG2-CB 4.28Å; T84-K92 HydrophobicContact CG2-CD 4.41Å; T84-K92 HydrophobicContact CG2-CG 4.36Å; D89-K92 WeakPolarHBondContact OD1-CE 3.41Å; D89-K92 IonicContact OD1-NZ 2.81Å; D89-K92 PolarHBondContact OD1-NZ 3.02Å; K92-H94 PolarHBondContact O-N 3.1Å; K92-H94 VanDerWaalsContact O-N 3.14Å
93	E	55.5	Low	59.9	Low	121 Å²	121	89 Å²	89	57%	0.565	43%	0.432	S	S	*	.			trans	-77	100.7	176.1	-163.1	-176.9	175.3	0	0	108.1	N91 K95	N91-E93 PolarHBondContact O-N 3.07Å; E93-K95 VanDerWaalsContact CD-NZ 3.35Å; E93-K95 HydrophobicContact CG-CG 4.18Å; E93-K95 PolarHBondContact O-N 3.49Å; E93-K95 VanDerWaalsContact O-N 3.12Å; E93-K95 WeakPolarHBondContact OE1-CE 3.29Å; E93-K95 IonicContact OE1-NZ 2.79Å; E93-K95 PolarHBondContact OE1-NZ 2.63Å; E93-K95 WeakPolarHBondContact OE2-CE 3.33Å; E93-K95 IonicContact OE2-NZ 2.79Å; E93-K95 PolarHBondContact OE2-NZ 3.14Å
94	H	56.8	Low	59.1	Low	114 Å²	114	95.3 Å²	95.3	53%	0.528	47%	0.466	S	S	.	.			trans	-70.3	100.8	170.4	-72.7	-80.9	0	0	0	109.1	L82 T84 K92	L82-H94 HydrophobicContact CD1-CB 4.14Å; T84-H94 PolarHBondContact OG1-CE1 2.95Å; T84-H94 PolarHBondContact OG1-ND1 2.76Å; T84-H94 VanDerWaalsContact OG1-ND1 3.1Å; K92-H94 PolarHBondContact O-N 3.1Å; K92-H94 VanDerWaalsContact O-N 3.14Å
95	K	61.1	Low	58.5	Low	105 Å²	105	99.6 Å²	99.6	46%	0.457	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.8	173.5	-72.5	-173.5	-179.9	165.3	0	109.9	M83 E93 Y97	M83-K95 PolarHBondContact N-O 2.96Å; M83-K95 PolarHBondContact O-N 3.33Å; E93-K95 VanDerWaalsContact CD-NZ 3.35Å; E93-K95 HydrophobicContact CG-CG 4.18Å; E93-K95 PolarHBondContact O-N 3.49Å; E93-K95 VanDerWaalsContact O-N 3.12Å; E93-K95 WeakPolarHBondContact OE1-CE 3.29Å; E93-K95 IonicContact OE1-NZ 2.79Å; E93-K95 PolarHBondContact OE1-NZ 2.63Å; E93-K95 WeakPolarHBondContact OE2-CE 3.33Å; E93-K95 IonicContact OE2-NZ 2.79Å; E93-K95 PolarHBondContact OE2-NZ 3.14Å; K95-Y97 PolarHBondContact O-N 2.97Å
96	L	56.5	Low	57.9	Low	103 Å²	103	103.3 Å²	103.3	54%	0.539	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	106.7	164.3	-177.2	70.4	0	0	0	107.4	H80	H80-L96 HydrophobicContact CB-CD1 4.04Å
97	Y	59.1	Low	57.4	Low	46 Å²	46	105.6 Å²	105.6	18%	0.18	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.2	-165.7	-169.9	-87.1	0	0	0	111.7	I52 Y56 F81 M83 K95	I52-Y97 HydrophobicContact CB-CD1 4.42Å; I52-Y97 HydrophobicContact CB-CE1 3.89Å; I52-Y97 HydrophobicContact CG2-CD1 3.26Å; I52-Y97 HydrophobicContact CG2-CE1 3.16Å; I52-Y97 HydrophobicContact CG2-CG 4.35Å; I52-Y97 VanDerWaalsContact O-CE1 3.25Å; I52-Y97 WeakPolarHBondContact O-CE1 2.99Å; I52-Y97 PolarHBondContact O-OH 2.95Å; Y56-Y97 HydrophobicContact CD2-CD2 4.4Å; Y56-Y97 AromaticContact CD2-CE2 3.16Å; Y56-Y97 HydrophobicContact CD2-CE2 3.16Å; Y56-Y97 AromaticContact CD2-CZ 3.43Å; Y56-Y97 VanDerWaalsContact CD2-CZ 3.43Å; Y56-Y97 WeakPolarHBondContact CD2-OH 3.34Å; Y56-Y97 AromaticContact CE2-CE2 3.61Å; Y56-Y97 HydrophobicContact CE2-CE2 3.61Å; Y56-Y97 AromaticContact CE2-CZ 3.66Å; Y56-Y97 WeakPolarHBondContact CE2-OH 2.94Å; Y56-Y97 AromaticContact CG-CE2 3.72Å; Y56-Y97 HydrophobicContact CG-CE2 3.72Å; F81-Y97 WeakPolarHBondContact O-CB 3.43Å; F81-Y97 PolarHBondContact O-N 2.82Å; M83-Y97 HydrophobicContact CG-CG 4.49Å; M83-Y97 HydrophobicContact SD-CD2 3.75Å; M83-Y97 HydrophobicContact SD-CE2 4.23Å; M83-Y97 HydrophobicContact SD-CG 3.97Å; K95-Y97 PolarHBondContact O-N 2.97Å
98	R	58.2	Low	57.2	Low	146 Å²	146	107.5 Å²	107.5	55%	0.551	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165.1	152.1	177.6	-159.8	153	175.3	164	1.5	112	H80 F81 F100	H80-R98 WeakPolarHBondContact CA-O 2.81Å; F81-R98 PolarHBondContact N-O 2.73Å; F81-R98 VanDerWaalsContact N-O 3.11Å; R98-F100 HydrophobicContact CB-CE2 3.65Å; R98-F100 HydrophobicContact CB-CZ 3.95Å; R98-F100 HydrophobicContact CG-CD2 4.48Å; R98-F100 HydrophobicContact CG-CE1 4.37Å; R98-F100 HydrophobicContact CG-CE2 3.73Å; R98-F100 HydrophobicContact CG-CZ 3.62Å
99	T	55.6	Low	57.4	Low	47 Å²	47	108.9 Å²	108.9	29%	0.288	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.8	173.7	-59.2	0	0	0	0	108.7	K78 I79 H80 F101	K78-T99 HydrophobicContact CD-CG2 3.89Å; K78-T99 HydrophobicContact CG-CG2 3.44Å; K78-T99 VanDerWaalsContact CG-CG2 3.44Å; I79-T99 CarbonylContact O-C 3.54Å; I79-T99 WeakPolarHBondContact O-CA 3.32Å; H80-T99 PolarHBondContact CE1-OG1 3.03Å; H80-T99 PolarHBondContact ND1-OG1 3.19Å; H80-T99 VanDerWaalsContact ND1-OG1 3.16Å; T99-F101 HydrophobicContact CG2-CE2 4.49Å
100	F	63.6	Low	57.6	Low	52 Å²	52	107.2 Å²	107.2	23%	0.228	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.3	174.2	-65.4	-86.7	0	0	0	110.4	I52 K78 I79 F81 R98	I52-F100 HydrophobicContact CD1-CE1 4.06Å; I52-F100 HydrophobicContact CD1-CE2 3.46Å; I52-F100 VanDerWaalsContact CD1-CE2 3.46Å; I52-F100 HydrophobicContact CD1-CZ 3.11Å; I52-F100 HydrophobicContact CG1-CE2 4.43Å; I52-F100 HydrophobicContact CG1-CZ 3.84Å; K78-F100 CarbonylContact C-O 3.51Å; K78-F100 WeakPolarHBondContact CA-O 3.23Å; I79-F100 HydrophobicContact CB-CB 4.46Å; I79-F100 PolarHBondContact N-O 2.79Å; I79-F100 PolarHBondContact O-N 3.09Å; F81-F100 AromaticContact CD2-CD2 3.62Å; F81-F100 HydrophobicContact CD2-CD2 3.62Å; F81-F100 AromaticContact CD2-CE2 3.59Å; F81-F100 HydrophobicContact CD2-CE2 3.59Å; F81-F100 AromaticContact CE2-CD2 3.38Å; F81-F100 HydrophobicContact CE2-CD2 3.38Å; F81-F100 AromaticContact CE2-CE2 3.61Å; F81-F100 HydrophobicContact CE2-CE2 3.61Å; F81-F100 HydrophobicContact CE2-CG 4.41Å; R98-F100 HydrophobicContact CB-CE2 3.65Å; R98-F100 HydrophobicContact CB-CZ 3.95Å; R98-F100 HydrophobicContact CG-CD2 4.48Å; R98-F100 HydrophobicContact CG-CE1 4.37Å; R98-F100 HydrophobicContact CG-CE2 3.73Å; R98-F100 HydrophobicContact CG-CZ 3.62Å
101	F	54.8	Low	57.7	Low	126 Å²	126	101.7 Å²	101.7	55%	0.553	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	115.6	169.5	-61	-86.7	0	0	0	107.6	V76 E77 K78 T99	V76-F101 HydrophobicContact CG1-CB 4.05Å; V76-F101 HydrophobicContact CG1-CD1 3.76Å; V76-F101 HydrophobicContact CG1-CG 4.4Å; E77-F101 CarbonylContact O-C 3.47Å; E77-F101 WeakPolarHBondContact O-CA 3.35Å; K78-F101 HydrophobicContact CB-CD1 4.34Å; K78-F101 HydrophobicContact CB-CE1 4.38Å; K78-F101 HydrophobicContact CD-CE1 3.78Å; K78-F101 HydrophobicContact CD-CZ 4.2Å; K78-F101 HydrophobicContact CG-CD1 4.16Å; K78-F101 HydrophobicContact CG-CE1 3.89Å; K78-F101 HydrophobicContact CG-CZ 4.41Å; T99-F101 HydrophobicContact CG2-CE2 4.49Å
102	R	59.5	Low	57.9	Low	65 Å²	65	99.4 Å²	99.4	25%	0.245	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.7	166.1	177.7	-164.3	-177.7	164	5.1	106.5	T31 V76 E77 I79	T31-R102 PolarHBondContact OG1-NH1 2.92Å; V76-R102 CarbonylContact C-O 3.54Å; V76-R102 VanDerWaalsContact CA-O 3.22Å; V76-R102 WeakPolarHBondContact CA-O 3.41Å; E77-R102 HydrophobicContact CB-CB 4.15Å; E77-R102 PolarHBondContact N-O 3.23Å; E77-R102 PolarHBondContact O-N 3.36Å; E77-R102 WeakPolarHBondContact OE2-CD 3.43Å; E77-R102 IonicContact OE2-CZ 3.61Å; E77-R102 IonicContact OE2-NE 3.67Å; E77-R102 IonicContact OE2-NH1 2.89Å; E77-R102 PolarHBondContact OE2-NH1 2.73Å; I79-R102 HydrophobicContact CD1-CB 4.23Å
103	I	59.3	Low	58	Low	130 Å²	130	99.9 Å²	99.9	67%	0.667	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	131.3	171.5	-55.2	174.2	0	0	0	106.7	S75 V76	S75-I103 CarbonylContact O-C 3.56Å; S75-I103 VanDerWaalsContact O-CA 3.23Å; S75-I103 WeakPolarHBondContact O-CA 3.17Å; V76-I103 HydrophobicContact CG2-CG1 4.39Å
104	N	56.1	Low	58.2	Low	144 Å²	144	98 Å²	98	77%	0.77	46%	0.455	S	S	*	.			trans	-68.5	0	175.1	-77.7	-21.6	0	0	0	111.9	D74 S75	D74-N104 PolarHBondContact O-ND2 3.13Å; S75-N104 PolarHBondContact O-N 2.74Å

Retrieved 104 of 104 residues in 162.7 ms (Link to these results)

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