A0A077ZES0_TRITR Loading...

E1 DerP2 DerF2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZES0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	69.1	Low	239 Å²	239	108.6 Å²	108.6	100%	1.177	56%	0.56	S	S	*	*				0	106.6	0	-106.9	170.5	180	0	0	107.7
2	Y	29.9	Very low	71.1	Confident	245 Å²	245	106.5 Å²	106.5	96%	0.961	55%	0.55	S	S	*	.			trans	-82.5	118.1	173.2	-85.9	-93.3	0	0	0	108.2
3	V	44.3	Very low	72.6	Confident	97 Å²	97	101.7 Å²	101.7	59%	0.588	53%	0.53	S	S	*	.			trans	-111.8	110.5	165.5	-165.7	0	0	0	0	105	G5	V3-G5 PolarHBondContact O-N 3.11Å
4	G	49.3	Very low	73.9	Confident	81 Å²	81	97.7 Å²	97.7	84%	0.835	53%	0.526	S	S	*	.			trans	-70.2	63.7	-167.2	0	0	0	0	0	115.2
5	G	58.6	Low	75.1	Confident	20 Å²	20	92.5 Å²	92.5	21%	0.206	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-96.1	148	164.2	0	0	0	0	0	111.7	V3	V3-G5 PolarHBondContact O-N 3.11Å
6	Q	75.8	Confident	76	Confident	88 Å²	88	94.4 Å²	94.4	41%	0.411	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.2	165.8	-71.5	-169.7	-13.8	0	0	109.2	Q23 L24 C27	Q6-Q23 WeakPolarHBondContact O-CA 3.28Å; Q6-Q23 WeakPolarHBondContact O-CB 3.36Å; Q6-L24 PolarHBondContact O-N 2.89Å; Q6-C27 HydrophobicContact CB-CB 4.47Å; Q6-C27 PolarHBondContact OE1-O 3.47Å
7	Y	91.3	Very high	76.8	Confident	142 Å²	142	89.2 Å²	89.2	56%	0.557	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	130.9	167.9	-65.1	-77.6	0	0	0	108.8	V22 Q23 P30	Y7-V22 WeakPolarHBondContact CA-O 3.13Å; Y7-Q23 HydrophobicContact CD1-CG 3.62Å; Y7-Q23 HydrophobicContact CE1-CG 3.8Å; Y7-Q23 VanDerWaalsContact CE1-NE2 3.33Å; Y7-Q23 HydrophobicContact CG-CG 4.3Å; Y7-P30 WeakPolarHBondContact O-CB 3.29Å
8	V	93.8	Very high	77.6	Confident	10 Å²	10	89.5 Å²	89.5	6%	0.061	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-96.7	152.9	179.4	-57.3	0	0	0	0	110.5	V22 L24 C27 P30 C33 M128	V8-V22 HydrophobicContact CG2-CB 3.78Å; V8-V22 HydrophobicContact CG2-CG1 3.53Å; V8-V22 PolarHBondContact N-O 3.38Å; V8-L24 HydrophobicContact CG1-CB 3.75Å; V8-C27 HydrophobicContact CG1-CB 4.46Å; V8-P30 CarbonylContact C-O 3.37Å; V8-P30 WeakPolarHBondContact CA-O 3.48Å; V8-C33 WeakPolarHBondContact CG1-SG 3.36Å; V8-M128 HydrophobicContact CG2-SD 4.24Å
9	Q	94.9	Very high	78.5	Confident	134 Å²	134	85.3 Å²	85.3	63%	0.626	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-72.5	130.3	165.7	-64	-173.5	2.3	0	0	108.8	P30	Q9-P30 PolarHBondContact N-O 3.22Å
10	Y	94.2	Very high	79.3	Confident	78 Å²	78	84.6 Å²	84.6	31%	0.306	45%	0.449	S	S	.	.			trans	-142.2	159.5	178.7	71.1	-83	0	0	0	110.1	V19 V22 V126 R127	Y10-V19 HydrophobicContact CE2-CB 4.22Å; Y10-V19 HydrophobicContact CE2-CG1 3.69Å; Y10-V19 PolarHBondContact OH-O 3.36Å; Y10-V22 HydrophobicContact CD1-CB 3.83Å; Y10-V22 HydrophobicContact CD1-CG2 3.57Å; Y10-V22 HydrophobicContact CD2-CG2 3.94Å; Y10-V22 HydrophobicContact CE1-CB 4.24Å; Y10-V22 HydrophobicContact CE1-CG2 3.8Å; Y10-V22 HydrophobicContact CE2-CG2 4.13Å; Y10-V22 HydrophobicContact CG-CB 4.22Å; Y10-V22 HydrophobicContact CG-CG2 3.66Å; Y10-V126 HydrophobicContact CD2-CB 4.05Å; Y10-V126 HydrophobicContact CD2-CG1 3.71Å; Y10-V126 HydrophobicContact CE2-CG1 4.03Å; Y10-R127 CarbonylContact C-O 3.59Å; Y10-R127 WeakPolarHBondContact CA-O 3.42Å
11	S	94.9	Very high	80	Confident	61 Å²	61	81.1 Å²	81.1	43%	0.427	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.6	166.5	53.2	0	0	0	0	109.1	V126 R127	S11-V126 WeakPolarHBondContact O-CA 3.45Å; S11-R127 PolarHBondContact N-O 3.22Å; S11-R127 PolarHBondContact O-N 2.74Å; S11-R127 PolarHBondContact OG-O 2.95Å
12	N	93.8	Very high	82.9	Confident	83 Å²	83	69.8 Å²	69.8	44%	0.444	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.1	168.8	-173.8	-25.6	0	0	0	108.3	G14 S15 C125	N12-G14 PolarHBondContact OD1-N 2.92Å; N12-G14 VanDerWaalsContact OD1-N 3.08Å; N12-S15 PolarHBondContact ND2-OG 3.33Å; N12-S15 WeakPolarHBondContact OD1-CB 3.4Å; N12-S15 PolarHBondContact OD1-N 2.74Å; N12-S15 PolarHBondContact OD1-OG 2.91Å; N12-C125 PolarHBondContact OD1-O 3.3Å
13	C	90.7	Very high	86	Confident	44 Å²	44	58.9 Å²	58.9	30%	0.297	33%	0.333	S	S	.	.	S	Bend	trans	-109.5	16.2	-174.9	52.2	0	0	0	0	114.7	C125 V126 R127	C13-C125 VanDerWaalsContact C-SG 3.53Å; C13-C125 HydrophobicContact CB-CB 4.18Å; C13-C125 WeakPolarHBondContact CB-SG 3.48Å; C13-C125 PolarHBondContact N-O 2.8Å; C13-C125 PolarHBondContact O-SG 2.87Å; C13-C125 VanDerWaalsContact SG-CA 3.58Å; C13-C125 WeakPolarHBondContact SG-CB 3.45Å; C13-C125 PolarHBondContact SG-O 3.08Å; C13-C125 VanDerWaalsContact SG-O 3.35Å; C13-C125 CovalentContact SG-SG 2.04Å; C13-C125 PolarHBondContact SG-SG 2.82Å; C13-V126 VanDerWaalsContact SG-C 3.54Å; C13-V126 PolarHBondContact SG-N 3.37Å; C13-R127 HydrophobicContact CB-CB 4.46Å
14	G	90.4	Very high	88.2	Confident	46 Å²	46	54.4 Å²	54.4	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	135.4	21.4	178.9	0	0	0	0	0	115.2	N12 R16	N12-G14 PolarHBondContact OD1-N 2.92Å; N12-G14 VanDerWaalsContact OD1-N 3.08Å; G14-R16 PolarHBondContact O-N 2.81Å
15	S	91.5	Very high	90.3	Very high	20 Å²	20	52.7 Å²	52.7	14%	0.14	28%	0.279	C	S	.	.			trans	-62.9	128.9	-178	-49.4	0	0	0	0	111.5	N12 G17 V19 C125	N12-S15 PolarHBondContact ND2-OG 3.33Å; N12-S15 WeakPolarHBondContact OD1-CB 3.4Å; N12-S15 PolarHBondContact OD1-N 2.74Å; N12-S15 PolarHBondContact OD1-OG 2.91Å; S15-G17 VanDerWaalsContact CB-O 3.29Å; S15-G17 WeakPolarHBondContact CB-O 3.35Å; S15-V19 WeakPolarHBondContact OG-CG2 3.29Å; S15-C125 PolarHBondContact OG-N 2.85Å; S15-C125 PolarHBondContact OG-O 3.12Å
16	R	90.3	Very high	91.8	Very high	122 Å²	122	55.2 Å²	55.2	46%	0.46	29%	0.292	S	S	.	.	S	Bend	trans	-76.9	-24.6	166.2	-64.8	173.4	65.2	94.4	3.4	112.5	G14 S50 E122 L123	G14-R16 PolarHBondContact O-N 2.81Å; R16-S50 VanDerWaalsContact C-OG 3.26Å; R16-S50 WeakPolarHBondContact O-CB 3.43Å; R16-S50 PolarHBondContact O-OG 2.82Å; R16-E122 WeakPolarHBondContact CG-O 3.32Å; R16-E122 PolarHBondContact N-O 3.17Å; R16-L123 PolarHBondContact N-O 3.48Å
17	G	88.3	Confident	92.6	Very high	6 Å²	6	51.8 Å²	51.8	6%	0.062	28%	0.278	C	S	.	.	S	Bend	trans	-87.1	163.3	171.3	0	0	0	0	0	111.6	S15 V19 I48 L123	S15-G17 VanDerWaalsContact CB-O 3.29Å; S15-G17 WeakPolarHBondContact CB-O 3.35Å; G17-V19 PolarHBondContact O-N 3.4Å; G17-I48 CarbonylContact C-O 3.53Å; G17-I48 VanDerWaalsContact CA-O 3.29Å; G17-I48 WeakPolarHBondContact CA-O 3.29Å; G17-L123 WeakPolarHBondContact CA-O 3.21Å; G17-L123 PolarHBondContact N-O 2.92Å
18	N	92.5	Very high	92.5	Very high	95 Å²	95	49.8 Å²	49.8	51%	0.508	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.6	175.3	-175	20.3	0	0	0	109.9	F47 I48	N18-F47 CarbonylContact O-C 3.44Å; N18-F47 WeakPolarHBondContact O-CA 3.24Å; N18-F47 VanDerWaalsContact O-CB 3.31Å; N18-F47 WeakPolarHBondContact O-CB 3.31Å; N18-I48 HydrophobicContact CB-CB 4.25Å; N18-I48 PolarHBondContact N-O 3.38Å; N18-I48 PolarHBondContact O-N 3.48Å
19	V	93.7	Very high	92.4	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.5	175.7	-174.9	0	0	0	0	109.1	Y10 S15 G17 V22 I45 V124 V126	Y10-V19 HydrophobicContact CE2-CB 4.22Å; Y10-V19 HydrophobicContact CE2-CG1 3.69Å; Y10-V19 PolarHBondContact OH-O 3.36Å; S15-V19 WeakPolarHBondContact OG-CG2 3.29Å; G17-V19 PolarHBondContact O-N 3.4Å; V19-V22 HydrophobicContact CG1-CG2 4.09Å; V19-I45 HydrophobicContact CG1-CG2 4.07Å; V19-V124 HydrophobicContact CG2-CG1 3.89Å; V19-V124 HydrophobicContact CG2-CG2 4.46Å; V19-V126 HydrophobicContact CB-CG1 4.49Å; V19-V126 HydrophobicContact CG1-CG1 3.92Å; V19-V126 HydrophobicContact CG2-CG1 4.06Å
20	L	94.4	Very high	92.4	Very high	72 Å²	72	48.2 Å²	48.2	38%	0.377	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-44.2	-179	-56.8	179.9	0	0	0	111.1	Q46 I48 V91	L20-Q46 HydrophobicContact CB-CB 4.31Å; L20-Q46 WeakPolarHBondContact CB-O 3.28Å; L20-Q46 PolarHBondContact N-O 2.94Å; L20-I48 HydrophobicContact CD1-CD1 4.35Å; L20-I48 HydrophobicContact CD1-CG1 4.07Å; L20-I48 HydrophobicContact CD2-CD1 4.36Å; L20-I48 HydrophobicContact CG-CG1 4.45Å; L20-V91 HydrophobicContact CD1-CB 4.41Å; L20-V91 HydrophobicContact CD1-CG1 3.86Å; L20-V91 HydrophobicContact CD1-CG2 3.72Å
21	S	94.8	Very high	92.3	Very high	12 Å²	12	46.7 Å²	46.7	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	154.1	-179	69.5	0	0	0	0	112.5	I45 Q46	S21-I45 WeakPolarHBondContact O-CA 3.33Å; S21-Q46 PolarHBondContact N-O 3.28Å; S21-Q46 PolarHBondContact O-N 2.98Å; S21-Q46 WeakPolarHBondContact OG-CB 3.48Å; S21-Q46 PolarHBondContact OG-OE1 3.35Å
22	V	94	Very high	92.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.1	173	-175	0	0	0	0	107.6	Y7 V8 Y10 V19 L43 I44 I45 V126 M128	Y7-V22 WeakPolarHBondContact CA-O 3.13Å; V8-V22 HydrophobicContact CG2-CB 3.78Å; V8-V22 HydrophobicContact CG2-CG1 3.53Å; V8-V22 PolarHBondContact N-O 3.38Å; Y10-V22 HydrophobicContact CD1-CB 3.83Å; Y10-V22 HydrophobicContact CD1-CG2 3.57Å; Y10-V22 HydrophobicContact CD2-CG2 3.94Å; Y10-V22 HydrophobicContact CE1-CB 4.24Å; Y10-V22 HydrophobicContact CE1-CG2 3.8Å; Y10-V22 HydrophobicContact CE2-CG2 4.13Å; Y10-V22 HydrophobicContact CG-CB 4.22Å; Y10-V22 HydrophobicContact CG-CG2 3.66Å; V19-V22 HydrophobicContact CG1-CG2 4.09Å; V22-L43 HydrophobicContact CG1-CD1 3.67Å; V22-I44 CarbonylContact C-O 3.52Å; V22-I44 WeakPolarHBondContact CA-O 3.46Å; V22-I45 HydrophobicContact CG1-CG1 4.32Å; V22-I45 HydrophobicContact CG2-CG1 4.4Å; V22-V126 HydrophobicContact CG2-CB 4.31Å; V22-V126 HydrophobicContact CG2-CG1 3.94Å; V22-V126 HydrophobicContact CG2-CG2 4.26Å; V22-M128 HydrophobicContact CG1-CE 4.03Å
23	Q	94.3	Very high	92.2	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.4	172.4	-51.2	174.3	25.9	0	0	109.7	Q6 Y7 I44	Q6-Q23 WeakPolarHBondContact O-CA 3.28Å; Q6-Q23 WeakPolarHBondContact O-CB 3.36Å; Y7-Q23 HydrophobicContact CD1-CG 3.62Å; Y7-Q23 HydrophobicContact CE1-CG 3.8Å; Y7-Q23 VanDerWaalsContact CE1-NE2 3.33Å; Y7-Q23 HydrophobicContact CG-CG 4.3Å; Q23-I44 HydrophobicContact CB-CB 4.18Å; Q23-I44 PolarHBondContact N-O 2.95Å; Q23-I44 PolarHBondContact O-N 3.05Å
24	L	91.3	Very high	92.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.9	173.2	-171.2	72.6	0	0	0	109.2	Q6 V8 P26 C27 C33 L35 R42 L43 F98	Q6-L24 PolarHBondContact O-N 2.89Å; V8-L24 HydrophobicContact CG1-CB 3.75Å; L24-P26 CarbonylContact O-C 3.56Å; L24-C27 HydrophobicContact CB-CB 4.29Å; L24-C27 WeakPolarHBondContact O-CB 3.29Å; L24-C27 PolarHBondContact O-N 3.09Å; L24-C33 HydrophobicContact CD2-CB 3.67Å; L24-L35 HydrophobicContact CD2-CD2 3.81Å; L24-R42 CarbonylContact C-O 3.51Å; L24-R42 WeakPolarHBondContact CA-O 3.14Å; L24-L43 HydrophobicContact CD1-CB 4.48Å; L24-L43 HydrophobicContact CD1-CD1 4.44Å; L24-F98 HydrophobicContact CD1-CE1 3.88Å; L24-F98 HydrophobicContact CD1-CZ 3.71Å
25	V	91.9	Very high	92.3	Very high	46 Å²	46	39.1 Å²	39.1	28%	0.279	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.4	-177.2	-170.4	0	0	0	0	110.5	S41 R42	V25-S41 CarbonylContact O-C 3.56Å; V25-S41 VanDerWaalsContact O-CA 3.29Å; V25-S41 WeakPolarHBondContact O-CA 3.32Å; V25-R42 HydrophobicContact CB-CB 4.32Å; V25-R42 PolarHBondContact N-O 2.9Å; V25-R42 PolarHBondContact O-N 3.34Å
26	P	91.8	Very high	92.3	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	22%	0.215	S	C	.	.	S	Bend	cis	-68.9	157	-11.6	32	-35.3	0	0	0	111.6	L24	L24-P26 CarbonylContact O-C 3.56Å
27	C	90.9	Very high	92.3	Very high	16 Å²	16	35.7 Å²	35.7	11%	0.108	20%	0.203	C	C	.	.			trans	-144.5	131.8	164.5	178.6	0	0	0	0	108	Q6 V8 L24 D29 C33	Q6-C27 HydrophobicContact CB-CB 4.47Å; Q6-C27 PolarHBondContact OE1-O 3.47Å; V8-C27 HydrophobicContact CG1-CB 4.46Å; L24-C27 HydrophobicContact CB-CB 4.29Å; L24-C27 WeakPolarHBondContact O-CB 3.29Å; L24-C27 PolarHBondContact O-N 3.09Å; C27-D29 PolarHBondContact SG-O 3.28Å; C27-C33 HydrophobicContact CB-CB 3.81Å; C27-C33 WeakPolarHBondContact CB-SG 3.46Å; C27-C33 WeakPolarHBondContact SG-CB 3.41Å; C27-C33 CovalentContact SG-SG 2.04Å; C27-C33 PolarHBondContact SG-SG 3.26Å
28	D	90.6	Very high	92.3	Very high	100 Å²	100	36.7 Å²	36.7	54%	0.535	21%	0.213	S	C	.	.	S	Bend	trans	-101.8	-34.4	-177.9	54.5	-27.3	0	0	0	112.5	T34	D28-T34 VanDerWaalsContact CG-OG1 3.31Å; D28-T34 PolarHBondContact OD1-N 3.34Å; D28-T34 PolarHBondContact OD1-OG1 3.35Å; D28-T34 PolarHBondContact OD2-OG1 2.94Å
29	D	92.2	Very high	92.2	Very high	65 Å²	65	36.6 Å²	36.6	35%	0.348	21%	0.208	S	C	.	.			trans	-126.7	112.3	173.3	179.5	-11.5	0	0	0	110	C27 S31 N32 C33	C27-D29 PolarHBondContact SG-O 3.28Å; D29-S31 PolarHBondContact O-N 3.36Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.04Å; D29-S31 PolarHBondContact OD1-OG 2.99Å; D29-S31 PolarHBondContact OD2-OG 2.71Å; D29-N32 CarbonylContact O-C 3.56Å; D29-N32 PolarHBondContact O-N 2.86Å; D29-C33 WeakPolarHBondContact O-CA 3.16Å; D29-C33 PolarHBondContact O-N 3.41Å; D29-C33 PolarHBondContact O-SG 2.87Å; D29-C33 VanDerWaalsContact O-SG 3.39Å
30	P	93.3	Very high	92	Very high	46 Å²	46	41.3 Å²	41.3	30%	0.299	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.2	177.3	-31.8	38.8	0	0	0	115.5	Y7 V8 Q9	Y7-P30 WeakPolarHBondContact O-CB 3.29Å; V8-P30 CarbonylContact C-O 3.37Å; V8-P30 WeakPolarHBondContact CA-O 3.48Å; Q9-P30 PolarHBondContact N-O 3.22Å
31	S	93.5	Very high	91.7	Very high	45 Å²	45	38.1 Å²	38.1	32%	0.315	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.9	-179.6	72.4	0	0	0	0	113.9	D29	D29-S31 PolarHBondContact O-N 3.36Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.04Å; D29-S31 PolarHBondContact OD1-OG 2.99Å; D29-S31 PolarHBondContact OD2-OG 2.71Å
32	N	92.8	Very high	91.5	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	23%	0.231	S	C	.	.	S	Bend	trans	-160.7	58.1	-173.6	-175.3	34.7	0	0	0	112.6	D29 A130 H131	D29-N32 CarbonylContact O-C 3.56Å; D29-N32 PolarHBondContact O-N 2.86Å; N32-A130 VanDerWaalsContact OD1-CA 3.31Å; N32-A130 WeakPolarHBondContact OD1-CA 3.47Å; N32-A130 PolarHBondContact OD1-O 3.44Å; N32-H131 PolarHBondContact ND2-ND1 2.88Å; N32-H131 PolarHBondContact O-CE1 2.77Å; N32-H131 PolarHBondContact O-ND1 3.11Å; N32-H131 VanDerWaalsContact O-ND1 3.08Å; N32-H131 PolarHBondContact OD1-N 3.13Å; N32-H131 PolarHBondContact OD1-ND1 2.79Å
33	C	92.1	Very high	91.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	143	-175.1	-52.8	0	0	0	0	113	V8 L24 C27 D29 L35 A130 H131	V8-C33 WeakPolarHBondContact CG1-SG 3.36Å; L24-C33 HydrophobicContact CD2-CB 3.67Å; C27-C33 HydrophobicContact CB-CB 3.81Å; C27-C33 WeakPolarHBondContact CB-SG 3.46Å; C27-C33 WeakPolarHBondContact SG-CB 3.41Å; C27-C33 CovalentContact SG-SG 2.04Å; C27-C33 PolarHBondContact SG-SG 3.26Å; D29-C33 WeakPolarHBondContact O-CA 3.16Å; D29-C33 PolarHBondContact O-N 3.41Å; D29-C33 PolarHBondContact O-SG 2.87Å; D29-C33 VanDerWaalsContact O-SG 3.39Å; C33-L35 PolarHBondContact O-N 2.99Å; C33-A130 WeakPolarHBondContact O-CA 3.49Å; C33-A130 WeakPolarHBondContact O-CB 3.43Å; C33-H131 PolarHBondContact O-N 3.14Å
34	T	92.1	Very high	91.1	Very high	22 Å²	22	42.2 Å²	42.2	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.5	171	-56.9	0	0	0	0	111.1	D28 V36 H131 D133	D28-T34 VanDerWaalsContact CG-OG1 3.31Å; D28-T34 PolarHBondContact OD1-N 3.34Å; D28-T34 PolarHBondContact OD1-OG1 3.35Å; D28-T34 PolarHBondContact OD2-OG1 2.94Å; T34-V36 HydrophobicContact CG2-CG2 3.89Å; T34-V36 PolarHBondContact O-N 2.99Å; T34-H131 PolarHBondContact OG1-CE1 2.71Å; T34-H131 PolarHBondContact OG1-NE2 2.77Å; T34-D133 HydrophobicContact CG2-CB 4.04Å
35	L	91.2	Very high	91	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	95.5	171.3	-69.6	-179.3	0	0	0	110.1	L24 C33 R37 L62 F98 I100 V109 V111 A130 H131 V132 D133	L24-L35 HydrophobicContact CD2-CD2 3.81Å; C33-L35 PolarHBondContact O-N 2.99Å; L35-R37 PolarHBondContact O-N 3.45Å; L35-L62 HydrophobicContact CD1-CD2 4.29Å; L35-F98 HydrophobicContact CD2-CE2 4.16Å; L35-F98 HydrophobicContact CD2-CZ 4.25Å; L35-I100 HydrophobicContact CB-CD1 4.03Å; L35-I100 HydrophobicContact CB-CG1 3.94Å; L35-I100 HydrophobicContact CD1-CD1 4.08Å; L35-I100 HydrophobicContact CD2-CD1 4.31Å; L35-I100 HydrophobicContact CG-CD1 4.38Å; L35-V109 HydrophobicContact CD1-CG2 4.07Å; L35-V111 HydrophobicContact CD1-CG2 4.06Å; L35-A130 HydrophobicContact CD1-CB 3.69Å; L35-A130 HydrophobicContact CG-CB 3.89Å; L35-H131 WeakPolarHBondContact CB-O 3.48Å; L35-H131 PolarHBondContact N-O 2.81Å; L35-V132 HydrophobicContact CB-CG2 4.26Å; L35-V132 WeakPolarHBondContact O-CA 3.26Å; L35-D133 PolarHBondContact O-N 2.73Å
36	V	91.9	Very high	91	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122	-171.4	-178.4	0	0	0	0	112.5	T34 G38 K39 D133 N135	T34-V36 HydrophobicContact CG2-CG2 3.89Å; T34-V36 PolarHBondContact O-N 2.99Å; V36-G38 PolarHBondContact O-N 2.81Å; V36-K39 HydrophobicContact CB-CB 4.12Å; V36-K39 HydrophobicContact CB-CD 4.13Å; V36-K39 HydrophobicContact CB-CG 4.28Å; V36-K39 HydrophobicContact CG1-CB 4.14Å; V36-K39 HydrophobicContact CG1-CD 3.67Å; V36-K39 HydrophobicContact CG1-CG 3.77Å; V36-K39 PolarHBondContact O-N 2.8Å; V36-K39 VanDerWaalsContact O-N 3.14Å; V36-D133 CarbonylContact C-O 3.44Å; V36-D133 WeakPolarHBondContact CA-O 3.24Å; V36-N135 HydrophobicContact CG1-CB 3.73Å
37	R	90.4	Very high	91	Very high	56 Å²	56	39.4 Å²	39.4	21%	0.211	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	132.6	176.5	-68.2	-167	-61.4	177	-0.6	112.4	L35 K39 I100 L104 K106 V132 D133 D134	L35-R37 PolarHBondContact O-N 3.45Å; R37-K39 PolarHBondContact O-N 2.82Å; R37-I100 HydrophobicContact CG-CG2 4.05Å; R37-L104 WeakPolarHBondContact CD-O 3.38Å; R37-L104 PolarHBondContact NH1-O 3.16Å; R37-K106 VanDerWaalsContact NH2-CE 3.3Å; R37-V132 HydrophobicContact CG-CG1 3.38Å; R37-D133 WeakPolarHBondContact CG-O 3.1Å; R37-D133 PolarHBondContact N-O 3.43Å; R37-D134 IonicContact CZ-OD1 2.63Å; R37-D134 IonicContact CZ-OD2 2.71Å; R37-D134 IonicContact NE-OD1 2.79Å; R37-D134 PolarHBondContact NE-OD1 2.82Å; R37-D134 IonicContact NH2-OD1 3.44Å; R37-D134 PolarHBondContact NH2-OD1 3.19Å; R37-D134 IonicContact NH2-OD2 3.17Å; R37-D134 PolarHBondContact NH2-OD2 3.02Å
38	G	89.6	Confident	90.9	Very high	27 Å²	27	40.8 Å²	40.8	28%	0.278	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	5.5	-179.3	0	0	0	0	0	114.9	V36 I100	V36-G38 PolarHBondContact O-N 2.81Å; G38-I100 WeakPolarHBondContact CA-O 3.38Å; G38-I100 PolarHBondContact N-O 3.4Å
39	K	90.2	Very high	90.6	Very high	92 Å²	92	36.1 Å²	36.1	40%	0.4	19%	0.188	S	C	.	.	S	Bend	trans	-111.1	154.7	176.1	-67.3	-163.4	-178.2	179.1	0	111.5	V36 R37 I100 N135	V36-K39 HydrophobicContact CB-CB 4.12Å; V36-K39 HydrophobicContact CB-CD 4.13Å; V36-K39 HydrophobicContact CB-CG 4.28Å; V36-K39 HydrophobicContact CG1-CB 4.14Å; V36-K39 HydrophobicContact CG1-CD 3.67Å; V36-K39 HydrophobicContact CG1-CG 3.77Å; V36-K39 PolarHBondContact O-N 2.8Å; V36-K39 VanDerWaalsContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 2.82Å; K39-I100 PolarHBondContact O-N 3.18Å; K39-N135 PolarHBondContact NZ-ND2 2.85Å; K39-N135 PolarHBondContact NZ-OD1 3.14Å
40	N	89.1	Confident	90.1	Very high	109 Å²	109	35.6 Å²	35.6	58%	0.583	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.9	171.4	-70.1	-19.2	0	0	0	109.8	F98 I99	N40-F98 CarbonylContact C-O 3.58Å; N40-F98 WeakPolarHBondContact CA-O 3.14Å; N40-I99 WeakPolarHBondContact OD1-CB 3.31Å
41	S	88.5	Confident	89.1	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.2	166.6	-62.8	0	0	0	0	108.7	V25 D97 F98	V25-S41 CarbonylContact O-C 3.56Å; V25-S41 VanDerWaalsContact O-CA 3.29Å; V25-S41 WeakPolarHBondContact O-CA 3.32Å; S41-D97 CarbonylContact O-C 3.6Å; S41-D97 WeakPolarHBondContact O-CA 3.26Å; S41-F98 PolarHBondContact N-O 2.78Å; S41-F98 WeakPolarHBondContact O-CD1 3.48Å; S41-F98 PolarHBondContact O-N 2.85Å
42	R	89.5	Confident	87.9	Confident	103 Å²	103	35.3 Å²	35.3	39%	0.389	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.3	175.9	-178.8	174.8	-63.4	162.6	3.2	110.2	L24 V25 I44 T96 D97	L24-R42 CarbonylContact C-O 3.51Å; L24-R42 WeakPolarHBondContact CA-O 3.14Å; V25-R42 HydrophobicContact CB-CB 4.32Å; V25-R42 PolarHBondContact N-O 2.9Å; V25-R42 PolarHBondContact O-N 3.34Å; R42-I44 HydrophobicContact CG-CD1 4.45Å; R42-I44 HydrophobicContact CG-CG1 3.99Å; R42-T96 CarbonylContact C-O 3.57Å; R42-T96 WeakPolarHBondContact CA-O 3.48Å; R42-D97 IonicContact CZ-OD1 3.1Å; R42-D97 IonicContact NE-OD1 2.71Å; R42-D97 PolarHBondContact NE-OD1 2.81Å; R42-D97 IonicContact NH2-OD1 3.75Å; R42-D97 PolarHBondContact NH2-OD1 3.15Å; R42-D97 VanDerWaalsContact NH2-OD1 3.17Å
43	L	89.4	Confident	86.2	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130	171.4	-179.7	65.8	0	0	0	109.2	V22 L24 I45 E95 T96 F98 F113 M128	V22-L43 HydrophobicContact CG1-CD1 3.67Å; L24-L43 HydrophobicContact CD1-CB 4.48Å; L24-L43 HydrophobicContact CD1-CD1 4.44Å; L43-I45 HydrophobicContact CD1-CG1 4.29Å; L43-I45 HydrophobicContact CD2-CD1 4.06Å; L43-I45 HydrophobicContact CD2-CG1 4.45Å; L43-I45 HydrophobicContact CG-CD1 4.24Å; L43-I45 HydrophobicContact CG-CG1 4.08Å; L43-E95 WeakPolarHBondContact O-CA 3.21Å; L43-T96 HydrophobicContact CB-CG2 4.14Å; L43-T96 PolarHBondContact N-O 3.48Å; L43-T96 PolarHBondContact O-N 2.93Å; L43-F98 HydrophobicContact CB-CE1 4.02Å; L43-F113 HydrophobicContact CD2-CB 4.03Å; L43-F113 HydrophobicContact CD2-CD1 4.17Å; L43-F113 HydrophobicContact CD2-CD2 3.26Å; L43-F113 HydrophobicContact CD2-CE2 3.7Å; L43-F113 HydrophobicContact CD2-CG 3.54Å; L43-F113 HydrophobicContact CD2-CZ 4.33Å; L43-M128 HydrophobicContact CD1-CE 3.73Å
44	I	90.6	Very high	84.6	Confident	7 Å²	7	37 Å²	37	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.1	177.5	-53.7	173.7	0	0	0	107.3	V22 Q23 R42 T93 F94 E95	V22-I44 CarbonylContact C-O 3.52Å; V22-I44 WeakPolarHBondContact CA-O 3.46Å; Q23-I44 HydrophobicContact CB-CB 4.18Å; Q23-I44 PolarHBondContact N-O 2.95Å; Q23-I44 PolarHBondContact O-N 3.05Å; R42-I44 HydrophobicContact CG-CD1 4.45Å; R42-I44 HydrophobicContact CG-CG1 3.99Å; I44-T93 HydrophobicContact CG2-CG2 3.67Å; I44-F94 CarbonylContact C-O 3.59Å; I44-F94 WeakPolarHBondContact CA-O 3.47Å; I44-E95 HydrophobicContact CB-CG 4.41Å; I44-E95 HydrophobicContact CG1-CG 4.07Å; I44-E95 HydrophobicContact CG2-CG 4.04Å
45	I	90.4	Very high	82.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.2	178.8	-56.4	179.6	0	0	0	108.8	V19 S21 V22 L43 F47 T93 F94 F113 V124 V126	V19-I45 HydrophobicContact CG1-CG2 4.07Å; S21-I45 WeakPolarHBondContact O-CA 3.33Å; V22-I45 HydrophobicContact CG1-CG1 4.32Å; V22-I45 HydrophobicContact CG2-CG1 4.4Å; L43-I45 HydrophobicContact CD1-CG1 4.29Å; L43-I45 HydrophobicContact CD2-CD1 4.06Å; L43-I45 HydrophobicContact CD2-CG1 4.45Å; L43-I45 HydrophobicContact CG-CD1 4.24Å; L43-I45 HydrophobicContact CG-CG1 4.08Å; I45-F47 HydrophobicContact CG2-CD1 4.07Å; I45-T93 WeakPolarHBondContact O-CA 3.46Å; I45-F94 PolarHBondContact N-O 3.43Å; I45-F94 PolarHBondContact O-N 3.34Å; I45-F113 HydrophobicContact CD1-CD1 3.34Å; I45-F113 HydrophobicContact CD1-CE1 3.46Å; I45-F113 VanDerWaalsContact CD1-CE1 3.46Å; I45-F113 HydrophobicContact CD1-CG 4.14Å; I45-F113 HydrophobicContact CD1-CZ 4.32Å; I45-V124 HydrophobicContact CD1-CG1 4.13Å; I45-V124 HydrophobicContact CG2-CG1 4.25Å; I45-V126 HydrophobicContact CD1-CG2 4.03Å
46	Q	91.5	Very high	80.9	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.29	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131	166.5	-64.5	-178.1	-19.7	0	0	109.6	L20 S21 V91 V92 T93	L20-Q46 HydrophobicContact CB-CB 4.31Å; L20-Q46 WeakPolarHBondContact CB-O 3.28Å; L20-Q46 PolarHBondContact N-O 2.94Å; S21-Q46 PolarHBondContact N-O 3.28Å; S21-Q46 PolarHBondContact O-N 2.98Å; S21-Q46 WeakPolarHBondContact OG-CB 3.48Å; S21-Q46 PolarHBondContact OG-OE1 3.35Å; Q46-V91 HydrophobicContact CB-CG1 4.43Å; Q46-V92 WeakPolarHBondContact CA-O 3.26Å; Q46-T93 HydrophobicContact CG-CG2 4.16Å
47	F	90.9	Very high	78.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168.1	179.3	68.3	-80.6	0	0	0	111.4	N18 I45 P49 L54 V83 V92 F94 L115 L123 V124	N18-F47 CarbonylContact O-C 3.44Å; N18-F47 WeakPolarHBondContact O-CA 3.24Å; N18-F47 VanDerWaalsContact O-CB 3.31Å; N18-F47 WeakPolarHBondContact O-CB 3.31Å; I45-F47 HydrophobicContact CG2-CD1 4.07Å; F47-P49 HydrophobicContact CE2-CB 4.04Å; F47-L54 HydrophobicContact CE2-CD1 4.39Å; F47-L54 HydrophobicContact CZ-CD1 4.02Å; F47-V83 HydrophobicContact CZ-CG1 4.19Å; F47-V92 HydrophobicContact CD1-CG2 3.85Å; F47-V92 HydrophobicContact CD2-CG2 4.02Å; F47-V92 HydrophobicContact CE1-CG2 3.48Å; F47-V92 VanDerWaalsContact CE1-CG2 3.48Å; F47-V92 HydrophobicContact CE2-CG2 3.65Å; F47-V92 HydrophobicContact CG-CG2 4.11Å; F47-V92 HydrophobicContact CZ-CG2 3.37Å; F47-V92 PolarHBondContact N-O 3.25Å; F47-V92 PolarHBondContact O-N 3.42Å; F47-F94 HydrophobicContact CE1-CB 3.89Å; F47-L115 HydrophobicContact CE1-CD2 3.93Å; F47-L115 HydrophobicContact CE2-CD2 4.22Å; F47-L115 HydrophobicContact CZ-CD2 3.44Å; F47-L115 VanDerWaalsContact CZ-CD2 3.44Å; F47-L123 HydrophobicContact CE2-CD2 3.64Å; F47-L123 HydrophobicContact CE2-CG 4.12Å; F47-L123 HydrophobicContact CZ-CD2 4.29Å; F47-V124 HydrophobicContact CB-CG2 4.21Å; F47-V124 HydrophobicContact CD1-CG2 3.85Å; F47-V124 HydrophobicContact CD2-CG2 3.64Å; F47-V124 HydrophobicContact CE1-CG2 4.05Å; F47-V124 HydrophobicContact CE2-CG2 3.88Å; F47-V124 HydrophobicContact CG-CG2 3.63Å; F47-V124 HydrophobicContact CZ-CG2 4.07Å
48	I	88.8	Confident	76.7	Confident	45 Å²	45	45.7 Å²	45.7	23%	0.231	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.4	171.4	-56	175.1	0	0	0	107.7	G17 N18 L20 V91	G17-I48 CarbonylContact C-O 3.53Å; G17-I48 VanDerWaalsContact CA-O 3.29Å; G17-I48 WeakPolarHBondContact CA-O 3.29Å; N18-I48 HydrophobicContact CB-CB 4.25Å; N18-I48 PolarHBondContact N-O 3.38Å; N18-I48 PolarHBondContact O-N 3.48Å; L20-I48 HydrophobicContact CD1-CD1 4.35Å; L20-I48 HydrophobicContact CD1-CG1 4.07Å; L20-I48 HydrophobicContact CD2-CD1 4.36Å; L20-I48 HydrophobicContact CG-CG1 4.45Å; I48-V91 HydrophobicContact CD1-CG2 4.37Å; I48-V91 HydrophobicContact CG1-CG2 4.1Å
49	P	83.6	Confident	74.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.013	24%	0.235	C	C	.	.			trans	-70.9	138.8	179.8	29.3	-32.7	0	0	0	110.6	F47 Q90 V92 L123	F47-P49 HydrophobicContact CE2-CB 4.04Å; P49-Q90 VanDerWaalsContact CD-O 3.28Å; P49-Q90 WeakPolarHBondContact CD-O 3.44Å; P49-V92 HydrophobicContact CG-CG1 4.35Å; P49-L123 HydrophobicContact CB-CD1 4.4Å; P49-L123 HydrophobicContact CB-CD2 3.98Å
50	S	83.2	Confident	73	Confident	55 Å²	55	43.2 Å²	43.2	39%	0.385	23%	0.229	S	C	.	.	S	Bend	trans	-87.1	-17.3	172.6	52.8	0	0	0	0	113.4	R16	R16-S50 VanDerWaalsContact C-OG 3.26Å; R16-S50 WeakPolarHBondContact O-CB 3.43Å; R16-S50 PolarHBondContact O-OG 2.82Å
51	T	72.8	Confident	71.2	Confident	31 Å²	31	40.8 Å²	40.8	19%	0.19	21%	0.214	C	C	.	.	S	Bend	trans	-140.5	156.1	179.5	52.3	0	0	0	0	111.3	D117	T51-D117 PolarHBondContact OG1-OD2 3.43Å
52	L	67.2	Low	69.4	Low	53 Å²	53	40.7 Å²	40.7	28%	0.277	21%	0.213	S	C	.	.	S	Bend	trans	-132.3	160.7	170.6	-75.8	178.7	0	0	0	110.2	K86 W88 Q118	L52-K86 VanDerWaalsContact CD1-O 3.24Å; L52-K86 WeakPolarHBondContact CD1-O 3.25Å; L52-K86 WeakPolarHBondContact CD2-O 3.44Å; L52-W88 HydrophobicContact CD1-CB 4.13Å; L52-W88 HydrophobicContact CG-CB 4.08Å; L52-Q118 VanDerWaalsContact C-NE2 3.3Å; L52-Q118 PolarHBondContact O-NE2 2.95Å
53	P	56.5	Low	67	Low	77 Å²	77	36.6 Å²	36.6	50%	0.5	20%	0.203	S	C	.	.	P	Polyproline II helix	cis	-82.5	152.8	-12.2	31.8	-34.1	0	0	0	112	H55 Q118	P53-H55 PolarHBondContact O-N 2.79Å; P53-Q118 WeakPolarHBondContact O-CB 3.32Å; P53-Q118 PolarHBondContact O-OE1 2.82Å
54	L	60.1	Low	64.8	Low	10 Å²	10	38.9 Å²	38.9	5%	0.052	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-68.1	126.7	169.4	-87.8	164.2	0	0	0	109.7	F47 C77 V83 L115 L116 L123	F47-L54 HydrophobicContact CE2-CD1 4.39Å; F47-L54 HydrophobicContact CZ-CD1 4.02Å; L54-C77 PolarHBondContact O-SG 2.92Å; L54-V83 HydrophobicContact CD1-CB 4.48Å; L54-V83 HydrophobicContact CD1-CG1 3.09Å; L54-V83 HydrophobicContact CG-CG1 4.36Å; L54-L115 HydrophobicContact CD1-CD2 4.09Å; L54-L115 HydrophobicContact CD2-CD2 4Å; L54-L115 HydrophobicContact CD2-CG 4.29Å; L54-L116 VanDerWaalsContact CD2-O 3.28Å; L54-L116 WeakPolarHBondContact CD2-O 3.39Å; L54-L123 HydrophobicContact CD1-CD2 3.65Å; L54-L123 HydrophobicContact CD2-CB 4.35Å; L54-L123 HydrophobicContact CD2-CD2 3.22Å; L54-L123 HydrophobicContact CD2-CG 4.4Å; L54-L123 HydrophobicContact CG-CD2 3.65Å
55	H	52.7	Low	63.1	Low	124 Å²	124	40.4 Å²	40.4	57%	0.574	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-95.4	164.5	165.5	-161.7	45.1	0	0	0	109.9	P53 S57 Q118	P53-H55 PolarHBondContact O-N 2.79Å; H55-S57 PolarHBondContact O-N 2.85Å; H55-Q118 HydrophobicContact CB-CB 3.9Å
56	D	51.4	Low	61	Low	60 Å²	60	46 Å²	46	32%	0.321	28%	0.281	S	S	.	.			trans	-49.8	103.9	-174.9	-93.5	-6.5	0	0	0	112	S75	D56-S75 VanDerWaalsContact CB-CB 3.44Å; D56-S75 WeakPolarHBondContact OD1-CB 3.46Å; D56-S75 PolarHBondContact OD1-OG 2.02Å; D56-S75 VanDerWaalsContact OD1-OG 3.05Å; D56-S75 WeakPolarHBondContact OD2-CB 3.44Å; D56-S75 PolarHBondContact OD2-OG 2.83Å
57	S	49.9	Very low	59.4	Low	2 Å²	2	53.1 Å²	53.1	1%	0.014	31%	0.306	C	S	.	.			trans	-70.2	142.1	177.3	53.4	0	0	0	0	111.6	H55 P59 G76 L115	H55-S57 PolarHBondContact O-N 2.85Å; S57-P59 WeakPolarHBondContact O-CD 2.98Å; S57-G76 PolarHBondContact OG-N 2.81Å; S57-L115 WeakPolarHBondContact OG-CD1 3.38Å
58	T	45.7	Very low	58.1	Low	91 Å²	91	56.1 Å²	56.1	56%	0.558	33%	0.326	S	S	*	.			trans	-108	107.5	163.7	46.2	0	0	0	0	108.6	E60	T58-E60 PolarHBondContact O-N 3.47Å
59	P	49.3	Very low	56.9	Low	9 Å²	9	56.2 Å²	56.2	6%	0.058	33%	0.327	C	S	.	.			trans	-66.9	129.5	176.6	-33.6	44.7	0	0	0	112.2	S57 I73 F113 V114	S57-P59 WeakPolarHBondContact O-CD 2.98Å; P59-I73 HydrophobicContact CB-CB 3.71Å; P59-I73 HydrophobicContact CB-CD1 3.41Å; P59-I73 VanDerWaalsContact CB-CD1 3.41Å; P59-I73 HydrophobicContact CB-CG1 3.91Å; P59-I73 HydrophobicContact CB-CG2 4.24Å; P59-I73 HydrophobicContact CG-CB 3.44Å; P59-I73 VanDerWaalsContact CG-CB 3.44Å; P59-I73 HydrophobicContact CG-CD1 3.93Å; P59-I73 HydrophobicContact CG-CG1 4.16Å; P59-I73 HydrophobicContact CG-CG2 3.56Å; P59-F113 HydrophobicContact CB-CD2 3.76Å; P59-F113 HydrophobicContact CB-CE2 3.56Å; P59-F113 HydrophobicContact CB-CZ 4.45Å; P59-F113 HydrophobicContact CG-CD2 4.18Å; P59-F113 HydrophobicContact CG-CE2 3.44Å; P59-F113 VanDerWaalsContact CG-CE2 3.44Å; P59-F113 HydrophobicContact CG-CZ 4.01Å; P59-V114 WeakPolarHBondContact CA-O 3.21Å
60	E	51.3	Low	56.1	Low	59 Å²	59	62.4 Å²	62.4	28%	0.276	35%	0.353	S	S	.	.			trans	-116.2	125.2	-173.8	-112.9	-172.3	161.4	0	0	113.7	T58 K70 R112	T58-E60 PolarHBondContact O-N 3.47Å; E60-K70 HydrophobicContact CG-CD 3.95Å; E60-K70 HydrophobicContact CG-CG 4.29Å; E60-K70 WeakPolarHBondContact OE1-CE 3.03Å; E60-K70 IonicContact OE1-NZ 2.99Å; E60-K70 PolarHBondContact OE1-NZ 2.98Å; E60-R112 CarbonylContact C-O 3.56Å; E60-R112 CarbonylContact O-C 3.53Å
61	Q	52.7	Low	55.2	Low	58 Å²	58	60.6 Å²	60.6	27%	0.271	34%	0.34	S	S	.	.			trans	80.6	111.2	151.2	-56	-174.8	26.7	0	0	120.1	S68 I69 R112	Q61-S68 VanDerWaalsContact OE1-CB 3.3Å; Q61-S68 PolarHBondContact OE1-OG 2.87Å; Q61-I69 WeakPolarHBondContact CA-O 3Å; Q61-R112 WeakPolarHBondContact O-CA 3.3Å; Q61-R112 WeakPolarHBondContact O-CB 3.11Å; Q61-R112 PolarHBondContact O-N 3.31Å; Q61-R112 VanDerWaalsContact O-O 3.05Å
62	L	49.6	Very low	54.5	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.3	145.5	-66.6	172.1	0	0	0	108.9	L35 S68 I69 L71 L104 V109 V111	L35-L62 HydrophobicContact CD1-CD2 4.29Å; L62-S68 CarbonylContact O-C 3.55Å; L62-S68 VanDerWaalsContact O-CA 3.31Å; L62-S68 WeakPolarHBondContact O-CA 3.16Å; L62-I69 HydrophobicContact CB-CB 4.37Å; L62-I69 PolarHBondContact N-O 3.29Å; L62-I69 PolarHBondContact O-N 2.82Å; L62-L71 HydrophobicContact CD1-CD1 3.8Å; L62-L71 HydrophobicContact CD1-CD2 3.74Å; L62-L71 HydrophobicContact CD1-CG 3.77Å; L62-L71 HydrophobicContact CD2-CD1 4.1Å; L62-L71 HydrophobicContact CG-CD1 3.79Å; L62-L71 HydrophobicContact CG-CD2 4.47Å; L62-L71 HydrophobicContact CG-CG 3.95Å; L62-L104 HydrophobicContact CD1-CD1 4.48Å; L62-V109 HydrophobicContact CD2-CG2 4.3Å; L62-V111 HydrophobicContact CD2-CB 3.95Å; L62-V111 HydrophobicContact CD2-CG1 3.77Å; L62-V111 HydrophobicContact CD2-CG2 3.44Å; L62-V111 VanDerWaalsContact CD2-CG2 3.44Å
63	G	40.4	Very low	54.3	Low	17 Å²	17	61.7 Å²	61.7	18%	0.175	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	153.6	167.6	0	0	0	0	0	111.6	V109 A110	G63-V109 CarbonylContact O-C 3.57Å; G63-V109 VanDerWaalsContact O-CA 3.25Å; G63-V109 WeakPolarHBondContact O-CA 3.38Å; G63-V109 VanDerWaalsContact O-CB 3.29Å; G63-V109 WeakPolarHBondContact O-CB 3.16Å; G63-A110 WeakPolarHBondContact CA-O 3.09Å; G63-A110 PolarHBondContact N-O 3.16Å; G63-A110 PolarHBondContact O-N 3.28Å
64	G	43.3	Very low	54.3	Low	52 Å²	52	60.7 Å²	60.7	54%	0.536	34%	0.342	S	S	.	.	S	Bend	trans	118	-12.1	179.6	0	0	0	0	0	114.4
65	L	52.9	Low	54.2	Low	40 Å²	40	61.5 Å²	61.5	21%	0.209	35%	0.349	C	S	.	.	S	Bend	trans	-93.1	156.8	161.2	-67.7	168	0	0	0	108.6	R67 I69 L104 P105 V107	L65-R67 WeakPolarHBondContact CB-O 3.31Å; L65-R67 CarbonylContact O-C 3.51Å; L65-R67 PolarHBondContact O-N 2.72Å; L65-I69 HydrophobicContact CD1-CD1 3.24Å; L65-I69 HydrophobicContact CD1-CG1 3.9Å; L65-L104 HydrophobicContact CD1-CD2 4.12Å; L65-P105 HydrophobicContact CD2-CG 3.38Å; L65-V107 HydrophobicContact CD2-CG1 3.74Å; L65-V107 HydrophobicContact CG-CG1 4.25Å
66	A	46.7	Very low	54.4	Low	117 Å²	117	55.7 Å²	55.7	97%	0.967	32%	0.323	S	S	*	.	S	Bend	trans	-52.4	-16.3	176.9	0	0	0	0	0	113.4
67	R	58.4	Low	55	Low	213 Å²	213	54.4 Å²	54.4	80%	0.804	32%	0.318	S	S	*	.	S	Bend	trans	-130.9	135.3	168.3	-61.6	-178.5	179.4	-170.6	-1.5	109.3	L65 I69	L65-R67 WeakPolarHBondContact CB-O 3.31Å; L65-R67 CarbonylContact O-C 3.51Å; L65-R67 PolarHBondContact O-N 2.72Å; R67-I69 PolarHBondContact O-N 3Å
68	S	64.1	Low	55.7	Low	62 Å²	62	62.6 Å²	62.6	43%	0.434	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58.7	126.6	168.6	-63.7	0	0	0	0	110.1	Q61 L62	Q61-S68 VanDerWaalsContact OE1-CB 3.3Å; Q61-S68 PolarHBondContact OE1-OG 2.87Å; L62-S68 CarbonylContact O-C 3.55Å; L62-S68 VanDerWaalsContact O-CA 3.31Å; L62-S68 WeakPolarHBondContact O-CA 3.16Å
69	I	64.1	Low	56.6	Low	48 Å²	48	64.4 Å²	64.4	25%	0.246	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-98	118.4	178	-62.3	-170	0	0	0	109.2	Q61 L62 L65 R67 L71 L104	Q61-I69 WeakPolarHBondContact CA-O 3Å; L62-I69 HydrophobicContact CB-CB 4.37Å; L62-I69 PolarHBondContact N-O 3.29Å; L62-I69 PolarHBondContact O-N 2.82Å; L65-I69 HydrophobicContact CD1-CD1 3.24Å; L65-I69 HydrophobicContact CD1-CG1 3.9Å; R67-I69 PolarHBondContact O-N 3Å; I69-L71 PolarHBondContact O-N 2.79Å; I69-L104 HydrophobicContact CD1-CD2 3.2Å
70	K	66.6	Low	57.5	Low	131 Å²	131	64.3 Å²	64.3	57%	0.57	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-75.7	119.3	170	-58	-166.9	-169.6	-166.1	0	108.8	E60	E60-K70 HydrophobicContact CG-CD 3.95Å; E60-K70 HydrophobicContact CG-CG 4.29Å; E60-K70 WeakPolarHBondContact OE1-CE 3.03Å; E60-K70 IonicContact OE1-NZ 2.99Å; E60-K70 PolarHBondContact OE1-NZ 2.98Å
71	L	63.9	Low	58.1	Low	18 Å²	18	64.2 Å²	64.2	9%	0.094	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-79.5	132.5	171.2	-69.3	174.5	0	0	0	108.6	L62 I69 I73 F98	L62-L71 HydrophobicContact CD1-CD1 3.8Å; L62-L71 HydrophobicContact CD1-CD2 3.74Å; L62-L71 HydrophobicContact CD1-CG 3.77Å; L62-L71 HydrophobicContact CD2-CD1 4.1Å; L62-L71 HydrophobicContact CG-CD1 3.79Å; L62-L71 HydrophobicContact CG-CD2 4.47Å; L62-L71 HydrophobicContact CG-CG 3.95Å; I69-L71 PolarHBondContact O-N 2.79Å; L71-I73 HydrophobicContact CB-CD1 4.35Å; L71-I73 HydrophobicContact CB-CG1 4.18Å; L71-I73 PolarHBondContact O-N 2.8Å; L71-F98 HydrophobicContact CD1-CD2 3.57Å; L71-F98 HydrophobicContact CD1-CE2 3.88Å; L71-F98 HydrophobicContact CD1-CG 4.16Å
72	P	58.8	Low	58.8	Low	85 Å²	85	64.5 Å²	64.5	55%	0.552	37%	0.365	S	S	*	.			trans	-72.3	98.1	176.1	30	-31.9	0	0	0	108
73	I	61.4	Low	59.7	Low	21 Å²	21	64.5 Å²	64.5	11%	0.108	37%	0.365	C	S	.	.			trans	-107.2	126.9	175.7	-61.7	-179.6	0	0	0	107.5	P59 L71 T96 F98 F113	P59-I73 HydrophobicContact CB-CB 3.71Å; P59-I73 HydrophobicContact CB-CD1 3.41Å; P59-I73 VanDerWaalsContact CB-CD1 3.41Å; P59-I73 HydrophobicContact CB-CG1 3.91Å; P59-I73 HydrophobicContact CB-CG2 4.24Å; P59-I73 HydrophobicContact CG-CB 3.44Å; P59-I73 VanDerWaalsContact CG-CB 3.44Å; P59-I73 HydrophobicContact CG-CD1 3.93Å; P59-I73 HydrophobicContact CG-CG1 4.16Å; P59-I73 HydrophobicContact CG-CG2 3.56Å; L71-I73 HydrophobicContact CB-CD1 4.35Å; L71-I73 HydrophobicContact CB-CG1 4.18Å; L71-I73 PolarHBondContact O-N 2.8Å; I73-T96 HydrophobicContact CD1-CG2 4.33Å; I73-T96 HydrophobicContact CG2-CG2 3.46Å; I73-T96 VanDerWaalsContact CG2-CG2 3.46Å; I73-T96 WeakPolarHBondContact CG2-OG1 3.22Å; I73-F98 HydrophobicContact CD1-CB 4.37Å; I73-F98 HydrophobicContact CD1-CD1 4.45Å; I73-F98 HydrophobicContact CG1-CB 4.06Å; I73-F113 HydrophobicContact CD1-CD2 4.27Å; I73-F113 HydrophobicContact CD1-CE2 4.23Å
74	P	57.1	Low	60.9	Low	56 Å²	56	64.6 Å²	64.6	36%	0.364	36%	0.363	S	S	.	.			trans	-60.7	148.6	-178.4	24.4	-33.9	0	0	0	110.9	K79	P74-K79 HydrophobicContact CG-CD 4.39Å
75	S	57.8	Low	61.8	Low	27 Å²	27	68.9 Å²	68.9	19%	0.189	37%	0.374	C	S	.	.			trans	-60.4	139	-174.9	65.4	0	0	0	0	112.6	D56 C77 K78	D56-S75 VanDerWaalsContact CB-CB 3.44Å; D56-S75 WeakPolarHBondContact OD1-CB 3.46Å; D56-S75 PolarHBondContact OD1-OG 2.02Å; D56-S75 VanDerWaalsContact OD1-OG 3.05Å; D56-S75 WeakPolarHBondContact OD2-CB 3.44Å; D56-S75 PolarHBondContact OD2-OG 2.83Å; S75-C77 VanDerWaalsContact C-N 3.3Å; S75-C77 PolarHBondContact O-N 2.98Å; S75-C77 VanDerWaalsContact O-N 3.13Å; S75-K78 PolarHBondContact O-N 2.97Å
76	G	56.7	Low	62.2	Low	3 Å²	3	70.5 Å²	70.5	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-56	-38.5	-160.6	0	0	0	0	0	115.5	S57 N80	S57-G76 PolarHBondContact OG-N 2.81Å; G76-N80 WeakPolarHBondContact O-CA 3.44Å; G76-N80 WeakPolarHBondContact O-CB 3.41Å; G76-N80 PolarHBondContact O-N 2.63Å; G76-N80 PolarHBondContact O-ND2 2.74Å
77	C	65	Low	62.8	Low	32 Å²	32	66.5 Å²	66.5	22%	0.216	35%	0.349	C	S	.	.	H	α-helix	trans	-78.1	-26.3	-170.3	-63.2	0	0	0	0	114.4	L54 S75 K79 A81 C84	L54-C77 PolarHBondContact O-SG 2.92Å; S75-C77 VanDerWaalsContact C-N 3.3Å; S75-C77 PolarHBondContact O-N 2.98Å; S75-C77 VanDerWaalsContact O-N 3.13Å; C77-K79 PolarHBondContact O-N 2.75Å; C77-A81 PolarHBondContact O-N 2.82Å; C77-C84 WeakPolarHBondContact CA-SG 3.37Å; C77-C84 HydrophobicContact CB-CB 3.86Å; C77-C84 WeakPolarHBondContact CB-SG 3.46Å; C77-C84 WeakPolarHBondContact SG-CB 3.25Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 2.91Å
78	K	63.9	Low	63.2	Low	174 Å²	174	63.5 Å²	63.5	76%	0.757	34%	0.338	S	S	*	.	H	α-helix	trans	-65.3	-38.6	-176.3	-72.8	-174.2	-179.7	178.5	0	112.8	S75	S75-K78 PolarHBondContact O-N 2.97Å
79	K	64.6	Low	63.6	Low	129 Å²	129	67.5 Å²	67.5	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-99.4	-22.1	176.5	-73.2	-170.8	173.3	-172.8	0	113.2	P74 C77 D97	P74-K79 HydrophobicContact CG-CD 4.39Å; C77-K79 PolarHBondContact O-N 2.75Å; K79-D97 IonicContact NZ-OD2 2.73Å
80	N	68.9	Low	64.5	Low	7 Å²	7	70.3 Å²	70.3	4%	0.037	36%	0.359	C	S	.	.			trans	-116.5	60.5	-177.4	-52.9	-84.7	0	0	0	111.3	G76 N82 V83 C84 F94 E95	G76-N80 WeakPolarHBondContact O-CA 3.44Å; G76-N80 WeakPolarHBondContact O-CB 3.41Å; G76-N80 PolarHBondContact O-N 2.63Å; G76-N80 PolarHBondContact O-ND2 2.74Å; N80-N82 VanDerWaalsContact C-OD1 3.25Å; N80-N82 VanDerWaalsContact CA-OD1 3.32Å; N80-N82 WeakPolarHBondContact CA-OD1 3.31Å; N80-N82 PolarHBondContact O-N 2.83Å; N80-V83 HydrophobicContact CB-CB 3.87Å; N80-V83 HydrophobicContact CB-CG2 3.7Å; N80-V83 VanDerWaalsContact O-CB 3.31Å; N80-V83 WeakPolarHBondContact O-CB 3.09Å; N80-V83 PolarHBondContact O-N 3.38Å; N80-C84 PolarHBondContact O-N 3.05Å; N80-F94 HydrophobicContact CB-CD2 4.29Å; N80-E95 PolarHBondContact ND2-O 3.31Å; N80-E95 PolarHBondContact OD1-N 3.39Å; N80-E95 PolarHBondContact OD1-O 2.84Å
81	A	64.1	Low	65.5	Low	57 Å²	57	67.3 Å²	67.3	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-30.7	177.4	0	0	0	0	0	112.4	C77 V83 C84 N85	C77-A81 PolarHBondContact O-N 2.82Å; A81-V83 PolarHBondContact O-N 2.74Å; A81-C84 PolarHBondContact O-N 2.78Å; A81-N85 PolarHBondContact O-N 3.05Å; A81-N85 VanDerWaalsContact O-N 3.16Å
82	N	66.5	Low	66.5	Low	64 Å²	64	66.5 Å²	66.5	34%	0.342	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-22.7	172.6	65.6	-40.6	0	0	0	113.3	N80 K86 T93	N80-N82 VanDerWaalsContact C-OD1 3.25Å; N80-N82 VanDerWaalsContact CA-OD1 3.32Å; N80-N82 WeakPolarHBondContact CA-OD1 3.31Å; N80-N82 PolarHBondContact O-N 2.83Å; N82-K86 VanDerWaalsContact O-CB 3.26Å; N82-K86 WeakPolarHBondContact O-CB 3.47Å; N82-K86 WeakPolarHBondContact O-CD 3.42Å; N82-K86 WeakPolarHBondContact O-CG 3.43Å; N82-T93 PolarHBondContact ND2-O 3.41Å
83	V	69	Low	67.9	Low	2 Å²	2	63.9 Å²	63.9	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-85.1	-34.2	179	169.9	0	0	0	0	110.8	F47 L54 N80 A81 V92 T93 F94	F47-V83 HydrophobicContact CZ-CG1 4.19Å; L54-V83 HydrophobicContact CD1-CB 4.48Å; L54-V83 HydrophobicContact CD1-CG1 3.09Å; L54-V83 HydrophobicContact CG-CG1 4.36Å; N80-V83 HydrophobicContact CB-CB 3.87Å; N80-V83 HydrophobicContact CB-CG2 3.7Å; N80-V83 VanDerWaalsContact O-CB 3.31Å; N80-V83 WeakPolarHBondContact O-CB 3.09Å; N80-V83 PolarHBondContact O-N 3.38Å; A81-V83 PolarHBondContact O-N 2.74Å; V83-V92 HydrophobicContact CG2-CB 4.24Å; V83-V92 HydrophobicContact CG2-CG2 4.31Å; V83-T93 WeakPolarHBondContact CG2-O 3.29Å; V83-F94 HydrophobicContact CG2-CB 4.14Å
84	C	65.1	Low	69	Low	18 Å²	18	62.9 Å²	62.9	12%	0.122	33%	0.325	C	S	.	.	H	α-helix	trans	-90.5	-19.8	-173.8	-54	0	0	0	0	114.1	C77 N80 A81	C77-C84 WeakPolarHBondContact CA-SG 3.37Å; C77-C84 HydrophobicContact CB-CB 3.86Å; C77-C84 WeakPolarHBondContact CB-SG 3.46Å; C77-C84 WeakPolarHBondContact SG-CB 3.25Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 2.91Å; N80-C84 PolarHBondContact O-N 3.05Å; A81-C84 PolarHBondContact O-N 2.78Å
85	N	62.8	Low	70.4	Confident	143 Å²	143	64 Å²	64	77%	0.765	33%	0.325	S	S	*	.	S	Bend	trans	-108	-4.3	-179	-64.2	-22.8	0	0	0	114.5	A81	A81-N85 PolarHBondContact O-N 3.05Å; A81-N85 VanDerWaalsContact O-N 3.16Å
86	K	61.6	Low	71.7	Confident	74 Å²	74	62.8 Å²	62.8	32%	0.322	32%	0.317	S	S	.	.	S	Bend	trans	-82.9	142.4	179.8	-87.4	-174.6	179.3	-168.3	0	111.3	L52 N82 V91 V92	L52-K86 VanDerWaalsContact CD1-O 3.24Å; L52-K86 WeakPolarHBondContact CD1-O 3.25Å; L52-K86 WeakPolarHBondContact CD2-O 3.44Å; N82-K86 VanDerWaalsContact O-CB 3.26Å; N82-K86 WeakPolarHBondContact O-CB 3.47Å; N82-K86 WeakPolarHBondContact O-CD 3.42Å; N82-K86 WeakPolarHBondContact O-CG 3.43Å; K86-V91 PolarHBondContact NZ-O 3.13Å; K86-V92 HydrophobicContact CB-CG1 3.89Å; K86-V92 HydrophobicContact CD-CG1 3.79Å; K86-V92 HydrophobicContact CG-CG1 4.5Å
87	G	58.7	Low	73.1	Confident	32 Å²	32	64.9 Å²	64.9	33%	0.33	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-54.7	144.4	173.6	0	0	0	0	0	112.8	Q90	G87-Q90 PolarHBondContact O-N 3.05Å
88	W	66.9	Low	74.1	Confident	151 Å²	151	63.9 Å²	63.9	57%	0.572	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	150.8	167.4	58.3	-62.9	0	0	0	109.6	L52 Q90	L52-W88 HydrophobicContact CD1-CB 4.13Å; L52-W88 HydrophobicContact CG-CB 4.08Å; W88-Q90 VanDerWaalsContact C-N 3.3Å; W88-Q90 PolarHBondContact O-N 3.42Å
89	K	71.3	Confident	75.2	Confident	145 Å²	145	59.2 Å²	59.2	63%	0.63	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	7.3	-177.7	-55.4	171.8	165.2	168.1	0	117
90	Q	83	Confident	76.2	Confident	107 Å²	107	53 Å²	53	50%	0.5	28%	0.275	S	S	.	.	S	Bend	trans	-100.7	153.3	169.3	-64.9	-174.8	-16	0	0	111.5	P49 G87 W88 V92	P49-Q90 VanDerWaalsContact CD-O 3.28Å; P49-Q90 WeakPolarHBondContact CD-O 3.44Å; G87-Q90 PolarHBondContact O-N 3.05Å; W88-Q90 VanDerWaalsContact C-N 3.3Å; W88-Q90 PolarHBondContact O-N 3.42Å; Q90-V92 PolarHBondContact O-N 3.37Å
91	V	88	Confident	77	Confident	69 Å²	69	59.6 Å²	59.6	42%	0.418	30%	0.299	S	S	.	.			trans	-68.3	125.6	170.9	-177.8	0	0	0	0	109.3	L20 Q46 I48 K86	L20-V91 HydrophobicContact CD1-CB 4.41Å; L20-V91 HydrophobicContact CD1-CG1 3.86Å; L20-V91 HydrophobicContact CD1-CG2 3.72Å; Q46-V91 HydrophobicContact CB-CG1 4.43Å; I48-V91 HydrophobicContact CD1-CG2 4.37Å; I48-V91 HydrophobicContact CG1-CG2 4.1Å; K86-V91 PolarHBondContact NZ-O 3.13Å
92	V	85.6	Confident	78.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149	173.4	-51.3	0	0	0	0	109.8	Q46 F47 P49 V83 K86 Q90	Q46-V92 WeakPolarHBondContact CA-O 3.26Å; F47-V92 HydrophobicContact CD1-CG2 3.85Å; F47-V92 HydrophobicContact CD2-CG2 4.02Å; F47-V92 HydrophobicContact CE1-CG2 3.48Å; F47-V92 VanDerWaalsContact CE1-CG2 3.48Å; F47-V92 HydrophobicContact CE2-CG2 3.65Å; F47-V92 HydrophobicContact CG-CG2 4.11Å; F47-V92 HydrophobicContact CZ-CG2 3.37Å; F47-V92 PolarHBondContact N-O 3.25Å; F47-V92 PolarHBondContact O-N 3.42Å; P49-V92 HydrophobicContact CG-CG1 4.35Å; V83-V92 HydrophobicContact CG2-CB 4.24Å; V83-V92 HydrophobicContact CG2-CG2 4.31Å; K86-V92 HydrophobicContact CB-CG1 3.89Å; K86-V92 HydrophobicContact CD-CG1 3.79Å; K86-V92 HydrophobicContact CG-CG1 4.5Å; Q90-V92 PolarHBondContact O-N 3.37Å
93	T	87	Confident	79.1	Confident	30 Å²	30	67.5 Å²	67.5	18%	0.184	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.8	176.2	-52.6	0	0	0	0	107.9	I44 I45 Q46 N82 V83 E95	I44-T93 HydrophobicContact CG2-CG2 3.67Å; I45-T93 WeakPolarHBondContact O-CA 3.46Å; Q46-T93 HydrophobicContact CG-CG2 4.16Å; N82-T93 PolarHBondContact ND2-O 3.41Å; V83-T93 WeakPolarHBondContact CG2-O 3.29Å; T93-E95 HydrophobicContact CG2-CG 3.98Å
94	F	85.5	Confident	79.9	Confident	1 Å²	1	68 Å²	68	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.1	171.4	177.5	-85.8	0	0	0	109.6	I44 I45 F47 N80 V83 T96 F113 L115	I44-F94 CarbonylContact C-O 3.59Å; I44-F94 WeakPolarHBondContact CA-O 3.47Å; I45-F94 PolarHBondContact N-O 3.43Å; I45-F94 PolarHBondContact O-N 3.34Å; F47-F94 HydrophobicContact CE1-CB 3.89Å; N80-F94 HydrophobicContact CB-CD2 4.29Å; V83-F94 HydrophobicContact CG2-CB 4.14Å; F94-T96 HydrophobicContact CE1-CG2 3.73Å; F94-T96 HydrophobicContact CZ-CG2 4.41Å; F94-F113 HydrophobicContact CD1-CE1 4.49Å; F94-F113 AromaticContact CD1-CZ 3.94Å; F94-F113 HydrophobicContact CD1-CZ 3.94Å; F94-F113 HydrophobicContact CE1-CE1 4.31Å; F94-F113 AromaticContact CE1-CE2 3.97Å; F94-F113 HydrophobicContact CE1-CE2 3.97Å; F94-F113 AromaticContact CE1-CZ 3.37Å; F94-F113 HydrophobicContact CE1-CZ 3.37Å; F94-F113 AromaticContact CZ-CZ 3.91Å; F94-F113 HydrophobicContact CZ-CZ 3.91Å; F94-L115 HydrophobicContact CD2-CD1 3.73Å; F94-L115 HydrophobicContact CD2-CD2 4.45Å; F94-L115 HydrophobicContact CE1-CD1 4.49Å; F94-L115 HydrophobicContact CE2-CD1 3.4Å; F94-L115 VanDerWaalsContact CE2-CD1 3.4Å; F94-L115 HydrophobicContact CG-CD1 4.38Å; F94-L115 HydrophobicContact CZ-CD1 3.85Å
95	E	86.4	Confident	80.9	Confident	78 Å²	78	70.1 Å²	70.1	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.9	179.5	-59.8	-170.2	-161.8	0	0	110.6	L43 I44 N80 T93	L43-E95 WeakPolarHBondContact O-CA 3.21Å; I44-E95 HydrophobicContact CB-CG 4.41Å; I44-E95 HydrophobicContact CG1-CG 4.07Å; I44-E95 HydrophobicContact CG2-CG 4.04Å; N80-E95 PolarHBondContact ND2-O 3.31Å; N80-E95 PolarHBondContact OD1-N 3.39Å; N80-E95 PolarHBondContact OD1-O 2.84Å; T93-E95 HydrophobicContact CG2-CG 3.98Å
96	T	84.8	Confident	82.2	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.3	174.1	-160.1	0	0	0	0	112.6	R42 L43 I73 F94 F113	R42-T96 CarbonylContact C-O 3.57Å; R42-T96 WeakPolarHBondContact CA-O 3.48Å; L43-T96 HydrophobicContact CB-CG2 4.14Å; L43-T96 PolarHBondContact N-O 3.48Å; L43-T96 PolarHBondContact O-N 2.93Å; I73-T96 HydrophobicContact CD1-CG2 4.33Å; I73-T96 HydrophobicContact CG2-CG2 3.46Å; I73-T96 VanDerWaalsContact CG2-CG2 3.46Å; I73-T96 WeakPolarHBondContact CG2-OG1 3.22Å; F94-T96 HydrophobicContact CE1-CG2 3.73Å; F94-T96 HydrophobicContact CZ-CG2 4.41Å; T96-F113 HydrophobicContact CG2-CE2 4.43Å
97	D	85.8	Confident	83.5	Confident	48 Å²	48	67.4 Å²	67.4	26%	0.257	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.1	175.7	-50.7	-63	0	0	0	109.5	S41 R42 K79	S41-D97 CarbonylContact O-C 3.6Å; S41-D97 WeakPolarHBondContact O-CA 3.26Å; R42-D97 IonicContact CZ-OD1 3.1Å; R42-D97 IonicContact NE-OD1 2.71Å; R42-D97 PolarHBondContact NE-OD1 2.81Å; R42-D97 IonicContact NH2-OD1 3.75Å; R42-D97 PolarHBondContact NH2-OD1 3.15Å; R42-D97 VanDerWaalsContact NH2-OD1 3.17Å; K79-D97 IonicContact NZ-OD2 2.73Å
98	F	86.2	Confident	85	Confident	11 Å²	11	69.9 Å²	69.9	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.7	173.8	61.7	-86.8	0	0	0	110.9	L24 L35 N40 S41 L43 L71 I73 I100	L24-F98 HydrophobicContact CD1-CE1 3.88Å; L24-F98 HydrophobicContact CD1-CZ 3.71Å; L35-F98 HydrophobicContact CD2-CE2 4.16Å; L35-F98 HydrophobicContact CD2-CZ 4.25Å; N40-F98 CarbonylContact C-O 3.58Å; N40-F98 WeakPolarHBondContact CA-O 3.14Å; S41-F98 PolarHBondContact N-O 2.78Å; S41-F98 WeakPolarHBondContact O-CD1 3.48Å; S41-F98 PolarHBondContact O-N 2.85Å; L43-F98 HydrophobicContact CB-CE1 4.02Å; L71-F98 HydrophobicContact CD1-CD2 3.57Å; L71-F98 HydrophobicContact CD1-CE2 3.88Å; L71-F98 HydrophobicContact CD1-CG 4.16Å; I73-F98 HydrophobicContact CD1-CB 4.37Å; I73-F98 HydrophobicContact CD1-CD1 4.45Å; I73-F98 HydrophobicContact CG1-CB 4.06Å; F98-I100 HydrophobicContact CD2-CD1 4.01Å; F98-I100 HydrophobicContact CE2-CD1 3.75Å; F98-I100 HydrophobicContact CE2-CG1 4.43Å
99	I	86.6	Confident	86	Confident	75 Å²	75	63 Å²	63	39%	0.385	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	178.5	-170.7	165.2	0	0	0	110.8	N40 R101	N40-I99 WeakPolarHBondContact OD1-CB 3.31Å; I99-R101 PolarHBondContact O-N 2.04Å
100	I	87.1	Confident	86.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.			trans	-82.3	114.2	170.3	-57.5	-60.7	0	0	0	107.6	L35 R37 G38 K39 F98 K102 L104 V132	L35-I100 HydrophobicContact CB-CD1 4.03Å; L35-I100 HydrophobicContact CB-CG1 3.94Å; L35-I100 HydrophobicContact CD1-CD1 4.08Å; L35-I100 HydrophobicContact CD2-CD1 4.31Å; L35-I100 HydrophobicContact CG-CD1 4.38Å; R37-I100 HydrophobicContact CG-CG2 4.05Å; G38-I100 WeakPolarHBondContact CA-O 3.38Å; G38-I100 PolarHBondContact N-O 3.4Å; K39-I100 PolarHBondContact O-N 3.18Å; F98-I100 HydrophobicContact CD2-CD1 4.01Å; F98-I100 HydrophobicContact CE2-CD1 3.75Å; F98-I100 HydrophobicContact CE2-CG1 4.43Å; I100-K102 PolarHBondContact O-N 3.39Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; I100-V132 HydrophobicContact CG2-CG1 3.91Å; I100-V132 HydrophobicContact CG2-CG2 4.38Å
101	R	85.9	Confident	86.8	Confident	144 Å²	144	52.2 Å²	52.2	54%	0.543	27%	0.269	S	S	.	.			trans	-64.4	139.9	-177.2	-63.2	-177.3	177.5	173.9	-0.8	110.7	I99 N103 L104	I99-R101 PolarHBondContact O-N 2.04Å; R101-N103 WeakPolarHBondContact CB-OD1 3.44Å; R101-N103 PolarHBondContact O-N 2.97Å; R101-N103 VanDerWaalsContact O-N 3.11Å; R101-L104 HydrophobicContact CB-CG 4.33Å; R101-L104 WeakPolarHBondContact O-CG 3.34Å; R101-L104 PolarHBondContact O-N 2.99Å; R101-L104 VanDerWaalsContact O-N 3.12Å
102	K	88.1	Confident	86.7	Confident	163 Å²	163	52.5 Å²	52.5	71%	0.709	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.6	-179.4	-69.1	-174.9	178.6	-179	0	114.1	I100 L104	I100-K102 PolarHBondContact O-N 3.39Å; K102-L104 VanDerWaalsContact C-N 3.34Å
103	N	86.3	Confident	86.7	Confident	125 Å²	125	52.7 Å²	52.7	67%	0.668	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.5	-178.8	68.5	-22	0	0	0	114.2	R101	R101-N103 WeakPolarHBondContact CB-OD1 3.44Å; R101-N103 PolarHBondContact O-N 2.97Å; R101-N103 VanDerWaalsContact O-N 3.11Å
104	L	84.5	Confident	86.6	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	26%	0.256	C	S	.	.	S	Bend	trans	-68.6	140.2	172.1	-63.4	-178.3	0	0	0	109.7	R37 L62 L65 I69 I100 R101 K102 V132	R37-L104 WeakPolarHBondContact CD-O 3.38Å; R37-L104 PolarHBondContact NH1-O 3.16Å; L62-L104 HydrophobicContact CD1-CD1 4.48Å; L65-L104 HydrophobicContact CD1-CD2 4.12Å; I69-L104 HydrophobicContact CD1-CD2 3.2Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; R101-L104 HydrophobicContact CB-CG 4.33Å; R101-L104 WeakPolarHBondContact O-CG 3.34Å; R101-L104 PolarHBondContact O-N 2.99Å; R101-L104 VanDerWaalsContact O-N 3.12Å; K102-L104 VanDerWaalsContact C-N 3.34Å; L104-V132 HydrophobicContact CB-CG1 4.21Å
105	P	87.8	Confident	86.3	Confident	64 Å²	64	51.5 Å²	51.5	42%	0.416	26%	0.256	S	S	.	.			trans	-71.4	160.8	175.4	33.2	-36.4	0	0	0	110.4	L65 V107 V132	L65-P105 HydrophobicContact CD2-CG 3.38Å; P105-V107 HydrophobicContact CG-CG1 4.3Å; P105-V107 PolarHBondContact O-N 3.44Å; P105-V132 WeakPolarHBondContact O-CG1 3.32Å
106	K	89.4	Confident	86	Confident	111 Å²	111	49.4 Å²	49.4	48%	0.483	25%	0.248	S	C	.	.	S	Bend	trans	-72.4	115.4	168.6	-57.5	-175.1	178.5	-145.9	0	108.7	R37 V132 D133 D134	R37-K106 VanDerWaalsContact NH2-CE 3.3Å; K106-V132 WeakPolarHBondContact CA-O 3.08Å; K106-D133 VanDerWaalsContact CD-OD1 3.26Å; K106-D133 WeakPolarHBondContact CD-OD1 3.36Å; K106-D133 VanDerWaalsContact CE-OD1 3.24Å; K106-D133 WeakPolarHBondContact CE-OD1 3.35Å; K106-D133 IonicContact NZ-OD1 2.77Å; K106-D133 PolarHBondContact NZ-OD1 2.89Å; K106-D134 WeakPolarHBondContact CE-OD2 2.84Å; K106-D134 IonicContact NZ-OD2 2.89Å; K106-D134 PolarHBondContact NZ-OD2 3.35Å
107	V	89.1	Confident	85.6	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	150.2	-172.4	73.6	0	0	0	0	111	L65 P105 V109 H131 V132	L65-V107 HydrophobicContact CD2-CG1 3.74Å; L65-V107 HydrophobicContact CG-CG1 4.25Å; P105-V107 HydrophobicContact CG-CG1 4.3Å; P105-V107 PolarHBondContact O-N 3.44Å; V107-V109 HydrophobicContact CG1-CG1 3.73Å; V107-H131 CarbonylContact O-C 3.48Å; V107-H131 VanDerWaalsContact O-CA 3.32Å; V107-H131 WeakPolarHBondContact O-CA 3.46Å; V107-V132 PolarHBondContact N-O 3.5Å; V107-V132 PolarHBondContact O-N 2.91Å
108	S	89.3	Confident	85	Confident	85 Å²	85	49.7 Å²	49.7	59%	0.594	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	137	165.7	-58.1	0	0	0	0	110.7
109	V	88.5	Confident	84.6	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.7	-178.3	-64.8	0	0	0	0	110.7	L35 L62 G63 V107 V111 A130 V132	L35-V109 HydrophobicContact CD1-CG2 4.07Å; L62-V109 HydrophobicContact CD2-CG2 4.3Å; G63-V109 CarbonylContact O-C 3.57Å; G63-V109 VanDerWaalsContact O-CA 3.25Å; G63-V109 WeakPolarHBondContact O-CA 3.38Å; G63-V109 VanDerWaalsContact O-CB 3.29Å; G63-V109 WeakPolarHBondContact O-CB 3.16Å; V107-V109 HydrophobicContact CG1-CG1 3.73Å; V109-V111 HydrophobicContact CG2-CG2 4.1Å; V109-A130 HydrophobicContact CG2-CB 4.05Å; V109-A130 PolarHBondContact N-O 3.19Å; V109-A130 PolarHBondContact O-N 2.79Å; V109-V132 HydrophobicContact CG1-CG2 4.36Å; V109-V132 HydrophobicContact CG2-CG2 4.43Å
110	A	85.8	Confident	84.1	Confident	13 Å²	13	60.8 Å²	60.8	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.9	163.1	0	0	0	0	0	108.5	G63 R127 M128	G63-A110 WeakPolarHBondContact CA-O 3.09Å; G63-A110 PolarHBondContact N-O 3.16Å; G63-A110 PolarHBondContact O-N 3.28Å; A110-R127 VanDerWaalsContact CB-NH2 3.34Å; A110-M128 CarbonylContact C-O 3.55Å; A110-M128 WeakPolarHBondContact CA-O 3.01Å
111	V	84.6	Confident	83.9	Confident	13 Å²	13	64.9 Å²	64.9	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.7	177.2	-172.3	0	0	0	0	108.5	L35 L62 V109 R127 M128 A130	L35-V111 HydrophobicContact CD1-CG2 4.06Å; L62-V111 HydrophobicContact CD2-CB 3.95Å; L62-V111 HydrophobicContact CD2-CG1 3.77Å; L62-V111 HydrophobicContact CD2-CG2 3.44Å; L62-V111 VanDerWaalsContact CD2-CG2 3.44Å; V109-V111 HydrophobicContact CG2-CG2 4.1Å; V111-R127 CarbonylContact O-C 3.57Å; V111-R127 VanDerWaalsContact O-CA 3.25Å; V111-R127 WeakPolarHBondContact O-CA 3.18Å; V111-M128 HydrophobicContact CB-CG 3.69Å; V111-M128 HydrophobicContact CB-SD 4.44Å; V111-M128 HydrophobicContact CG1-CE 4.5Å; V111-M128 HydrophobicContact CG1-CG 4.45Å; V111-M128 HydrophobicContact CG2-CG 4.12Å; V111-M128 PolarHBondContact N-O 3.4Å; V111-M128 PolarHBondContact O-N 2.84Å; V111-A130 HydrophobicContact CG2-CB 3.92Å
112	R	87.1	Confident	83.8	Confident	75 Å²	75	60.7 Å²	60.7	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137	164.9	-167.7	179.5	-175.1	-162.5	-5.7	107.6	E60 Q61 V114 E122 C125 V126	E60-R112 CarbonylContact C-O 3.56Å; E60-R112 CarbonylContact O-C 3.53Å; Q61-R112 WeakPolarHBondContact O-CA 3.3Å; Q61-R112 WeakPolarHBondContact O-CB 3.11Å; Q61-R112 PolarHBondContact O-N 3.31Å; Q61-R112 VanDerWaalsContact O-O 3.05Å; R112-V114 HydrophobicContact CG-CG2 4.14Å; R112-E122 IonicContact CZ-OE1 3.69Å; R112-E122 IonicContact NH2-OE1 3.57Å; R112-E122 PolarHBondContact NH2-OE1 2.79Å; R112-E122 IonicContact NH2-OE2 2.74Å; R112-E122 PolarHBondContact NH2-OE2 3.02Å; R112-C125 PolarHBondContact NE-SG 3.33Å; R112-C125 PolarHBondContact NH2-SG 3.48Å; R112-C125 VanDerWaalsContact NH2-SG 3.36Å; R112-V126 WeakPolarHBondContact CA-O 3.09Å
113	F	85.5	Confident	83.6	Confident	4 Å²	4	53 Å²	53	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.9	170.7	175.7	-87.5	0	0	0	108.4	L43 I45 P59 I73 F94 T96 L115 V124 C125 V126	L43-F113 HydrophobicContact CD2-CB 4.03Å; L43-F113 HydrophobicContact CD2-CD1 4.17Å; L43-F113 HydrophobicContact CD2-CD2 3.26Å; L43-F113 HydrophobicContact CD2-CE2 3.7Å; L43-F113 HydrophobicContact CD2-CG 3.54Å; L43-F113 HydrophobicContact CD2-CZ 4.33Å; I45-F113 HydrophobicContact CD1-CD1 3.34Å; I45-F113 HydrophobicContact CD1-CE1 3.46Å; I45-F113 VanDerWaalsContact CD1-CE1 3.46Å; I45-F113 HydrophobicContact CD1-CG 4.14Å; I45-F113 HydrophobicContact CD1-CZ 4.32Å; P59-F113 HydrophobicContact CB-CD2 3.76Å; P59-F113 HydrophobicContact CB-CE2 3.56Å; P59-F113 HydrophobicContact CB-CZ 4.45Å; P59-F113 HydrophobicContact CG-CD2 4.18Å; P59-F113 HydrophobicContact CG-CE2 3.44Å; P59-F113 VanDerWaalsContact CG-CE2 3.44Å; P59-F113 HydrophobicContact CG-CZ 4.01Å; I73-F113 HydrophobicContact CD1-CD2 4.27Å; I73-F113 HydrophobicContact CD1-CE2 4.23Å; F94-F113 HydrophobicContact CD1-CE1 4.49Å; F94-F113 AromaticContact CD1-CZ 3.94Å; F94-F113 HydrophobicContact CD1-CZ 3.94Å; F94-F113 HydrophobicContact CE1-CE1 4.31Å; F94-F113 AromaticContact CE1-CE2 3.97Å; F94-F113 HydrophobicContact CE1-CE2 3.97Å; F94-F113 AromaticContact CE1-CZ 3.37Å; F94-F113 HydrophobicContact CE1-CZ 3.37Å; F94-F113 AromaticContact CZ-CZ 3.91Å; F94-F113 HydrophobicContact CZ-CZ 3.91Å; T96-F113 HydrophobicContact CG2-CE2 4.43Å; F113-L115 HydrophobicContact CE1-CB 4.1Å; F113-L115 HydrophobicContact CZ-CD1 4.35Å; F113-V124 HydrophobicContact CD1-CG1 4.42Å; F113-C125 WeakPolarHBondContact O-CA 3.29Å; F113-V126 HydrophobicContact CB-CG2 3.85Å; F113-V126 HydrophobicContact CD1-CG2 4.3Å; F113-V126 PolarHBondContact N-O 3.33Å; F113-V126 PolarHBondContact O-N 2.74Å
114	V	84.3	Confident	83.7	Confident	3 Å²	3	47 Å²	47	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.6	-179.6	-177.9	0	0	0	0	109.7	P59 R112 L116 E122 V124	P59-V114 WeakPolarHBondContact CA-O 3.21Å; R112-V114 HydrophobicContact CG-CG2 4.14Å; V114-L116 HydrophobicContact CG1-CD2 3.52Å; V114-L116 HydrophobicContact CG1-CG 4.15Å; V114-E122 HydrophobicContact CG1-CB 4.24Å; V114-E122 HydrophobicContact CG1-CG 3.79Å; V114-V124 CarbonylContact C-O 3.53Å; V114-V124 VanDerWaalsContact CA-O 3.26Å; V114-V124 WeakPolarHBondContact CA-O 3.42Å
115	L	80.4	Confident	84	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.8	167.3	-164.8	79.4	0	0	0	107.9	F47 L54 S57 F94 F113 E122 L123 V124	F47-L115 HydrophobicContact CE1-CD2 3.93Å; F47-L115 HydrophobicContact CE2-CD2 4.22Å; F47-L115 HydrophobicContact CZ-CD2 3.44Å; F47-L115 VanDerWaalsContact CZ-CD2 3.44Å; L54-L115 HydrophobicContact CD1-CD2 4.09Å; L54-L115 HydrophobicContact CD2-CD2 4Å; L54-L115 HydrophobicContact CD2-CG 4.29Å; S57-L115 WeakPolarHBondContact OG-CD1 3.38Å; F94-L115 HydrophobicContact CD2-CD1 3.73Å; F94-L115 HydrophobicContact CD2-CD2 4.45Å; F94-L115 HydrophobicContact CE1-CD1 4.49Å; F94-L115 HydrophobicContact CE2-CD1 3.4Å; F94-L115 VanDerWaalsContact CE2-CD1 3.4Å; F94-L115 HydrophobicContact CG-CD1 4.38Å; F94-L115 HydrophobicContact CZ-CD1 3.85Å; F113-L115 HydrophobicContact CE1-CB 4.1Å; F113-L115 HydrophobicContact CZ-CD1 4.35Å; L115-E122 CarbonylContact O-C 3.34Å; L115-L123 HydrophobicContact CD2-CD2 4.38Å; L115-L123 WeakPolarHBondContact O-CA 3.38Å; L115-L123 WeakPolarHBondContact O-CB 3.49Å; L115-L123 PolarHBondContact O-N 2.66Å; L115-V124 HydrophobicContact CB-CB 3.71Å; L115-V124 HydrophobicContact CB-CG2 4.19Å; L115-V124 HydrophobicContact CD2-CG2 4.15Å; L115-V124 PolarHBondContact N-O 2.82Å; L115-V124 PolarHBondContact O-N 2.95Å; L115-V124 VanDerWaalsContact O-N 3.13Å
116	L	78.6	Confident	84.1	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.2	179.9	-58.3	179.1	0	0	0	111.5	L54 V114 R121 E122	L54-L116 VanDerWaalsContact CD2-O 3.28Å; L54-L116 WeakPolarHBondContact CD2-O 3.39Å; V114-L116 HydrophobicContact CG1-CD2 3.52Å; V114-L116 HydrophobicContact CG1-CG 4.15Å; L116-R121 CarbonylContact C-O 3.57Å; L116-R121 VanDerWaalsContact CA-O 3.29Å; L116-R121 WeakPolarHBondContact CA-O 3.47Å; L116-E122 HydrophobicContact CD2-CG 4.14Å
117	D	76.1	Confident	84.2	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.206	C	C	.	.			trans	-82.3	-179.6	167	79.5	-1.4	0	0	0	111.5	T51 Y119 E120 R121 L123	T51-D117 PolarHBondContact OG1-OD2 3.43Å; D117-Y119 PolarHBondContact O-N 3.33Å; D117-Y119 VanDerWaalsContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD1-CA 3.39Å; D117-Y119 WeakPolarHBondContact OD1-CB 2.97Å; D117-Y119 PolarHBondContact OD1-N 3.25Å; D117-E120 PolarHBondContact O-N 3.22Å; D117-E120 PolarHBondContact OD1-N 3.08Å; D117-R121 PolarHBondContact N-O 3.36Å; D117-R121 WeakPolarHBondContact OD1-CB 3.44Å; D117-R121 PolarHBondContact OD1-N 2.77Å; D117-R121 IonicContact OD1-NE 3.74Å; D117-R121 IonicContact OD2-CZ 3.47Å; D117-R121 IonicContact OD2-NE 3.11Å; D117-R121 PolarHBondContact OD2-NE 2.86Å; D117-R121 VanDerWaalsContact OD2-NE 3.11Å; D117-R121 IonicContact OD2-NH2 2.91Å; D117-R121 PolarHBondContact OD2-NH2 2.8Å; D117-L123 HydrophobicContact CB-CB 4.47Å
118	Q	73.1	Confident	84.3	Confident	52 Å²	52	42.2 Å²	42.2	24%	0.243	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.5	178.6	74.4	-82.3	33.6	0	0	115.2	L52 P53 H55	L52-Q118 VanDerWaalsContact C-NE2 3.3Å; L52-Q118 PolarHBondContact O-NE2 2.95Å; P53-Q118 WeakPolarHBondContact O-CB 3.32Å; P53-Q118 PolarHBondContact O-OE1 2.82Å; H55-Q118 HydrophobicContact CB-CB 3.9Å
119	Y	79	Confident	84.4	Confident	152 Å²	152	43 Å²	43	60%	0.596	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	18.1	176.5	-53.8	-74	0	0	0	111.6	D117 R121	D117-Y119 PolarHBondContact O-N 3.33Å; D117-Y119 VanDerWaalsContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD1-CA 3.39Å; D117-Y119 WeakPolarHBondContact OD1-CB 2.97Å; D117-Y119 PolarHBondContact OD1-N 3.25Å; Y119-R121 PolarHBondContact O-N 3.07Å
120	E	76.7	Confident	84.5	Confident	166 Å²	166	42.7 Å²	42.7	78%	0.776	19%	0.189	S	C	*	.	S	Bend	trans	60	28.7	-178.3	-56	-171.5	150.5	0	0	114	D117	D117-E120 PolarHBondContact O-N 3.22Å; D117-E120 PolarHBondContact OD1-N 3.08Å
121	R	81.8	Confident	84.8	Confident	87 Å²	87	44 Å²	44	33%	0.328	19%	0.193	S	C	.	.			trans	-99.7	144.4	177.7	-56.6	179.9	-60.8	-158	-2.3	111.1	L116 D117 Y119 L123	L116-R121 CarbonylContact C-O 3.57Å; L116-R121 VanDerWaalsContact CA-O 3.29Å; L116-R121 WeakPolarHBondContact CA-O 3.47Å; D117-R121 PolarHBondContact N-O 3.36Å; D117-R121 WeakPolarHBondContact OD1-CB 3.44Å; D117-R121 PolarHBondContact OD1-N 2.77Å; D117-R121 IonicContact OD1-NE 3.74Å; D117-R121 IonicContact OD2-CZ 3.47Å; D117-R121 IonicContact OD2-NE 3.11Å; D117-R121 PolarHBondContact OD2-NE 2.86Å; D117-R121 VanDerWaalsContact OD2-NE 3.11Å; D117-R121 IonicContact OD2-NH2 2.91Å; D117-R121 PolarHBondContact OD2-NH2 2.8Å; Y119-R121 PolarHBondContact O-N 3.07Å; R121-L123 PolarHBondContact O-N 3.24Å
122	E	84.1	Confident	85.1	Confident	56 Å²	56	43.5 Å²	43.5	26%	0.262	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	92.3	-179.4	-55.1	-170.1	-178.3	0	0	111.7	R16 R112 V114 L115 L116 C125	R16-E122 WeakPolarHBondContact CG-O 3.32Å; R16-E122 PolarHBondContact N-O 3.17Å; R112-E122 IonicContact CZ-OE1 3.69Å; R112-E122 IonicContact NH2-OE1 3.57Å; R112-E122 PolarHBondContact NH2-OE1 2.79Å; R112-E122 IonicContact NH2-OE2 2.74Å; R112-E122 PolarHBondContact NH2-OE2 3.02Å; V114-E122 HydrophobicContact CG1-CB 4.24Å; V114-E122 HydrophobicContact CG1-CG 3.79Å; L115-E122 CarbonylContact O-C 3.34Å; L116-E122 HydrophobicContact CD2-CG 4.14Å; E122-C125 HydrophobicContact CB-CB 4.48Å; E122-C125 VanDerWaalsContact OE2-CB 3.29Å; E122-C125 WeakPolarHBondContact OE2-CB 3.35Å; E122-C125 PolarHBondContact OE2-SG 3.49Å
123	L	84.5	Confident	85.3	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-43	173	-173.2	65.8	0	0	0	110.7	R16 G17 F47 P49 L54 L115 D117 R121	R16-L123 PolarHBondContact N-O 3.48Å; G17-L123 WeakPolarHBondContact CA-O 3.21Å; G17-L123 PolarHBondContact N-O 2.92Å; F47-L123 HydrophobicContact CE2-CD2 3.64Å; F47-L123 HydrophobicContact CE2-CG 4.12Å; F47-L123 HydrophobicContact CZ-CD2 4.29Å; P49-L123 HydrophobicContact CB-CD1 4.4Å; P49-L123 HydrophobicContact CB-CD2 3.98Å; L54-L123 HydrophobicContact CD1-CD2 3.65Å; L54-L123 HydrophobicContact CD2-CB 4.35Å; L54-L123 HydrophobicContact CD2-CD2 3.22Å; L54-L123 HydrophobicContact CD2-CG 4.4Å; L54-L123 HydrophobicContact CG-CD2 3.65Å; L115-L123 HydrophobicContact CD2-CD2 4.38Å; L115-L123 WeakPolarHBondContact O-CA 3.38Å; L115-L123 WeakPolarHBondContact O-CB 3.49Å; L115-L123 PolarHBondContact O-N 2.66Å; D117-L123 HydrophobicContact CB-CB 4.47Å; R121-L123 PolarHBondContact O-N 3.24Å
124	V	88.1	Confident	85.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.8	171.6	176	0	0	0	0	108	V19 I45 F47 F113 V114 L115 V126	V19-V124 HydrophobicContact CG2-CG1 3.89Å; V19-V124 HydrophobicContact CG2-CG2 4.46Å; I45-V124 HydrophobicContact CD1-CG1 4.13Å; I45-V124 HydrophobicContact CG2-CG1 4.25Å; F47-V124 HydrophobicContact CB-CG2 4.21Å; F47-V124 HydrophobicContact CD1-CG2 3.85Å; F47-V124 HydrophobicContact CD2-CG2 3.64Å; F47-V124 HydrophobicContact CE1-CG2 4.05Å; F47-V124 HydrophobicContact CE2-CG2 3.88Å; F47-V124 HydrophobicContact CG-CG2 3.63Å; F47-V124 HydrophobicContact CZ-CG2 4.07Å; F113-V124 HydrophobicContact CD1-CG1 4.42Å; V114-V124 CarbonylContact C-O 3.53Å; V114-V124 VanDerWaalsContact CA-O 3.26Å; V114-V124 WeakPolarHBondContact CA-O 3.42Å; L115-V124 HydrophobicContact CB-CB 3.71Å; L115-V124 HydrophobicContact CB-CG2 4.19Å; L115-V124 HydrophobicContact CD2-CG2 4.15Å; L115-V124 PolarHBondContact N-O 2.82Å; L115-V124 PolarHBondContact O-N 2.95Å; L115-V124 VanDerWaalsContact O-N 3.13Å; V124-V126 HydrophobicContact CG1-CG1 4.08Å
125	C	89.8	Confident	84.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.4	167.3	-170	0	0	0	0	108	N12 C13 S15 R112 F113 E122	N12-C125 PolarHBondContact OD1-O 3.3Å; C13-C125 VanDerWaalsContact C-SG 3.53Å; C13-C125 HydrophobicContact CB-CB 4.18Å; C13-C125 WeakPolarHBondContact CB-SG 3.48Å; C13-C125 PolarHBondContact N-O 2.8Å; C13-C125 PolarHBondContact O-SG 2.87Å; C13-C125 VanDerWaalsContact SG-CA 3.58Å; C13-C125 WeakPolarHBondContact SG-CB 3.45Å; C13-C125 PolarHBondContact SG-O 3.08Å; C13-C125 VanDerWaalsContact SG-O 3.35Å; C13-C125 CovalentContact SG-SG 2.04Å; C13-C125 PolarHBondContact SG-SG 2.82Å; S15-C125 PolarHBondContact OG-N 2.85Å; S15-C125 PolarHBondContact OG-O 3.12Å; R112-C125 PolarHBondContact NE-SG 3.33Å; R112-C125 PolarHBondContact NH2-SG 3.48Å; R112-C125 VanDerWaalsContact NH2-SG 3.36Å; F113-C125 WeakPolarHBondContact O-CA 3.29Å; E122-C125 HydrophobicContact CB-CB 4.48Å; E122-C125 VanDerWaalsContact OE2-CB 3.29Å; E122-C125 WeakPolarHBondContact OE2-CB 3.35Å; E122-C125 PolarHBondContact OE2-SG 3.49Å
126	V	91.1	Very high	84.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.8	173	-61.2	0	0	0	0	110.6	Y10 S11 C13 V19 V22 I45 R112 F113 V124	Y10-V126 HydrophobicContact CD2-CB 4.05Å; Y10-V126 HydrophobicContact CD2-CG1 3.71Å; Y10-V126 HydrophobicContact CE2-CG1 4.03Å; S11-V126 WeakPolarHBondContact O-CA 3.45Å; C13-V126 VanDerWaalsContact SG-C 3.54Å; C13-V126 PolarHBondContact SG-N 3.37Å; V19-V126 HydrophobicContact CB-CG1 4.49Å; V19-V126 HydrophobicContact CG1-CG1 3.92Å; V19-V126 HydrophobicContact CG2-CG1 4.06Å; V22-V126 HydrophobicContact CG2-CB 4.31Å; V22-V126 HydrophobicContact CG2-CG1 3.94Å; V22-V126 HydrophobicContact CG2-CG2 4.26Å; I45-V126 HydrophobicContact CD1-CG2 4.03Å; R112-V126 WeakPolarHBondContact CA-O 3.09Å; F113-V126 HydrophobicContact CB-CG2 3.85Å; F113-V126 HydrophobicContact CD1-CG2 4.3Å; F113-V126 PolarHBondContact N-O 3.33Å; F113-V126 PolarHBondContact O-N 2.74Å; V124-V126 HydrophobicContact CG1-CG1 4.08Å
127	R	90.7	Very high	83.5	Confident	125 Å²	125	54.4 Å²	54.4	47%	0.472	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.5	173.8	-177.9	179.8	-176.1	140.5	1.4	110	Y10 S11 C13 A110 V111	Y10-R127 CarbonylContact C-O 3.59Å; Y10-R127 WeakPolarHBondContact CA-O 3.42Å; S11-R127 PolarHBondContact N-O 3.22Å; S11-R127 PolarHBondContact O-N 2.74Å; S11-R127 PolarHBondContact OG-O 2.95Å; C13-R127 HydrophobicContact CB-CB 4.46Å; A110-R127 VanDerWaalsContact CB-NH2 3.34Å; V111-R127 CarbonylContact O-C 3.57Å; V111-R127 VanDerWaalsContact O-CA 3.25Å; V111-R127 WeakPolarHBondContact O-CA 3.18Å
128	M	91.2	Very high	83.1	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.1	176.8	65.8	-177.6	97.6	0	0	110.4	V8 V22 L43 A110 V111	V8-M128 HydrophobicContact CG2-SD 4.24Å; V22-M128 HydrophobicContact CG1-CE 4.03Å; L43-M128 HydrophobicContact CD1-CE 3.73Å; A110-M128 CarbonylContact C-O 3.55Å; A110-M128 WeakPolarHBondContact CA-O 3.01Å; V111-M128 HydrophobicContact CB-CG 3.69Å; V111-M128 HydrophobicContact CB-SD 4.44Å; V111-M128 HydrophobicContact CG1-CE 4.5Å; V111-M128 HydrophobicContact CG1-CG 4.45Å; V111-M128 HydrophobicContact CG2-CG 4.12Å; V111-M128 PolarHBondContact N-O 3.4Å; V111-M128 PolarHBondContact O-N 2.84Å
129	N	91.7	Very high	82.9	Confident	101 Å²	101	60.8 Å²	60.8	54%	0.54	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.5	169.6	-63.2	-37.1	0	0	0	109.3
130	A	91.4	Very high	82.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	175.8	175.3	0	0	0	0	0	109.1	N32 C33 L35 V109 V111	N32-A130 VanDerWaalsContact OD1-CA 3.31Å; N32-A130 WeakPolarHBondContact OD1-CA 3.47Å; N32-A130 PolarHBondContact OD1-O 3.44Å; C33-A130 WeakPolarHBondContact O-CA 3.49Å; C33-A130 WeakPolarHBondContact O-CB 3.43Å; L35-A130 HydrophobicContact CD1-CB 3.69Å; L35-A130 HydrophobicContact CG-CB 3.89Å; V109-A130 HydrophobicContact CG2-CB 4.05Å; V109-A130 PolarHBondContact N-O 3.19Å; V109-A130 PolarHBondContact O-N 2.79Å; V111-A130 HydrophobicContact CG2-CB 3.92Å
131	H	91.3	Very high	82.1	Confident	40 Å²	40	52.2 Å²	52.2	19%	0.185	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.3	168.8	68	-73.8	0	0	0	110.8	N32 C33 T34 L35 V107	N32-H131 PolarHBondContact ND2-ND1 2.88Å; N32-H131 PolarHBondContact O-CE1 2.77Å; N32-H131 PolarHBondContact O-ND1 3.11Å; N32-H131 VanDerWaalsContact O-ND1 3.08Å; N32-H131 PolarHBondContact OD1-N 3.13Å; N32-H131 PolarHBondContact OD1-ND1 2.79Å; C33-H131 PolarHBondContact O-N 3.14Å; T34-H131 PolarHBondContact OG1-CE1 2.71Å; T34-H131 PolarHBondContact OG1-NE2 2.77Å; L35-H131 WeakPolarHBondContact CB-O 3.48Å; L35-H131 PolarHBondContact N-O 2.81Å; V107-H131 CarbonylContact O-C 3.48Å; V107-H131 VanDerWaalsContact O-CA 3.32Å; V107-H131 WeakPolarHBondContact O-CA 3.46Å
132	V	90.6	Very high	82	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.5	175.8	177.3	0	0	0	0	108.4	L35 R37 I100 L104 P105 K106 V107 V109	L35-V132 HydrophobicContact CB-CG2 4.26Å; L35-V132 WeakPolarHBondContact O-CA 3.26Å; R37-V132 HydrophobicContact CG-CG1 3.38Å; I100-V132 HydrophobicContact CG2-CG1 3.91Å; I100-V132 HydrophobicContact CG2-CG2 4.38Å; L104-V132 HydrophobicContact CB-CG1 4.21Å; P105-V132 WeakPolarHBondContact O-CG1 3.32Å; K106-V132 WeakPolarHBondContact CA-O 3.08Å; V107-V132 PolarHBondContact N-O 3.5Å; V107-V132 PolarHBondContact O-N 2.91Å; V109-V132 HydrophobicContact CG1-CG2 4.36Å; V109-V132 HydrophobicContact CG2-CG2 4.43Å
133	D	91.8	Very high	81.6	Confident	45 Å²	45	60.8 Å²	60.8	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	174.4	173.7	-148.4	-25.6	0	0	0	111.3	T34 L35 V36 R37 K106	T34-D133 HydrophobicContact CG2-CB 4.04Å; L35-D133 PolarHBondContact O-N 2.73Å; V36-D133 CarbonylContact C-O 3.44Å; V36-D133 WeakPolarHBondContact CA-O 3.24Å; R37-D133 WeakPolarHBondContact CG-O 3.1Å; R37-D133 PolarHBondContact N-O 3.43Å; K106-D133 VanDerWaalsContact CD-OD1 3.26Å; K106-D133 WeakPolarHBondContact CD-OD1 3.36Å; K106-D133 VanDerWaalsContact CE-OD1 3.24Å; K106-D133 WeakPolarHBondContact CE-OD1 3.35Å; K106-D133 IonicContact NZ-OD1 2.77Å; K106-D133 PolarHBondContact NZ-OD1 2.89Å
134	D	88	Confident	81.3	Confident	55 Å²	55	65.4 Å²	65.4	29%	0.294	31%	0.312	S	S	.	.			trans	-83.4	155.8	169.3	-65.2	-39.6	0	0	0	111.2	R37 K106 I136	R37-D134 IonicContact CZ-OD1 2.63Å; R37-D134 IonicContact CZ-OD2 2.71Å; R37-D134 IonicContact NE-OD1 2.79Å; R37-D134 PolarHBondContact NE-OD1 2.82Å; R37-D134 IonicContact NH2-OD1 3.44Å; R37-D134 PolarHBondContact NH2-OD1 3.19Å; R37-D134 IonicContact NH2-OD2 3.17Å; R37-D134 PolarHBondContact NH2-OD2 3.02Å; K106-D134 WeakPolarHBondContact CE-OD2 2.84Å; K106-D134 IonicContact NZ-OD2 2.89Å; K106-D134 PolarHBondContact NZ-OD2 3.35Å; D134-I136 PolarHBondContact O-N 3.06Å; D134-I136 VanDerWaalsContact O-N 3.14Å
135	N	72.5	Confident	80.9	Confident	80 Å²	80	69.9 Å²	69.9	43%	0.428	34%	0.335	S	S	.	.			trans	-64.7	116	163.1	-164.5	47.3	0	0	0	106.9	V36 K39 D137	V36-N135 HydrophobicContact CG1-CB 3.73Å; K39-N135 PolarHBondContact NZ-ND2 2.85Å; K39-N135 PolarHBondContact NZ-OD1 3.14Å; N135-D137 VanDerWaalsContact C-N 3.29Å; N135-D137 PolarHBondContact O-N 2.98Å
136	I	64.1	Low	80.5	Confident	93 Å²	93	77.5 Å²	77.5	48%	0.477	37%	0.368	S	S	.	.			trans	-67.9	97.7	169.1	-49.1	178.7	0	0	0	106.5	D134 D140 L141 I144	D134-I136 PolarHBondContact O-N 3.06Å; D134-I136 VanDerWaalsContact O-N 3.14Å; I136-D140 HydrophobicContact CG2-CB 4Å; I136-L141 HydrophobicContact CG2-CD2 3.77Å; I136-L141 HydrophobicContact CG2-CG 3.62Å; I136-I144 HydrophobicContact CG2-CD1 4.45Å
137	D	66.1	Low	79.9	Confident	75 Å²	75	84.6 Å²	84.6	40%	0.401	40%	0.399	S	S	.	.			trans	-68.6	154.1	171.7	-177.3	22.8	0	0	0	109.2	N135 N139 D140 L141	N135-D137 VanDerWaalsContact C-N 3.29Å; N135-D137 PolarHBondContact O-N 2.98Å; D137-N139 PolarHBondContact O-N 3.42Å; D137-N139 PolarHBondContact OD2-ND2 3.19Å; D137-D140 WeakPolarHBondContact O-CA 3.46Å; D137-D140 PolarHBondContact O-N 2.87Å; D137-L141 PolarHBondContact O-N 3.48Å
138	L	66.7	Low	79.2	Confident	111 Å²	111	85.3 Å²	85.3	58%	0.581	41%	0.405	S	S	*	.	H	α-helix	trans	-48.9	-32.7	174.4	-89.2	149.5	0	0	0	112.3	L141 R142	L138-L141 PolarHBondContact O-N 3.1Å; L138-R142 WeakPolarHBondContact O-CB 3.48Å; L138-R142 WeakPolarHBondContact O-CG 3.22Å; L138-R142 PolarHBondContact O-N 3.11Å
139	N	70.7	Confident	78.6	Confident	80 Å²	80	89.6 Å²	89.6	43%	0.428	43%	0.428	S	S	.	.	H	α-helix	trans	-68.1	-38.6	175.7	-65.3	-48.3	0	0	0	112.9	D137 R142 R143	D137-N139 PolarHBondContact O-N 3.42Å; D137-N139 PolarHBondContact OD2-ND2 3.19Å; N139-R142 PolarHBondContact O-N 3.35Å; N139-R143 WeakPolarHBondContact O-CG 3.37Å; N139-R143 PolarHBondContact O-N 3.37Å
140	D	67	Low	77.6	Confident	59 Å²	59	88 Å²	88	32%	0.316	43%	0.425	S	S	.	.	H	α-helix	trans	-71.7	-38.9	174.3	-72.9	-26.3	0	0	0	111	I136 D137 R142 R143 I144	I136-D140 HydrophobicContact CG2-CB 4Å; D137-D140 WeakPolarHBondContact O-CA 3.46Å; D137-D140 PolarHBondContact O-N 2.87Å; D140-R142 VanDerWaalsContact C-N 3.34Å; D140-R142 PolarHBondContact O-N 3.17Å; D140-R143 PolarHBondContact O-N 2.83Å; D140-R143 IonicContact OD1-NH1 3.17Å; D140-R143 PolarHBondContact OD1-NH1 3.48Å; D140-R143 VanDerWaalsContact OD1-NH1 3.17Å; D140-I144 WeakPolarHBondContact O-CB 3.41Å; D140-I144 WeakPolarHBondContact O-CD1 3.27Å; D140-I144 VanDerWaalsContact O-CG1 3.22Å; D140-I144 WeakPolarHBondContact O-CG1 3.43Å; D140-I144 PolarHBondContact O-N 2.93Å
141	L	70.8	Confident	76.5	Confident	78 Å²	78	92.8 Å²	92.8	41%	0.408	45%	0.451	S	S	.	.	H	α-helix	trans	-55.6	-48.8	169.1	-74.8	172.2	0	0	0	111.3	I136 D137 L138 R143 I144 I145	I136-L141 HydrophobicContact CG2-CD2 3.77Å; I136-L141 HydrophobicContact CG2-CG 3.62Å; D137-L141 PolarHBondContact O-N 3.48Å; L138-L141 PolarHBondContact O-N 3.1Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.97Å; L141-I145 VanDerWaalsContact O-CG1 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.5Å; L141-I145 PolarHBondContact O-N 3.44Å
142	R	80.4	Confident	75	Confident	150 Å²	150	99.3 Å²	99.3	57%	0.566	48%	0.475	S	S	*	.	H	α-helix	trans	-59.4	-41.9	177.1	-76.6	169.6	179.1	162.6	-1.8	112	L138 N139 D140 K146	L138-R142 WeakPolarHBondContact O-CB 3.48Å; L138-R142 WeakPolarHBondContact O-CG 3.22Å; L138-R142 PolarHBondContact O-N 3.11Å; N139-R142 PolarHBondContact O-N 3.35Å; D140-R142 VanDerWaalsContact C-N 3.34Å; D140-R142 PolarHBondContact O-N 3.17Å; R142-K146 WeakPolarHBondContact O-CB 3.43Å; R142-K146 WeakPolarHBondContact O-CG 3.48Å; R142-K146 PolarHBondContact O-N 2.94Å
143	R	75.7	Confident	73.6	Confident	174 Å²	174	104 Å²	104	66%	0.657	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-42.9	176.3	-76.4	174.9	-178.5	159.3	-4.5	111.9	N139 D140 L141 K146 K147	N139-R143 WeakPolarHBondContact O-CG 3.37Å; N139-R143 PolarHBondContact O-N 3.37Å; D140-R143 PolarHBondContact O-N 2.83Å; D140-R143 IonicContact OD1-NH1 3.17Å; D140-R143 PolarHBondContact OD1-NH1 3.48Å; D140-R143 VanDerWaalsContact OD1-NH1 3.17Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.1Å; R143-K146 PolarHBondContact O-N 3.41Å; R143-K147 WeakPolarHBondContact O-CB 3.39Å; R143-K147 PolarHBondContact O-N 2.95Å
144	I	76.8	Confident	72	Confident	96 Å²	96	108.4 Å²	108.4	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-62.6	-46.3	177.8	-68	163.1	0	0	0	110.3	I136 D140 L141 K147 K148	I136-I144 HydrophobicContact CG2-CD1 4.45Å; D140-I144 WeakPolarHBondContact O-CB 3.41Å; D140-I144 WeakPolarHBondContact O-CD1 3.27Å; D140-I144 VanDerWaalsContact O-CG1 3.22Å; D140-I144 WeakPolarHBondContact O-CG1 3.43Å; D140-I144 PolarHBondContact O-N 2.93Å; L141-I144 PolarHBondContact O-N 2.97Å; I144-K147 PolarHBondContact O-N 3.24Å; I144-K148 WeakPolarHBondContact O-CB 3.38Å; I144-K148 PolarHBondContact O-N 3.4Å
145	I	80.2	Confident	70.2	Confident	96 Å²	96	119.4 Å²	119.4	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-61	-48.1	176.9	-66.4	165.5	0	0	0	110.6	L141 K147 K148 N149	L141-I145 VanDerWaalsContact O-CG1 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.5Å; L141-I145 PolarHBondContact O-N 3.44Å; I145-K147 VanDerWaalsContact C-N 3.34Å; I145-K147 PolarHBondContact O-N 2.94Å; I145-K148 PolarHBondContact O-N 3.33Å; I145-N149 PolarHBondContact O-N 2.93Å
146	K	81.4	Confident	70.1	Confident	160 Å²	160	121.4 Å²	121.4	70%	0.696	58%	0.576	S	S	*	*	H	α-helix	trans	-58	-44.4	177	-78.8	-174.9	177.5	-172	0	112.2	R142 R143 N149 S150	R142-K146 WeakPolarHBondContact O-CB 3.43Å; R142-K146 WeakPolarHBondContact O-CG 3.48Å; R142-K146 PolarHBondContact O-N 2.94Å; R143-K146 PolarHBondContact O-N 3.41Å; K146-N149 PolarHBondContact O-N 3.4Å; K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.91Å
147	K	79	Confident	70.4	Confident	149 Å²	149	122.8 Å²	122.8	65%	0.648	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-40.8	178.5	-169.4	176.6	-179.1	179.7	0	111.8	R143 I144 I145 S150 N151	R143-K147 WeakPolarHBondContact O-CB 3.39Å; R143-K147 PolarHBondContact O-N 2.95Å; I144-K147 PolarHBondContact O-N 3.24Å; I145-K147 VanDerWaalsContact C-N 3.34Å; I145-K147 PolarHBondContact O-N 2.94Å; K147-S150 PolarHBondContact O-N 3.24Å; K147-N151 PolarHBondContact O-N 3.4Å; K147-N151 VanDerWaalsContact O-N 3.1Å
148	K	76	Confident	70.6	Confident	139 Å²	139	125.5 Å²	125.5	60%	0.604	59%	0.591	S	S	*	*	H	α-helix	trans	-64.8	-42.2	177.1	-165.1	177.7	-179.4	-178.4	0	111.8	I144 I145 N151 Y152	I144-K148 WeakPolarHBondContact O-CB 3.38Å; I144-K148 PolarHBondContact O-N 3.4Å; I145-K148 PolarHBondContact O-N 3.33Å; K148-N151 PolarHBondContact O-N 2.95Å; K148-Y152 PolarHBondContact O-N 2.88Å; K148-Y152 VanDerWaalsContact O-N 3.11Å
149	N	78.3	Confident	70.9	Confident	97 Å²	97	126.4 Å²	126.4	52%	0.519	59%	0.592	S	S	.	*	H	α-helix	trans	-66.7	-41.4	176.5	-69.1	-4.8	0	0	0	111.9	I145 K146 N151 Y152 S153	I145-N149 PolarHBondContact O-N 2.93Å; K146-N149 PolarHBondContact O-N 3.4Å; N149-N151 VanDerWaalsContact C-N 3.28Å; N149-N151 PolarHBondContact O-N 3.42Å; N149-Y152 PolarHBondContact O-N 3.49Å; N149-Y152 VanDerWaalsContact O-N 3.1Å; N149-S153 PolarHBondContact O-N 2.95Å
150	S	71.4	Confident	70.9	Confident	69 Å²	69	129.3 Å²	129.3	48%	0.483	60%	0.602	S	S	.	*	H	α-helix	trans	-61.9	-35.1	175.8	-171.9	0	0	0	0	112.8	K146 K147 N154	K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.91Å; K147-S150 PolarHBondContact O-N 3.24Å; S150-N154 PolarHBondContact O-N 2.96Å
151	N	67.9	Low	71.2	Confident	100 Å²	100	133.9 Å²	133.9	54%	0.535	62%	0.621	S	S	.	*	H	α-helix	trans	-74.4	-26.9	175.6	-76.3	-16.8	0	0	0	112.7	K147 K148 N149	K147-N151 PolarHBondContact O-N 3.4Å; K147-N151 VanDerWaalsContact O-N 3.1Å; K148-N151 PolarHBondContact O-N 2.95Å; N149-N151 VanDerWaalsContact C-N 3.28Å; N149-N151 PolarHBondContact O-N 3.42Å
152	Y	59.5	Low	71.2	Confident	177 Å²	177	137.9 Å²	137.9	69%	0.694	64%	0.636	S	S	*	*	H	α-helix	trans	-76.6	-30.8	173.6	-108.7	-90	0	0	0	112.6	K148 N149 N154	K148-Y152 PolarHBondContact O-N 2.88Å; K148-Y152 VanDerWaalsContact O-N 3.11Å; N149-Y152 PolarHBondContact O-N 3.49Å; N149-Y152 VanDerWaalsContact O-N 3.1Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.02Å
153	S	62.6	Low	70.5	Confident	102 Å²	102	137 Å²	137	71%	0.713	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.5	175.5	-73.4	0	0	0	0	114.5	N149	N149-S153 PolarHBondContact O-N 2.95Å
154	N	58.2	Low	70	Confident	137 Å²	137	133.9 Å²	133.9	73%	0.733	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	20.1	175.8	-80.9	-14.8	0	0	0	113	S150 Y152	S150-N154 PolarHBondContact O-N 2.96Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.02Å
155	R	49.4	Very low	69.4	Low	285 Å²	285	137.4 Å²	137.4	100%	1.075	65%	0.654	S	S	*	*			trans	-123.8	0	167.8	-87.2	-173.2	179.4	179.8	-0.7	109.2

Retrieved 155 of 155 residues in 35.3 ms (Link to these results)

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