A0A077Z2Q6_TRITR Loading...

Runt domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2Q6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 195 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	82.1	Confident	86.7	Confident	89 Å²	89	49.2 Å²	49.2	44%	0.438	32%	0.317	S	S	.	.				0	139.6	0	-61.9	-51.1	-73.8	0	0	111	F9 C10 E12 Y100	M1-F9 VanDerWaalsContact O-CA 3.31Å; M1-F9 WeakPolarHBondContact O-CA 3.5Å; M1-F9 WeakPolarHBondContact O-CB 3.44Å; M1-F9 WeakPolarHBondContact O-CD1 3.29Å; M1-C10 PolarHBondContact N-O 2.89Å; M1-C10 PolarHBondContact O-N 2.96Å; M1-E12 HydrophobicContact CG-CG 3.52Å; M1-E12 HydrophobicContact SD-CG 3.62Å; M1-Y100 HydrophobicContact CE-CE2 4.37Å; M1-Y100 HydrophobicContact CG-CE1 4.16Å; M1-Y100 HydrophobicContact CG-CE2 4.41Å
2	A	80.7	Confident	87.2	Confident	63 Å²	63	56.9 Å²	56.9	52%	0.521	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-67.7	151.5	155.1	0	0	0	0	0	109.5	F9	A2-F9 HydrophobicContact CB-CD1 4.24Å; A2-F9 HydrophobicContact CB-CE1 3.82Å; A2-F9 HydrophobicContact CB-CZ 4.44Å
3	T	82.9	Confident	87.8	Confident	20 Å²	20	53.6 Å²	53.6	12%	0.123	33%	0.325	C	S	.	.			trans	-104.1	-175.5	172.4	64.3	0	0	0	0	109.8	S5 L8 C10 I88 T98	T3-S5 PolarHBondContact O-N 3.4Å; T3-S5 PolarHBondContact OG1-N 2.71Å; T3-S5 PolarHBondContact OG1-O 3.36Å; T3-L8 WeakPolarHBondContact CB-O 3.46Å; T3-L8 WeakPolarHBondContact CG2-O 3.41Å; T3-L8 PolarHBondContact N-O 3.42Å; T3-L8 WeakPolarHBondContact OG1-CB 3.31Å; T3-L8 PolarHBondContact OG1-O 3.36Å; T3-C10 HydrophobicContact CG2-CB 4.46Å; T3-I88 HydrophobicContact CG2-CD1 4.12Å; T3-T98 VanDerWaalsContact CB-OG1 3.29Å; T3-T98 WeakPolarHBondContact CB-OG1 3.16Å; T3-T98 HydrophobicContact CG2-CG2 3.97Å; T3-T98 WeakPolarHBondContact OG1-CG2 3.47Å; T3-T98 PolarHBondContact OG1-OG1 2.9Å
4	G	78.3	Confident	88.4	Confident	58 Å²	58	52.1 Å²	52.1	60%	0.598	32%	0.317	S	S	*	.	S	Bend	trans	-62.3	-1.9	170.7	0	0	0	0	0	115	T98 T99	G4-T98 PolarHBondContact N-OG1 3.09Å; G4-T98 VanDerWaalsContact N-OG1 3.16Å; G4-T99 PolarHBondContact N-O 2.8Å
5	S	82	Confident	88.8	Confident	28 Å²	28	63 Å²	63	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-124.3	131.6	177.6	-51.5	0	0	0	0	110.6	T3 N7 L8 V97 T98	T3-S5 PolarHBondContact O-N 3.4Å; T3-S5 PolarHBondContact OG1-N 2.71Å; T3-S5 PolarHBondContact OG1-O 3.36Å; S5-N7 PolarHBondContact O-N 3Å; S5-N7 VanDerWaalsContact O-N 3.13Å; S5-L8 PolarHBondContact O-N 3.43Å; S5-L8 VanDerWaalsContact O-N 3.15Å; S5-V97 PolarHBondContact OG-O 2.85Å; S5-T98 WeakPolarHBondContact CB-OG1 3.06Å; S5-T98 PolarHBondContact N-OG1 2.95Å; S5-T98 WeakPolarHBondContact OG-CB 3.42Å; S5-T98 PolarHBondContact OG-OG1 3.14Å
6	P	85.3	Confident	89.3	Confident	107 Å²	107	62 Å²	62	70%	0.695	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.9	-173.4	26.7	-35.7	0	0	0	113.5	F9	P6-F9 WeakPolarHBondContact O-CE2 3.47Å
7	N	89.5	Confident	89.8	Confident	79 Å²	79	60.5 Å²	60.5	42%	0.422	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.1	-178.3	-62.9	-20.5	0	0	0	113.7	S5 A31 L32	S5-N7 PolarHBondContact O-N 3Å; S5-N7 VanDerWaalsContact O-N 3.13Å; N7-A31 WeakPolarHBondContact O-CA 3.46Å; N7-L32 PolarHBondContact O-N 3.37Å
8	L	91	Very high	90.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.9	-173.4	-69.2	174.4	0	0	0	111.8	T3 S5 V29 A31 I35 V90 T98	T3-L8 WeakPolarHBondContact CB-O 3.46Å; T3-L8 WeakPolarHBondContact CG2-O 3.41Å; T3-L8 PolarHBondContact N-O 3.42Å; T3-L8 WeakPolarHBondContact OG1-CB 3.31Å; T3-L8 PolarHBondContact OG1-O 3.36Å; S5-L8 PolarHBondContact O-N 3.43Å; S5-L8 VanDerWaalsContact O-N 3.15Å; L8-V29 HydrophobicContact CD2-CG1 4.32Å; L8-A31 HydrophobicContact CD2-CB 3.85Å; L8-I35 HydrophobicContact CD2-CD1 4.41Å; L8-V90 HydrophobicContact CD1-CG2 4.05Å; L8-V90 HydrophobicContact CD2-CG2 4.28Å; L8-T98 HydrophobicContact CB-CG2 4.13Å; L8-T98 HydrophobicContact CD1-CG2 3.74Å
9	F	93.9	Very high	90.4	Very high	71 Å²	71	61.2 Å²	61.2	31%	0.311	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.6	178.7	-69.7	-101.1	0	0	0	109.4	M1 A2 P6 V29 I30 L32	M1-F9 VanDerWaalsContact O-CA 3.31Å; M1-F9 WeakPolarHBondContact O-CA 3.5Å; M1-F9 WeakPolarHBondContact O-CB 3.44Å; M1-F9 WeakPolarHBondContact O-CD1 3.29Å; A2-F9 HydrophobicContact CB-CD1 4.24Å; A2-F9 HydrophobicContact CB-CE1 3.82Å; A2-F9 HydrophobicContact CB-CZ 4.44Å; P6-F9 WeakPolarHBondContact O-CE2 3.47Å; F9-V29 CarbonylContact O-C 3.48Å; F9-V29 WeakPolarHBondContact O-CA 3.4Å; F9-I30 HydrophobicContact CB-CB 4.43Å; F9-I30 PolarHBondContact N-O 3.25Å; F9-I30 PolarHBondContact O-N 3.42Å; F9-L32 HydrophobicContact CD2-CD1 4.27Å; F9-L32 HydrophobicContact CD2-CD2 4.47Å; F9-L32 HydrophobicContact CD2-CG 4.07Å; F9-L32 HydrophobicContact CE2-CD1 3.52Å; F9-L32 HydrophobicContact CE2-CD2 4.44Å; F9-L32 HydrophobicContact CE2-CG 3.82Å; F9-L32 HydrophobicContact CZ-CD1 4.28Å
10	C	93.6	Very high	90.7	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.034	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.5	171.3	77.1	0	0	0	0	112.7	M1 T3 F27 T28 V29 I88 Y100	M1-C10 PolarHBondContact N-O 2.89Å; M1-C10 PolarHBondContact O-N 2.96Å; T3-C10 HydrophobicContact CG2-CB 4.46Å; C10-F27 HydrophobicContact CB-CE2 3.9Å; C10-F27 HydrophobicContact CB-CZ 3.68Å; C10-T28 CarbonylContact C-O 3.54Å; C10-T28 WeakPolarHBondContact CA-O 3.21Å; C10-T28 VanDerWaalsContact CB-O 3.32Å; C10-T28 WeakPolarHBondContact CB-O 3.26Å; C10-V29 HydrophobicContact CB-CG2 4.37Å; C10-I88 HydrophobicContact CB-CD1 4.29Å; C10-Y100 VanDerWaalsContact SG-CD1 3.6Å
11	S	94	Very high	91	Very high	20 Å²	20	63.8 Å²	63.8	14%	0.14	34%	0.335	C	S	.	.			trans	-53.7	145.7	165.6	55.5	0	0	0	0	111.2	F27 T28	S11-F27 WeakPolarHBondContact OG-CA 3.34Å; S11-F27 WeakPolarHBondContact OG-CD2 3.2Å; S11-T28 PolarHBondContact N-O 3.27Å; S11-T28 PolarHBondContact OG-N 3.1Å; S11-T28 PolarHBondContact OG-O 3.4Å
12	E	93.5	Very high	91.7	Very high	142 Å²	142	61.6 Å²	61.6	66%	0.664	33%	0.329	S	S	*	.			trans	-65.6	150.6	170.4	-80.4	175.3	-140	0	0	112.4	M1	M1-E12 HydrophobicContact CG-CG 3.52Å; M1-E12 HydrophobicContact SD-CG 3.62Å
13	L	95.1	Very high	92.4	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.073	31%	0.309	C	S	.	.			trans	-116.9	146.7	176.7	-74.2	175.7	0	0	0	110.6	R15 L23 F27 F74 L86 A103 I104	L13-R15 PolarHBondContact O-N 2.96Å; L13-L23 HydrophobicContact CD2-CD1 3.56Å; L13-L23 HydrophobicContact CD2-CD2 3.88Å; L13-L23 HydrophobicContact CD2-CG 4.34Å; L13-F27 HydrophobicContact CD1-CD2 4.11Å; L13-F27 HydrophobicContact CD1-CE2 3.95Å; L13-F27 HydrophobicContact CD2-CD2 3.74Å; L13-F27 HydrophobicContact CD2-CE2 4.36Å; L13-F27 HydrophobicContact CG-CD2 3.93Å; L13-F27 HydrophobicContact CG-CE2 4.05Å; L13-F74 HydrophobicContact CD1-CZ 4.26Å; L13-L86 HydrophobicContact CD1-CD1 3.49Å; L13-L86 VanDerWaalsContact CD1-CD1 3.49Å; L13-A103 HydrophobicContact CD1-CB 4.42Å; L13-I104 HydrophobicContact CB-CD1 4.34Å; L13-I104 HydrophobicContact CD1-CG2 4.45Å
14	P	95.4	Very high	93	Very high	33 Å²	33	62.6 Å²	62.6	21%	0.214	33%	0.329	C	S	.	.			trans	-59.9	126.2	174.4	-21.4	32.7	0	0	0	110.5	H16 W17 P24 I104	P14-H16 PolarHBondContact O-N 2.75Å; P14-W17 HydrophobicContact CB-CE3 3.87Å; P14-W17 HydrophobicContact CB-CZ3 4.49Å; P14-W17 HydrophobicContact CG-CD2 4.31Å; P14-W17 HydrophobicContact CG-CE3 3.92Å; P14-W17 HydrophobicContact CG-CZ3 4.34Å; P14-P24 HydrophobicContact CG-CG 3.53Å; P14-I104 WeakPolarHBondContact O-CD1 3.27Å; P14-I104 VanDerWaalsContact O-CG1 3.31Å; P14-I104 WeakPolarHBondContact O-CG1 3.48Å
15	R	95.3	Very high	93.8	Very high	215 Å²	215	64.4 Å²	64.4	81%	0.811	33%	0.328	S	S	*	.	S	Bend	trans	-52.6	-24.7	179.8	-63.6	-173.2	-178.7	-157.9	0.9	113.4	L13 M83 K105	L13-R15 PolarHBondContact O-N 2.96Å; R15-M83 WeakPolarHBondContact O-CE 3.48Å; R15-K105 VanDerWaalsContact O-CB 3.31Å; R15-K105 WeakPolarHBondContact O-CB 3.33Å; R15-K105 PolarHBondContact O-N 3.43Å
16	H	95.9	Very high	94.5	Very high	47 Å²	47	65.1 Å²	65.1	22%	0.218	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.7	171.7	-176.7	-171.8	0	0	0	110	P14 K105 T107 G110 P111	P14-H16 PolarHBondContact O-N 2.75Å; H16-K105 CarbonylContact C-O 3.12Å; H16-K105 WeakPolarHBondContact CA-O 3.05Å; H16-K105 HydrophobicContact CB-CB 4.41Å; H16-K105 PolarHBondContact CD2-O 2.95Å; H16-K105 WeakPolarHBondContact ND1-CE 3.45Å; H16-T107 WeakPolarHBondContact NE2-CG2 3.41Å; H16-T107 PolarHBondContact NE2-OG1 2.89Å; H16-G110 PolarHBondContact CE1-O 2.94Å; H16-G110 VanDerWaalsContact NE2-C 3.32Å; H16-G110 PolarHBondContact NE2-O 3.03Å; H16-P111 HydrophobicContact CB-CG 4.25Å; H16-P111 WeakPolarHBondContact O-CD 3.4Å; H16-P111 WeakPolarHBondContact O-CG 3.23Å
17	W	97.3	Very high	95	Very high	36 Å²	36	60 Å²	60	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	169.7	175.5	-155.2	-118.9	0	0	0	114.1	P14 K21 S22 L23 P24 I104 K105 I106 T107 G110	P14-W17 HydrophobicContact CB-CE3 3.87Å; P14-W17 HydrophobicContact CB-CZ3 4.49Å; P14-W17 HydrophobicContact CG-CD2 4.31Å; P14-W17 HydrophobicContact CG-CE3 3.92Å; P14-W17 HydrophobicContact CG-CZ3 4.34Å; W17-K21 HydrophobicContact CZ2-CD 3.75Å; W17-K21 HydrophobicContact CZ2-CG 4.32Å; W17-K21 PolarHBondContact NE1-O 3.19Å; W17-S22 VanDerWaalsContact CE2-O 3.29Å; W17-S22 WeakPolarHBondContact CZ2-O 3.38Å; W17-S22 PolarHBondContact NE1-O 3.49Å; W17-L23 HydrophobicContact CG-CD2 4.4Å; W17-P24 HydrophobicContact CH2-CB 4.06Å; W17-P24 HydrophobicContact CH2-CG 3.99Å; W17-P24 HydrophobicContact CZ2-CG 4.39Å; W17-P24 HydrophobicContact CZ3-CG 4.23Å; W17-I104 HydrophobicContact CB-CD1 3.87Å; W17-I104 HydrophobicContact CB-CG1 4.49Å; W17-K105 PolarHBondContact N-O 3.43Å; W17-I106 HydrophobicContact CB-CD1 3.92Å; W17-T107 PolarHBondContact O-N 3.47Å; W17-G110 WeakPolarHBondContact O-CA 3.31Å
18	R	96.3	Very high	95.4	Very high	106 Å²	106	57.8 Å²	57.8	40%	0.4	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.4	-179.8	-174	178.1	-179.4	98.8	4.3	110.9	K21 T107 V108 D109	R18-K21 HydrophobicContact CB-CB 3.93Å; R18-K21 HydrophobicContact CB-CD 4.21Å; R18-K21 HydrophobicContact CG-CB 4.31Å; R18-K21 WeakPolarHBondContact O-CB 3.32Å; R18-K21 PolarHBondContact O-N 2.69Å; R18-T107 WeakPolarHBondContact CA-O 3.47Å; R18-V108 WeakPolarHBondContact CG-O 3.32Å; R18-V108 PolarHBondContact NE-O 3.06Å; R18-V108 PolarHBondContact NH1-O 2.78Å; R18-V108 PolarHBondContact NH2-O 3.37Å; R18-D109 WeakPolarHBondContact CD-O 3.31Å; R18-D109 WeakPolarHBondContact CG-O 3.32Å; R18-D109 PolarHBondContact NH1-O 2.76Å; R18-D109 VanDerWaalsContact NH1-O 3.09Å; R18-D109 IonicContact NH1-OD1 3.34Å; R18-D109 PolarHBondContact NH1-OD1 3.34Å
19	S	96.4	Very high	95.6	Very high	28 Å²	28	57.7 Å²	57.7	20%	0.196	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.3	175.6	56.4	0	0	0	0	112.8	K21 F74 T107	S19-K21 PolarHBondContact O-N 3.42Å; S19-K21 VanDerWaalsContact O-N 3.13Å; S19-F74 CarbonylContact C-O 3.56Å; S19-F74 VanDerWaalsContact CA-O 3.27Å; S19-F74 WeakPolarHBondContact CA-O 3.46Å; S19-T107 PolarHBondContact N-O 2.98Å
20	N	96.4	Very high	95.7	Very high	72 Å²	72	57.6 Å²	57.6	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	12.8	-177.1	-163.8	30	0	0	0	115.5	R56 R73 F74 L75	N20-R56 PolarHBondContact OD1-NH1 2.89Å; N20-R73 WeakPolarHBondContact O-CD 3.45Å; N20-R73 PolarHBondContact O-NH1 3.16Å; N20-F74 PolarHBondContact N-O 3.41Å; N20-L75 HydrophobicContact CB-CD1 3.9Å; N20-L75 HydrophobicContact CB-CG 4.2Å
21	K	96.1	Very high	95.7	Very high	105 Å²	105	57.7 Å²	57.7	46%	0.457	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-90.7	134.6	167.5	-168.4	-173.8	176.9	-170.8	0	109.4	W17 R18 S19	W17-K21 HydrophobicContact CZ2-CD 3.75Å; W17-K21 HydrophobicContact CZ2-CG 4.32Å; W17-K21 PolarHBondContact NE1-O 3.19Å; R18-K21 HydrophobicContact CB-CB 3.93Å; R18-K21 HydrophobicContact CB-CD 4.21Å; R18-K21 HydrophobicContact CG-CB 4.31Å; R18-K21 WeakPolarHBondContact O-CB 3.32Å; R18-K21 PolarHBondContact O-N 2.69Å; S19-K21 PolarHBondContact O-N 3.42Å; S19-K21 VanDerWaalsContact O-N 3.13Å
22	S	96.7	Very high	95.6	Very high	43 Å²	43	62.4 Å²	62.4	30%	0.301	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-49.3	143.5	168.4	-58.6	0	0	0	0	111.5	W17 D71 R73	W17-S22 VanDerWaalsContact CE2-O 3.29Å; W17-S22 WeakPolarHBondContact CZ2-O 3.38Å; W17-S22 PolarHBondContact NE1-O 3.49Å; S22-D71 WeakPolarHBondContact CA-OD1 3.37Å; S22-D71 WeakPolarHBondContact CB-OD1 3.47Å; S22-D71 PolarHBondContact OG-OD1 3.24Å; S22-D71 PolarHBondContact OG-OD2 3.27Å; S22-R73 PolarHBondContact OG-NE 2.83Å; S22-R73 PolarHBondContact OG-NH2 3.21Å
23	L	96.4	Very high	95.4	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68.3	153.8	174	-68.2	168	0	0	0	110.7	L13 W17 V25 F27 L72 F74 I104	L13-L23 HydrophobicContact CD2-CD1 3.56Å; L13-L23 HydrophobicContact CD2-CD2 3.88Å; L13-L23 HydrophobicContact CD2-CG 4.34Å; W17-L23 HydrophobicContact CG-CD2 4.4Å; L23-V25 VanDerWaalsContact C-N 3.26Å; L23-V25 VanDerWaalsContact CB-O 3.23Å; L23-V25 WeakPolarHBondContact CB-O 3.41Å; L23-V25 PolarHBondContact O-N 2.96Å; L23-F27 HydrophobicContact CD1-CB 4.17Å; L23-L72 HydrophobicContact CD1-CB 4.2Å; L23-L72 HydrophobicContact CD1-CD2 4.2Å; L23-L72 HydrophobicContact CD1-CG 4.33Å; L23-F74 HydrophobicContact CD1-CE2 4.4Å; L23-F74 HydrophobicContact CD2-CE2 4.32Å; L23-I104 HydrophobicContact CD2-CD1 4.28Å
24	P	95.4	Very high	95.2	Very high	83 Å²	83	65 Å²	65	54%	0.539	34%	0.337	S	S	.	.	S	Bend	trans	-72.8	-21.7	178.7	30.8	-33.9	0	0	0	112.8	P14 W17	P14-P24 HydrophobicContact CG-CG 3.53Å; W17-P24 HydrophobicContact CH2-CB 4.06Å; W17-P24 HydrophobicContact CH2-CG 3.99Å; W17-P24 HydrophobicContact CZ2-CG 4.39Å; W17-P24 HydrophobicContact CZ3-CG 4.23Å
25	V	95.3	Very high	95.1	Very high	96 Å²	96	63.7 Å²	63.7	58%	0.582	33%	0.328	S	S	*	.	S	Bend	trans	-128.1	139.7	172.5	-178.4	0	0	0	0	106.9	L23 F27	L23-V25 VanDerWaalsContact C-N 3.26Å; L23-V25 VanDerWaalsContact CB-O 3.23Å; L23-V25 WeakPolarHBondContact CB-O 3.41Å; L23-V25 PolarHBondContact O-N 2.96Å; V25-F27 PolarHBondContact O-N 3.06Å
26	A	95.4	Very high	95	Very high	42 Å²	42	61 Å²	61	35%	0.347	32%	0.323	S	S	.	.			trans	-65.9	129.8	175.9	0	0	0	0	0	109.9	T28	A26-T28 PolarHBondContact O-N 2.93Å
27	F	96.8	Very high	95	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	33%	0.331	C	S	.	.			trans	-67	132.3	-179.9	-172.6	-105.5	0	0	0	110.4	C10 S11 L13 L23 V25 V29 V43 F69 L72 L86 I88	C10-F27 HydrophobicContact CB-CE2 3.9Å; C10-F27 HydrophobicContact CB-CZ 3.68Å; S11-F27 WeakPolarHBondContact OG-CA 3.34Å; S11-F27 WeakPolarHBondContact OG-CD2 3.2Å; L13-F27 HydrophobicContact CD1-CD2 4.11Å; L13-F27 HydrophobicContact CD1-CE2 3.95Å; L13-F27 HydrophobicContact CD2-CD2 3.74Å; L13-F27 HydrophobicContact CD2-CE2 4.36Å; L13-F27 HydrophobicContact CG-CD2 3.93Å; L13-F27 HydrophobicContact CG-CE2 4.05Å; L23-F27 HydrophobicContact CD1-CB 4.17Å; V25-F27 PolarHBondContact O-N 3.06Å; F27-V29 HydrophobicContact CE1-CG2 3.71Å; F27-V29 HydrophobicContact CZ-CG2 4.24Å; F27-V43 HydrophobicContact CD1-CG2 4.27Å; F27-V43 HydrophobicContact CE1-CG2 3.77Å; F27-F69 HydrophobicContact CB-CB 4.32Å; F27-F69 AromaticContact CD1-CD2 3.6Å; F27-F69 HydrophobicContact CD1-CD2 3.6Å; F27-F69 AromaticContact CD1-CE2 3.94Å; F27-F69 HydrophobicContact CD1-CE2 3.94Å; F27-F69 HydrophobicContact CD1-CG 4.07Å; F27-F69 HydrophobicContact CE1-CD2 4.32Å; F27-F69 HydrophobicContact CE1-CE2 4.19Å; F27-F69 WeakPolarHBondContact O-CB 3.43Å; F27-F69 WeakPolarHBondContact O-CD2 3.37Å; F27-F69 PolarHBondContact O-N 3.34Å; F27-L72 HydrophobicContact CB-CB 4.26Å; F27-L72 HydrophobicContact CB-CD2 3.63Å; F27-L72 HydrophobicContact CD1-CD2 3.7Å; F27-L72 HydrophobicContact CD2-CD2 4.41Å; F27-L72 HydrophobicContact CE1-CD2 4.49Å; F27-L72 HydrophobicContact CG-CD2 3.66Å; F27-L86 HydrophobicContact CZ-CD1 4.44Å; F27-I88 HydrophobicContact CZ-CD1 4.11Å
28	T	96.3	Very high	94.9	Very high	31 Å²	31	63 Å²	63	19%	0.19	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.5	176.2	59.1	0	0	0	0	110.5	C10 S11 A26 A67 R68	C10-T28 CarbonylContact C-O 3.54Å; C10-T28 WeakPolarHBondContact CA-O 3.21Å; C10-T28 VanDerWaalsContact CB-O 3.32Å; C10-T28 WeakPolarHBondContact CB-O 3.26Å; S11-T28 PolarHBondContact N-O 3.27Å; S11-T28 PolarHBondContact OG-N 3.1Å; S11-T28 PolarHBondContact OG-O 3.4Å; A26-T28 PolarHBondContact O-N 2.93Å; T28-A67 WeakPolarHBondContact CA-O 3.3Å; T28-R68 HydrophobicContact CG2-CB 4.15Å; T28-R68 HydrophobicContact CG2-CG 4.14Å
29	V	95.8	Very high	95	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.1	165.4	176.3	0	0	0	0	107.3	L8 F9 C10 F27 V41 V66 A67 F69 I88	L8-V29 HydrophobicContact CD2-CG1 4.32Å; F9-V29 CarbonylContact O-C 3.48Å; F9-V29 WeakPolarHBondContact O-CA 3.4Å; C10-V29 HydrophobicContact CB-CG2 4.37Å; F27-V29 HydrophobicContact CE1-CG2 3.71Å; F27-V29 HydrophobicContact CZ-CG2 4.24Å; V29-V41 HydrophobicContact CG2-CG1 4.49Å; V29-V66 WeakPolarHBondContact O-CA 3.47Å; V29-A67 HydrophobicContact CB-CB 4.39Å; V29-A67 PolarHBondContact N-O 3Å; V29-A67 PolarHBondContact O-N 3.42Å; V29-F69 HydrophobicContact CB-CE2 4.48Å; V29-F69 HydrophobicContact CG2-CE2 3.88Å; V29-I88 HydrophobicContact CG1-CG2 4.21Å; V29-I88 HydrophobicContact CG2-CD1 4.17Å; V29-I88 HydrophobicContact CG2-CG2 3.86Å
30	I	95.6	Very high	95	Very high	69 Å²	69	62.5 Å²	62.5	35%	0.354	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	-176.1	-54.8	173.8	0	0	0	107.5	F9 Q65 V66	F9-I30 HydrophobicContact CB-CB 4.43Å; F9-I30 PolarHBondContact N-O 3.25Å; F9-I30 PolarHBondContact O-N 3.42Å; I30-Q65 WeakPolarHBondContact CA-O 3.28Å; I30-V66 HydrophobicContact CG1-CG1 4.45Å; I30-V66 HydrophobicContact CG1-CG2 4.31Å; I30-V66 HydrophobicContact CG2-CG2 4.45Å
31	A	94.1	Very high	95	Very high	6 Å²	6	59 Å²	59	5%	0.05	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.4	179.6	0	0	0	0	0	112.2	N7 L8 I35 M62 Q65	N7-A31 WeakPolarHBondContact O-CA 3.46Å; L8-A31 HydrophobicContact CD2-CB 3.85Å; A31-I35 HydrophobicContact CB-CD1 3.55Å; A31-I35 HydrophobicContact CB-CG1 4.47Å; A31-M62 HydrophobicContact CB-CE 4.21Å; A31-Q65 PolarHBondContact N-O 2.87Å; A31-Q65 PolarHBondContact O-NE2 2.99Å
32	L	91.8	Very high	95	Very high	120 Å²	120	54.6 Å²	54.6	63%	0.628	31%	0.312	S	S	*	.	S	Bend	trans	-82.1	-38.1	173	-58.9	-172.4	0	0	0	111.9	N7 F9	N7-L32 PolarHBondContact O-N 3.37Å; F9-L32 HydrophobicContact CD2-CD1 4.27Å; F9-L32 HydrophobicContact CD2-CD2 4.47Å; F9-L32 HydrophobicContact CD2-CG 4.07Å; F9-L32 HydrophobicContact CE2-CD1 3.52Å; F9-L32 HydrophobicContact CE2-CD2 4.44Å; F9-L32 HydrophobicContact CE2-CG 3.82Å; F9-L32 HydrophobicContact CZ-CD1 4.28Å
33	G	89.5	Confident	95	Very high	33 Å²	33	52.5 Å²	52.5	34%	0.34	30%	0.298	S	S	.	.	S	Bend	trans	-85.5	138.6	175.9	0	0	0	0	0	112	I35 Q65	G33-I35 PolarHBondContact O-N 3Å; G33-Q65 VanDerWaalsContact C-NE2 3.33Å; G33-Q65 PolarHBondContact O-NE2 2.94Å
34	H	90.9	Very high	95	Very high	176 Å²	176	55.6 Å²	55.6	82%	0.815	31%	0.31	S	S	*	.			trans	-55.4	119.9	-175	177.4	-84.4	0	0	0	113.2
35	I	93.3	Very high	95	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	29%	0.286	C	S	.	.			trans	-120.1	135.5	174.8	-72	164.1	0	0	0	108.1	L8 A31 G33 D37 T39 M62 Q65 V90 T92	L8-I35 HydrophobicContact CD2-CD1 4.41Å; A31-I35 HydrophobicContact CB-CD1 3.55Å; A31-I35 HydrophobicContact CB-CG1 4.47Å; G33-I35 PolarHBondContact O-N 3Å; I35-D37 PolarHBondContact O-N 2.8Å; I35-T39 HydrophobicContact CG2-CG2 3.83Å; I35-M62 HydrophobicContact CB-CG 4.36Å; I35-M62 HydrophobicContact CD1-CE 3.92Å; I35-M62 HydrophobicContact CG2-CB 4.28Å; I35-M62 HydrophobicContact CG2-CE 4.36Å; I35-M62 HydrophobicContact CG2-CG 3.88Å; I35-Q65 PolarHBondContact O-OE1 2.8Å; I35-V90 HydrophobicContact CD1-CG1 3.97Å; I35-V90 HydrophobicContact CG2-CG1 4.37Å; I35-T92 HydrophobicContact CG1-CG2 4.24Å; I35-T92 HydrophobicContact CG2-CG2 4.07Å
36	K	93.8	Very high	95	Very high	160 Å²	160	47.8 Å²	47.8	70%	0.696	26%	0.264	S	S	*	.			trans	-61.5	128.6	-179.7	-172.1	-178.7	175.7	177.6	0	111.2	T39	K36-T39 WeakPolarHBondContact O-CB 3.29Å; K36-T39 PolarHBondContact O-N 3.04Å; K36-T39 PolarHBondContact O-OG1 3.35Å; K36-T39 VanDerWaalsContact O-OG1 3.11Å
37	D	95.6	Very high	95	Very high	74 Å²	74	47.1 Å²	47.1	40%	0.396	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140.4	171.5	-86.5	15.5	0	0	0	111.4	I35 T63 N64	I35-D37 PolarHBondContact O-N 2.8Å; D37-T63 VanDerWaalsContact OD1-CA 3.3Å; D37-T63 WeakPolarHBondContact OD1-CA 3.41Å; D37-T63 WeakPolarHBondContact OD2-CA 3.49Å; D37-N64 VanDerWaalsContact CG-N 3.29Å; D37-N64 PolarHBondContact OD1-N 2.83Å; D37-N64 PolarHBondContact OD2-N 2.88Å
38	G	96.1	Very high	94.8	Very high	51 Å²	51	54.4 Å²	54.4	53%	0.526	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-14	-167.6	0	0	0	0	0	114.5	K40 M62	G38-K40 PolarHBondContact O-N 2.82Å; G38-M62 PolarHBondContact N-O 3.11Å
39	T	96.6	Very high	94.6	Very high	20 Å²	20	58 Å²	58	12%	0.123	30%	0.304	C	S	.	.			trans	-59.8	126.3	174.1	-78.6	0	0	0	0	111	I35 K36 M62 V90 T92	I35-T39 HydrophobicContact CG2-CG2 3.83Å; K36-T39 WeakPolarHBondContact O-CB 3.29Å; K36-T39 PolarHBondContact O-N 3.04Å; K36-T39 PolarHBondContact O-OG1 3.35Å; K36-T39 VanDerWaalsContact O-OG1 3.11Å; T39-M62 WeakPolarHBondContact O-CB 3.13Å; T39-M62 PolarHBondContact O-N 2.96Å; T39-V90 HydrophobicContact CG2-CG1 3.64Å; T39-T92 HydrophobicContact CG2-CG2 4.15Å
40	K	96.7	Very high	94.3	Very high	102 Å²	102	60.1 Å²	60.1	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.5	177.1	-173.2	176.3	-175.9	175	0	110.7	G38 I61 H91	G38-K40 PolarHBondContact O-N 2.82Å; K40-I61 HydrophobicContact CB-CD1 4.42Å; K40-H91 HydrophobicContact CB-CB 4.19Å; K40-H91 WeakPolarHBondContact O-CB 3.43Å; K40-H91 PolarHBondContact O-CD2 2.97Å; K40-H91 VanDerWaalsContact O-CD2 3.25Å; K40-H91 PolarHBondContact O-N 3.46Å
41	V	96.7	Very high	94.1	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134	168.4	-170.9	0	0	0	0	108.4	V29 T59 A60 M62 A67 F69 I88 I89 V90	V29-V41 HydrophobicContact CG2-CG1 4.49Å; V41-T59 CarbonylContact O-C 3.56Å; V41-T59 VanDerWaalsContact O-CA 3.3Å; V41-T59 WeakPolarHBondContact O-CA 3.48Å; V41-A60 PolarHBondContact N-O 3.16Å; V41-A60 PolarHBondContact O-N 3.18Å; V41-M62 HydrophobicContact CG2-CE 3.9Å; V41-A67 HydrophobicContact CB-CB 3.98Å; V41-A67 HydrophobicContact CG2-CB 3.54Å; V41-F69 HydrophobicContact CB-CZ 4.17Å; V41-F69 HydrophobicContact CG1-CE2 4.44Å; V41-F69 HydrophobicContact CG1-CZ 3.94Å; V41-I88 HydrophobicContact CG1-CG2 3.86Å; V41-I89 CarbonylContact C-O 3.54Å; V41-I89 WeakPolarHBondContact CA-O 3.2Å; V41-V90 HydrophobicContact CG1-CG2 4.16Å; V41-V90 HydrophobicContact CG2-CG1 4.42Å; V41-V90 HydrophobicContact CG2-CG2 4.25Å
42	S	96.7	Very high	94	Very high	11 Å²	11	66.7 Å²	66.7	8%	0.077	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.5	178.6	62.5	0	0	0	0	112.1	N58 I89 H91	S42-N58 CarbonylContact C-O 3.56Å; S42-N58 VanDerWaalsContact CA-O 3.28Å; S42-N58 WeakPolarHBondContact CA-O 3.46Å; S42-I89 PolarHBondContact N-O 3.01Å; S42-I89 PolarHBondContact O-N 2.91Å; S42-H91 PolarHBondContact OG-NE2 2.82Å
43	V	96.5	Very high	94.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.3	174.4	179.6	0	0	0	0	109.7	F27 L55 N58 F69 L86 T87 I88	F27-V43 HydrophobicContact CD1-CG2 4.27Å; F27-V43 HydrophobicContact CE1-CG2 3.77Å; V43-L55 HydrophobicContact CG1-CD1 4.12Å; V43-N58 PolarHBondContact N-O 2.84Å; V43-N58 WeakPolarHBondContact O-CB 3.48Å; V43-N58 PolarHBondContact O-ND2 3.13Å; V43-F69 HydrophobicContact CB-CE1 4.49Å; V43-F69 HydrophobicContact CG2-CD1 4.45Å; V43-F69 HydrophobicContact CG2-CE1 3.69Å; V43-F69 HydrophobicContact CG2-CE2 4.34Å; V43-F69 HydrophobicContact CG2-CZ 3.64Å; V43-L86 HydrophobicContact CG1-CB 4.47Å; V43-L86 HydrophobicContact CG1-CD1 4.47Å; V43-L86 HydrophobicContact CG1-CD2 4.42Å; V43-T87 CarbonylContact C-O 3.17Å; V43-I88 HydrophobicContact CG2-CG1 4.41Å
44	K	96.4	Very high	94.5	Very high	87 Å²	87	65.7 Å²	65.7	38%	0.378	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	160.9	160.9	-62.5	-71.8	-172.1	160.1	0	108.6	L86 T87	K44-L86 WeakPolarHBondContact O-CA 3.37Å; K44-T87 PolarHBondContact N-O 2.86Å; K44-T87 PolarHBondContact O-N 2.9Å
45	A	96.4	Very high	94.8	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.8	176.5	0	0	0	0	0	108.9	A53 L55 F74 F84 T85 L86	A45-A53 HydrophobicContact CB-CB 4.19Å; A45-A53 WeakPolarHBondContact O-CB 3.14Å; A45-A53 PolarHBondContact O-N 2.96Å; A45-L55 HydrophobicContact CB-CD1 4.2Å; A45-L55 HydrophobicContact CB-CD2 4.09Å; A45-L55 HydrophobicContact CB-CG 4.5Å; A45-F74 HydrophobicContact CB-CD1 4.37Å; A45-F74 HydrophobicContact CB-CE1 4.04Å; A45-F84 HydrophobicContact CB-CB 4.23Å; A45-F84 HydrophobicContact CB-CD2 4.26Å; A45-F84 HydrophobicContact CB-CG 4.16Å; A45-T85 WeakPolarHBondContact CA-O 3.33Å; A45-L86 HydrophobicContact CB-CD2 3.55Å
46	G	95.3	Very high	94.9	Very high	12 Å²	12	63.1 Å²	63.1	12%	0.124	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	162.3	-177.6	0	0	0	0	0	113.5	N50 F51 T85	G46-N50 WeakPolarHBondContact CA-O 3.44Å; G46-F51 WeakPolarHBondContact CA-O 3.3Å; G46-T85 PolarHBondContact N-O 2.8Å; G46-T85 PolarHBondContact O-N 3.05Å
47	N	94.8	Very high	95.1	Very high	28 Å²	28	58.9 Å²	58.9	15%	0.15	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-163.5	-177.8	163.6	66.7	20.7	0	0	0	110.5	E49 N50 F51 S78 M83	N47-E49 PolarHBondContact O-N 3.01Å; N47-E49 VanDerWaalsContact O-N 3.1Å; N47-E49 PolarHBondContact OD1-N 2.91Å; N47-N50 PolarHBondContact N-O 2.87Å; N47-N50 VanDerWaalsContact N-O 3.11Å; N47-N50 CarbonylContact O-C 3.57Å; N47-N50 PolarHBondContact O-N 3.33Å; N47-N50 PolarHBondContact OD1-N 3.27Å; N47-F51 WeakPolarHBondContact O-CA 3.42Å; N47-F51 PolarHBondContact O-N 3.36Å; N47-S78 PolarHBondContact ND2-O 2.87Å; N47-M83 PolarHBondContact ND2-O 3.11Å
48	E	92.7	Very high	95.1	Very high	154 Å²	154	57.1 Å²	57.1	72%	0.72	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.3	177.4	-60.2	156.8	-164	0	0	115.8
49	E	90.7	Very high	95.2	Very high	107 Å²	107	58 Å²	58	50%	0.5	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-18.8	-178.5	-161.2	164.1	127.7	0	0	112.4	N47 G79 K82	N47-E49 PolarHBondContact O-N 3.01Å; N47-E49 VanDerWaalsContact O-N 3.1Å; N47-E49 PolarHBondContact OD1-N 2.91Å; E49-G79 WeakPolarHBondContact OE1-CA 3.48Å; E49-K82 HydrophobicContact CB-CD 4.03Å; E49-K82 WeakPolarHBondContact OE2-CD 3.43Å; E49-K82 WeakPolarHBondContact OE2-CE 3.44Å; E49-K82 IonicContact OE2-NZ 2.8Å; E49-K82 PolarHBondContact OE2-NZ 3.21Å
50	N	90.7	Very high	95.2	Very high	43 Å²	43	57.5 Å²	57.5	23%	0.23	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-160	82.1	-170.9	-175.7	5.1	0	0	0	108.8	G46 N47 C52 K77 F84	G46-N50 WeakPolarHBondContact CA-O 3.44Å; N47-N50 PolarHBondContact N-O 2.87Å; N47-N50 VanDerWaalsContact N-O 3.11Å; N47-N50 CarbonylContact O-C 3.57Å; N47-N50 PolarHBondContact O-N 3.33Å; N47-N50 PolarHBondContact OD1-N 3.27Å; N50-C52 VanDerWaalsContact C-N 3.26Å; N50-C52 PolarHBondContact O-N 2.86Å; N50-K77 PolarHBondContact ND2-O 2.82Å; N50-F84 HydrophobicContact CB-CE1 4.19Å
51	F	91.4	Very high	95.2	Very high	152 Å²	152	57 Å²	57	67%	0.667	29%	0.285	S	S	*	.	S	Bend	trans	-57.4	-34.2	-169.7	-55.5	-73.7	0	0	0	114.1	G46 N47 F191	G46-F51 WeakPolarHBondContact CA-O 3.3Å; N47-F51 WeakPolarHBondContact O-CA 3.42Å; N47-F51 PolarHBondContact O-N 3.36Å; F51-F191 HydrophobicContact CB-CE2 4.29Å
52	C	92.3	Very high	95.2	Very high	61 Å²	61	57 Å²	57	41%	0.412	29%	0.285	S	S	.	.	S	Bend	trans	-138.2	92.5	175.1	-177.5	0	0	0	0	109.3	N50 F191	N50-C52 VanDerWaalsContact C-N 3.26Å; N50-C52 PolarHBondContact O-N 2.86Å; C52-F191 HydrophobicContact CB-CD2 4.46Å
53	A	94.3	Very high	95.2	Very high	5 Å²	5	59.8 Å²	59.8	4%	0.041	30%	0.302	C	S	.	.			trans	-69.1	136.2	-179.5	0	0	0	0	0	111.8	A45 L55 F84	A45-A53 HydrophobicContact CB-CB 4.19Å; A45-A53 WeakPolarHBondContact O-CB 3.14Å; A45-A53 PolarHBondContact O-N 2.96Å; A53-L55 PolarHBondContact O-N 2.95Å; A53-F84 HydrophobicContact CB-CD1 4.38Å; A53-F84 HydrophobicContact CB-CE1 3.58Å; A53-F84 HydrophobicContact CB-CE2 3.94Å; A53-F84 HydrophobicContact CB-CZ 3.31Å
54	E	95.9	Very high	95.2	Very high	128 Å²	128	66.2 Å²	66.2	60%	0.598	34%	0.336	S	S	*	.			trans	-62.6	129.2	172.4	-170.1	-176.8	176.9	0	0	110.5	L75 G76	E54-L75 HydrophobicContact CB-CB 3.95Å; E54-L75 HydrophobicContact CG-CB 3.9Å; E54-L75 HydrophobicContact CG-CD2 4.05Å; E54-L75 WeakPolarHBondContact O-CA 3.28Å; E54-L75 WeakPolarHBondContact O-CB 3.44Å; E54-L75 PolarHBondContact O-N 3.16Å; E54-L75 WeakPolarHBondContact OE1-CD2 3.48Å; E54-G76 PolarHBondContact O-N 2.83Å
55	L	97.3	Very high	95.1	Very high	23 Å²	23	64.1 Å²	64.1	12%	0.12	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.1	177.7	-57.5	180	0	0	0	109.6	V43 A45 A53 N58 R73 F74	V43-L55 HydrophobicContact CG1-CD1 4.12Å; A45-L55 HydrophobicContact CB-CD1 4.2Å; A45-L55 HydrophobicContact CB-CD2 4.09Å; A45-L55 HydrophobicContact CB-CG 4.5Å; A53-L55 PolarHBondContact O-N 2.95Å; L55-N58 HydrophobicContact CB-CB 3.7Å; L55-N58 HydrophobicContact CD1-CB 3.79Å; L55-N58 HydrophobicContact CG-CB 4.41Å; L55-R73 CarbonylContact C-O 3.55Å; L55-R73 WeakPolarHBondContact CA-O 3.5Å; L55-F74 HydrophobicContact CD2-CB 4.22Å; L55-F74 HydrophobicContact CD2-CD1 3.27Å; L55-F74 HydrophobicContact CD2-CE1 3.71Å; L55-F74 HydrophobicContact CD2-CG 3.91Å
56	R	96.8	Very high	95.1	Very high	105 Å²	105	66.5 Å²	66.5	40%	0.396	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.6	165.7	-73.3	176.4	67.5	-164.4	3.6	109.9	N20 N58 R73 L75	N20-R56 PolarHBondContact OD1-NH1 2.89Å; R56-N58 PolarHBondContact O-N 2.79Å; R56-R73 HydrophobicContact CB-CB 4.3Å; R56-R73 PolarHBondContact N-O 2.87Å; R56-R73 PolarHBondContact O-N 3.15Å; R56-L75 HydrophobicContact CB-CD1 4.24Å; R56-L75 HydrophobicContact CG-CD1 3.71Å; R56-L75 HydrophobicContact CG-CD2 3.85Å; R56-L75 HydrophobicContact CG-CG 4.45Å
57	N	96.6	Very high	95.2	Very high	70 Å²	70	66 Å²	66	37%	0.374	34%	0.336	S	S	.	.	S	Bend	trans	55.1	36.6	176.4	-59.4	53.6	0	0	0	112.6	T59 N70 D71	N57-T59 PolarHBondContact O-N 3.03Å; N57-N70 WeakPolarHBondContact CB-O 3.41Å; N57-N70 PolarHBondContact ND2-O 2.62Å; N57-D71 WeakPolarHBondContact CB-O 3.41Å
58	N	96.5	Very high	95.3	Very high	38 Å²	38	73.3 Å²	73.3	20%	0.203	36%	0.362	C	S	.	.			trans	-84.1	22.8	-176.2	72.8	-53.4	0	0	0	113.8	S42 V43 L55 R56 L72	S42-N58 CarbonylContact C-O 3.56Å; S42-N58 VanDerWaalsContact CA-O 3.28Å; S42-N58 WeakPolarHBondContact CA-O 3.46Å; V43-N58 PolarHBondContact N-O 2.84Å; V43-N58 WeakPolarHBondContact O-CB 3.48Å; V43-N58 PolarHBondContact O-ND2 3.13Å; L55-N58 HydrophobicContact CB-CB 3.7Å; L55-N58 HydrophobicContact CD1-CB 3.79Å; L55-N58 HydrophobicContact CG-CB 4.41Å; R56-N58 PolarHBondContact O-N 2.79Å; N58-L72 HydrophobicContact CB-CD1 3.98Å
59	T	97.1	Very high	95.5	Very high	70 Å²	70	66 Å²	66	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.8	176.4	54.6	0	0	0	0	110	V41 N57	V41-T59 CarbonylContact O-C 3.56Å; V41-T59 VanDerWaalsContact O-CA 3.3Å; V41-T59 WeakPolarHBondContact O-CA 3.48Å; N57-T59 PolarHBondContact O-N 3.03Å
60	A	97.5	Very high	95.7	Very high	9 Å²	9	67 Å²	67	7%	0.074	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	171.4	172	0	0	0	0	0	109.8	V41 A67 R68 F69	V41-A60 PolarHBondContact N-O 3.16Å; V41-A60 PolarHBondContact O-N 3.18Å; A60-A67 HydrophobicContact CB-CB 4.14Å; A60-R68 WeakPolarHBondContact CB-O 3.31Å; A60-F69 HydrophobicContact CB-CD1 3.81Å; A60-F69 HydrophobicContact CB-CD2 3.73Å; A60-F69 HydrophobicContact CB-CE1 3.76Å; A60-F69 HydrophobicContact CB-CE2 3.67Å; A60-F69 HydrophobicContact CB-CG 3.79Å; A60-F69 HydrophobicContact CB-CZ 3.69Å
61	I	97.2	Very high	96	Very high	90 Å²	90	67.2 Å²	67.2	46%	0.462	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.3	171.4	-59.4	-62.3	0	0	0	107.5	K40 A67	K40-I61 HydrophobicContact CB-CD1 4.42Å; I61-A67 WeakPolarHBondContact O-CA 3.47Å
62	M	96.7	Very high	96.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.7	172.3	-166.3	66.9	81.1	0	0	109.8	A31 I35 G38 T39 V41 V66 A67	A31-M62 HydrophobicContact CB-CE 4.21Å; I35-M62 HydrophobicContact CB-CG 4.36Å; I35-M62 HydrophobicContact CD1-CE 3.92Å; I35-M62 HydrophobicContact CG2-CB 4.28Å; I35-M62 HydrophobicContact CG2-CE 4.36Å; I35-M62 HydrophobicContact CG2-CG 3.88Å; G38-M62 PolarHBondContact N-O 3.11Å; T39-M62 WeakPolarHBondContact O-CB 3.13Å; T39-M62 PolarHBondContact O-N 2.96Å; V41-M62 HydrophobicContact CG2-CE 3.9Å; M62-V66 PolarHBondContact SD-N 2.89Å; M62-V66 VanDerWaalsContact SD-N 3.42Å; M62-A67 HydrophobicContact CE-CB 4.15Å; M62-A67 HydrophobicContact SD-CB 3.85Å; M62-A67 PolarHBondContact SD-N 3.05Å; M62-A67 VanDerWaalsContact SD-N 3.42Å
63	T	96.6	Very high	96.5	Very high	71 Å²	71	59.9 Å²	59.9	44%	0.436	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	126.7	175.7	-53.2	0	0	0	0	109.1	D37 Q65 V66	D37-T63 VanDerWaalsContact OD1-CA 3.3Å; D37-T63 WeakPolarHBondContact OD1-CA 3.41Å; D37-T63 WeakPolarHBondContact OD2-CA 3.49Å; T63-Q65 VanDerWaalsContact C-N 3.32Å; T63-Q65 PolarHBondContact O-N 2.86Å; T63-V66 PolarHBondContact N-O 2.82Å; T63-V66 PolarHBondContact O-N 3.42Å
64	N	95.4	Very high	96.7	Very high	134 Å²	134	59.7 Å²	59.7	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	53.9	-173	-64.1	-58.3	0	0	0	112.5	D37 V66	D37-N64 VanDerWaalsContact CG-N 3.29Å; D37-N64 PolarHBondContact OD1-N 2.83Å; D37-N64 PolarHBondContact OD2-N 2.88Å; N64-V66 PolarHBondContact O-N 2.81Å
65	Q	94.8	Very high	96.7	Very high	43 Å²	43	55.4 Å²	55.4	20%	0.201	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	5.4	-178.5	-60.6	-67	108.7	0	0	116.5	I30 A31 G33 I35 T63	I30-Q65 WeakPolarHBondContact CA-O 3.28Å; A31-Q65 PolarHBondContact N-O 2.87Å; A31-Q65 PolarHBondContact O-NE2 2.99Å; G33-Q65 VanDerWaalsContact C-NE2 3.33Å; G33-Q65 PolarHBondContact O-NE2 2.94Å; I35-Q65 PolarHBondContact O-OE1 2.8Å; T63-Q65 VanDerWaalsContact C-N 3.32Å; T63-Q65 PolarHBondContact O-N 2.86Å
66	V	96.3	Very high	96.5	Very high	54 Å²	54	54.8 Å²	54.8	33%	0.327	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.3	179.8	-176.1	0	0	0	0	111.7	V29 I30 M62 T63 N64	V29-V66 WeakPolarHBondContact O-CA 3.47Å; I30-V66 HydrophobicContact CG1-CG1 4.45Å; I30-V66 HydrophobicContact CG1-CG2 4.31Å; I30-V66 HydrophobicContact CG2-CG2 4.45Å; M62-V66 PolarHBondContact SD-N 2.89Å; M62-V66 VanDerWaalsContact SD-N 3.42Å; T63-V66 PolarHBondContact N-O 2.82Å; T63-V66 PolarHBondContact O-N 3.42Å; N64-V66 PolarHBondContact O-N 2.81Å
67	A	96.9	Very high	96.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	100.7	170.4	0	0	0	0	0	109.8	T28 V29 V41 A60 I61 M62	T28-A67 WeakPolarHBondContact CA-O 3.3Å; V29-A67 HydrophobicContact CB-CB 4.39Å; V29-A67 PolarHBondContact N-O 3Å; V29-A67 PolarHBondContact O-N 3.42Å; V41-A67 HydrophobicContact CB-CB 3.98Å; V41-A67 HydrophobicContact CG2-CB 3.54Å; A60-A67 HydrophobicContact CB-CB 4.14Å; I61-A67 WeakPolarHBondContact O-CA 3.47Å; M62-A67 HydrophobicContact CE-CB 4.15Å; M62-A67 HydrophobicContact SD-CB 3.85Å; M62-A67 PolarHBondContact SD-N 3.05Å; M62-A67 VanDerWaalsContact SD-N 3.42Å
68	R	97	Very high	96.5	Very high	183 Å²	183	52 Å²	52	69%	0.691	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.3	179.3	178.1	178.3	169.7	-141.4	-1.3	110.9	T28 A60	T28-R68 HydrophobicContact CG2-CB 4.15Å; T28-R68 HydrophobicContact CG2-CG 4.14Å; A60-R68 WeakPolarHBondContact CB-O 3.31Å
69	F	97.4	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.			trans	-86.1	123.5	179.9	-68.4	-104.7	0	0	0	110.5	F27 V29 V41 V43 A60 D71 L72	F27-F69 HydrophobicContact CB-CB 4.32Å; F27-F69 AromaticContact CD1-CD2 3.6Å; F27-F69 HydrophobicContact CD1-CD2 3.6Å; F27-F69 AromaticContact CD1-CE2 3.94Å; F27-F69 HydrophobicContact CD1-CE2 3.94Å; F27-F69 HydrophobicContact CD1-CG 4.07Å; F27-F69 HydrophobicContact CE1-CD2 4.32Å; F27-F69 HydrophobicContact CE1-CE2 4.19Å; F27-F69 WeakPolarHBondContact O-CB 3.43Å; F27-F69 WeakPolarHBondContact O-CD2 3.37Å; F27-F69 PolarHBondContact O-N 3.34Å; V29-F69 HydrophobicContact CB-CE2 4.48Å; V29-F69 HydrophobicContact CG2-CE2 3.88Å; V41-F69 HydrophobicContact CB-CZ 4.17Å; V41-F69 HydrophobicContact CG1-CE2 4.44Å; V41-F69 HydrophobicContact CG1-CZ 3.94Å; V43-F69 HydrophobicContact CB-CE1 4.49Å; V43-F69 HydrophobicContact CG2-CD1 4.45Å; V43-F69 HydrophobicContact CG2-CE1 3.69Å; V43-F69 HydrophobicContact CG2-CE2 4.34Å; V43-F69 HydrophobicContact CG2-CZ 3.64Å; A60-F69 HydrophobicContact CB-CD1 3.81Å; A60-F69 HydrophobicContact CB-CD2 3.73Å; A60-F69 HydrophobicContact CB-CE1 3.76Å; A60-F69 HydrophobicContact CB-CE2 3.67Å; A60-F69 HydrophobicContact CB-CG 3.79Å; A60-F69 HydrophobicContact CB-CZ 3.69Å; F69-D71 PolarHBondContact O-N 2.9Å; F69-D71 VanDerWaalsContact O-N 3.14Å; F69-L72 HydrophobicContact CB-CB 4.05Å
70	N	95.9	Very high	96	Very high	129 Å²	129	59 Å²	59	69%	0.69	28%	0.282	S	S	*	.	S	Bend	trans	-79.4	95.8	177.8	-170	-25.3	0	0	0	109.8	N57	N57-N70 WeakPolarHBondContact CB-O 3.41Å; N57-N70 PolarHBondContact ND2-O 2.62Å
71	D	95.9	Very high	95.7	Very high	47 Å²	47	61.6 Å²	61.6	25%	0.251	31%	0.309	S	S	.	.	S	Bend	trans	58.9	53.7	177.2	-172.7	36	0	0	0	114.3	S22 N57 F69 R73	S22-D71 WeakPolarHBondContact CA-OD1 3.37Å; S22-D71 WeakPolarHBondContact CB-OD1 3.47Å; S22-D71 PolarHBondContact OG-OD1 3.24Å; S22-D71 PolarHBondContact OG-OD2 3.27Å; N57-D71 WeakPolarHBondContact CB-O 3.41Å; F69-D71 PolarHBondContact O-N 2.9Å; F69-D71 VanDerWaalsContact O-N 3.14Å; D71-R73 VanDerWaalsContact O-CG 3.32Å; D71-R73 WeakPolarHBondContact O-CG 3.42Å; D71-R73 PolarHBondContact O-N 2.65Å; D71-R73 IonicContact OD1-CZ 4Å; D71-R73 IonicContact OD1-NE 3.34Å; D71-R73 PolarHBondContact OD1-NE 2.96Å; D71-R73 IonicContact OD1-NH2 3.94Å; D71-R73 IonicContact OD2-CZ 3.13Å; D71-R73 IonicContact OD2-NE 2.76Å; D71-R73 PolarHBondContact OD2-NE 3.28Å; D71-R73 IonicContact OD2-NH2 2.67Å; D71-R73 PolarHBondContact OD2-NH2 3.38Å
72	L	97.4	Very high	95.6	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.302	C	S	.	.			trans	-54	123.4	170.1	176.1	68.3	0	0	0	110.6	L23 F27 N58 F69 F74	L23-L72 HydrophobicContact CD1-CB 4.2Å; L23-L72 HydrophobicContact CD1-CD2 4.2Å; L23-L72 HydrophobicContact CD1-CG 4.33Å; F27-L72 HydrophobicContact CB-CB 4.26Å; F27-L72 HydrophobicContact CB-CD2 3.63Å; F27-L72 HydrophobicContact CD1-CD2 3.7Å; F27-L72 HydrophobicContact CD2-CD2 4.41Å; F27-L72 HydrophobicContact CE1-CD2 4.49Å; F27-L72 HydrophobicContact CG-CD2 3.66Å; N58-L72 HydrophobicContact CB-CD1 3.98Å; F69-L72 HydrophobicContact CB-CB 4.05Å; L72-F74 HydrophobicContact CD2-CE2 4.41Å; L72-F74 HydrophobicContact CD2-CZ 4.4Å
73	R	97.3	Very high	95.6	Very high	56 Å²	56	63.4 Å²	63.4	21%	0.211	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.3	175.4	-43.5	-165.7	-171.5	-168.9	0.9	112.9	N20 S22 L55 R56 D71 L75	N20-R73 WeakPolarHBondContact O-CD 3.45Å; N20-R73 PolarHBondContact O-NH1 3.16Å; S22-R73 PolarHBondContact OG-NE 2.83Å; S22-R73 PolarHBondContact OG-NH2 3.21Å; L55-R73 CarbonylContact C-O 3.55Å; L55-R73 WeakPolarHBondContact CA-O 3.5Å; R56-R73 HydrophobicContact CB-CB 4.3Å; R56-R73 PolarHBondContact N-O 2.87Å; R56-R73 PolarHBondContact O-N 3.15Å; D71-R73 VanDerWaalsContact O-CG 3.32Å; D71-R73 WeakPolarHBondContact O-CG 3.42Å; D71-R73 PolarHBondContact O-N 2.65Å; D71-R73 IonicContact OD1-CZ 4Å; D71-R73 IonicContact OD1-NE 3.34Å; D71-R73 PolarHBondContact OD1-NE 2.96Å; D71-R73 IonicContact OD1-NH2 3.94Å; D71-R73 IonicContact OD2-CZ 3.13Å; D71-R73 IonicContact OD2-NE 2.76Å; D71-R73 PolarHBondContact OD2-NE 3.28Å; D71-R73 IonicContact OD2-NH2 2.67Å; D71-R73 PolarHBondContact OD2-NH2 3.38Å; R73-L75 HydrophobicContact CB-CD1 4.21Å
74	F	97.4	Very high	95.5	Very high	2 Å²	2	60 Å²	60	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.5	174.1	-62.2	-94.8	0	0	0	110.5	L13 S19 N20 L23 A45 L55 L72 F84 L86 I104 I106	L13-F74 HydrophobicContact CD1-CZ 4.26Å; S19-F74 CarbonylContact C-O 3.56Å; S19-F74 VanDerWaalsContact CA-O 3.27Å; S19-F74 WeakPolarHBondContact CA-O 3.46Å; N20-F74 PolarHBondContact N-O 3.41Å; L23-F74 HydrophobicContact CD1-CE2 4.4Å; L23-F74 HydrophobicContact CD2-CE2 4.32Å; A45-F74 HydrophobicContact CB-CD1 4.37Å; A45-F74 HydrophobicContact CB-CE1 4.04Å; L55-F74 HydrophobicContact CD2-CB 4.22Å; L55-F74 HydrophobicContact CD2-CD1 3.27Å; L55-F74 HydrophobicContact CD2-CE1 3.71Å; L55-F74 HydrophobicContact CD2-CG 3.91Å; L72-F74 HydrophobicContact CD2-CE2 4.41Å; L72-F74 HydrophobicContact CD2-CZ 4.4Å; F74-F84 HydrophobicContact CD1-CD2 4.12Å; F74-F84 HydrophobicContact CD1-CE2 4.3Å; F74-L86 HydrophobicContact CE1-CD2 3.69Å; F74-L86 HydrophobicContact CZ-CD1 4.48Å; F74-L86 HydrophobicContact CZ-CD2 4.03Å; F74-I104 HydrophobicContact CD1-CG2 4.41Å; F74-I104 HydrophobicContact CD2-CD1 4.25Å; F74-I104 HydrophobicContact CE1-CG2 3.88Å; F74-I104 HydrophobicContact CE2-CD1 4.02Å; F74-I104 HydrophobicContact CE2-CG2 4.35Å; F74-I104 HydrophobicContact CZ-CG2 3.85Å; F74-I106 HydrophobicContact CB-CB 4.45Å; F74-I106 HydrophobicContact CB-CD1 3.6Å; F74-I106 HydrophobicContact CB-CG1 3.62Å; F74-I106 HydrophobicContact CB-CG2 4.09Å; F74-I106 HydrophobicContact CD1-CD1 4.41Å; F74-I106 HydrophobicContact CD1-CG1 4.13Å; F74-I106 HydrophobicContact CD2-CD1 3.86Å; F74-I106 HydrophobicContact CD2-CG1 4.45Å; F74-I106 HydrophobicContact CG-CD1 3.7Å; F74-I106 HydrophobicContact CG-CG1 3.82Å
75	L	96.1	Very high	95.5	Very high	38 Å²	38	55.1 Å²	55.1	20%	0.199	27%	0.269	C	S	.	.			trans	-100	-40.8	176.9	-87.6	57.9	0	0	0	111	N20 E54 R56 R73	N20-L75 HydrophobicContact CB-CD1 3.9Å; N20-L75 HydrophobicContact CB-CG 4.2Å; E54-L75 HydrophobicContact CB-CB 3.95Å; E54-L75 HydrophobicContact CG-CB 3.9Å; E54-L75 HydrophobicContact CG-CD2 4.05Å; E54-L75 WeakPolarHBondContact O-CA 3.28Å; E54-L75 WeakPolarHBondContact O-CB 3.44Å; E54-L75 PolarHBondContact O-N 3.16Å; E54-L75 WeakPolarHBondContact OE1-CD2 3.48Å; R56-L75 HydrophobicContact CB-CD1 4.24Å; R56-L75 HydrophobicContact CG-CD1 3.71Å; R56-L75 HydrophobicContact CG-CD2 3.85Å; R56-L75 HydrophobicContact CG-CG 4.45Å; R73-L75 HydrophobicContact CB-CD1 4.21Å
76	G	94.6	Very high	95.6	Very high	10 Å²	10	53.1 Å²	53.1	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	-60.6	144.3	168.9	0	0	0	0	0	112.2	E54 F84 I106	E54-G76 PolarHBondContact O-N 2.83Å; G76-F84 WeakPolarHBondContact O-CE2 3.32Å; G76-I106 WeakPolarHBondContact O-CG2 3.35Å
77	K	95.7	Very high	95.5	Very high	117 Å²	117	51.3 Å²	51.3	51%	0.509	25%	0.249	S	C	.	.			trans	-92.2	146.4	173.8	-55.1	169.8	-163.2	174.5	0	108.8	N50 F84 I106 V108	N50-K77 PolarHBondContact ND2-O 2.82Å; K77-F84 WeakPolarHBondContact O-CZ 3.17Å; K77-I106 WeakPolarHBondContact CA-O 3.36Å; K77-V108 HydrophobicContact CD-CG2 4.02Å; K77-V108 VanDerWaalsContact CE-CG2 3.44Å
78	S	96.1	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.			trans	-88.2	-14.2	-179.5	64.2	0	0	0	0	113.9	N47 K82 K105 I106	N47-S78 PolarHBondContact ND2-O 2.87Å; S78-K82 WeakPolarHBondContact CB-O 3.4Å; S78-K82 WeakPolarHBondContact O-CB 3.47Å; S78-K82 PolarHBondContact OG-O 3.1Å; S78-K105 WeakPolarHBondContact OG-CA 3.32Å; S78-I106 PolarHBondContact N-O 3.18Å; S78-I106 VanDerWaalsContact N-O 3.09Å; S78-I106 PolarHBondContact OG-N 3.23Å
79	G	92.9	Very high	95.3	Very high	10 Å²	10	43.8 Å²	43.8	10%	0.103	22%	0.223	C	C	.	.			trans	105.8	176.7	-179.1	0	0	0	0	0	114.5	E49 G81	E49-G79 WeakPolarHBondContact OE1-CA 3.48Å; G79-G81 PolarHBondContact O-N 2.97Å
80	R	91.6	Very high	95.2	Very high	244 Å²	244	43.8 Å²	43.8	92%	0.921	22%	0.223	S	C	*	.	S	Bend	trans	-77.6	116.9	178.2	-178.5	174.8	170.5	87.5	0.5	109.4	K82	R80-K82 PolarHBondContact O-N 2.86Å
81	G	89.9	Confident	95.2	Very high	63 Å²	63	41.8 Å²	41.8	65%	0.649	21%	0.209	S	C	*	.	S	Bend	trans	79.4	-30.3	-179	0	0	0	0	0	114.4	G79	G79-G81 PolarHBondContact O-N 2.97Å
82	K	95.2	Very high	95	Very high	71 Å²	71	40.9 Å²	40.9	31%	0.309	21%	0.205	S	C	.	.			trans	-70.7	151	178.7	-67.8	178.5	-173.7	162.5	0	113.9	E49 S78 R80	E49-K82 HydrophobicContact CB-CD 4.03Å; E49-K82 WeakPolarHBondContact OE2-CD 3.43Å; E49-K82 WeakPolarHBondContact OE2-CE 3.44Å; E49-K82 IonicContact OE2-NZ 2.8Å; E49-K82 PolarHBondContact OE2-NZ 3.21Å; S78-K82 WeakPolarHBondContact CB-O 3.4Å; S78-K82 WeakPolarHBondContact O-CB 3.47Å; S78-K82 PolarHBondContact OG-O 3.1Å; R80-K82 PolarHBondContact O-N 2.86Å
83	M	96.4	Very high	94.6	Very high	58 Å²	58	52.6 Å²	52.6	29%	0.286	25%	0.249	S	C	.	.			trans	-117.4	158.7	175.8	-55.8	-176.1	77.4	0	0	109.2	R15 N47 K102 I104 K105	R15-M83 WeakPolarHBondContact O-CE 3.48Å; N47-M83 PolarHBondContact ND2-O 3.11Å; M83-K102 HydrophobicContact CB-CB 4.3Å; M83-K102 WeakPolarHBondContact CE-O 2.99Å; M83-K102 HydrophobicContact SD-CB 4.03Å; M83-I104 CarbonylContact C-O 3.55Å; M83-I104 WeakPolarHBondContact CA-O 3.34Å; M83-K105 HydrophobicContact CG-CB 4.2Å
84	F	96.4	Very high	94.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.5	167.6	-69.4	-49.9	0	0	0	110.8	A45 N50 A53 F74 G76 K77 L86 K102 A103 I104 I106	A45-F84 HydrophobicContact CB-CB 4.23Å; A45-F84 HydrophobicContact CB-CD2 4.26Å; A45-F84 HydrophobicContact CB-CG 4.16Å; N50-F84 HydrophobicContact CB-CE1 4.19Å; A53-F84 HydrophobicContact CB-CD1 4.38Å; A53-F84 HydrophobicContact CB-CE1 3.58Å; A53-F84 HydrophobicContact CB-CE2 3.94Å; A53-F84 HydrophobicContact CB-CZ 3.31Å; F74-F84 HydrophobicContact CD1-CD2 4.12Å; F74-F84 HydrophobicContact CD1-CE2 4.3Å; G76-F84 WeakPolarHBondContact O-CE2 3.32Å; K77-F84 WeakPolarHBondContact O-CZ 3.17Å; F84-L86 HydrophobicContact CB-CD2 4.49Å; F84-K102 CarbonylContact O-C 3.6Å; F84-A103 PolarHBondContact O-N 3.18Å; F84-I104 HydrophobicContact CB-CG2 4.37Å; F84-I104 HydrophobicContact CD2-CG2 4.41Å; F84-I104 PolarHBondContact N-O 2.83Å; F84-I106 HydrophobicContact CD2-CB 4.5Å; F84-I106 HydrophobicContact CD2-CG1 3.94Å; F84-I106 HydrophobicContact CE2-CB 3.98Å; F84-I106 HydrophobicContact CE2-CG1 3.8Å
85	T	95.4	Very high	94	Very high	31 Å²	31	58.2 Å²	58.2	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.5	151.6	-68.8	0	0	0	0	107.6	A45 G46 T99 Y100 D101	A45-T85 WeakPolarHBondContact CA-O 3.33Å; G46-T85 PolarHBondContact N-O 2.8Å; G46-T85 PolarHBondContact O-N 3.05Å; T85-T99 HydrophobicContact CG2-CG2 4.42Å; T85-Y100 WeakPolarHBondContact CA-O 3.14Å; T85-D101 WeakPolarHBondContact CB-OD1 2.96Å; T85-D101 WeakPolarHBondContact CG2-OD1 3.22Å; T85-D101 WeakPolarHBondContact OG1-CA 3.32Å; T85-D101 PolarHBondContact OG1-OD1 2.77Å
86	L	95.2	Very high	93.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.9	170.1	-54.3	-175.5	0	0	0	110.1	L13 F27 V43 K44 A45 F74 F84 T99 Y100 A103 I104	L13-L86 HydrophobicContact CD1-CD1 3.49Å; L13-L86 VanDerWaalsContact CD1-CD1 3.49Å; F27-L86 HydrophobicContact CZ-CD1 4.44Å; V43-L86 HydrophobicContact CG1-CB 4.47Å; V43-L86 HydrophobicContact CG1-CD1 4.47Å; V43-L86 HydrophobicContact CG1-CD2 4.42Å; K44-L86 WeakPolarHBondContact O-CA 3.37Å; A45-L86 HydrophobicContact CB-CD2 3.55Å; F74-L86 HydrophobicContact CE1-CD2 3.69Å; F74-L86 HydrophobicContact CZ-CD1 4.48Å; F74-L86 HydrophobicContact CZ-CD2 4.03Å; F84-L86 HydrophobicContact CB-CD2 4.49Å; L86-T99 CarbonylContact O-C 3.17Å; L86-T99 VanDerWaalsContact O-CA 3.28Å; L86-T99 WeakPolarHBondContact O-CA 3.46Å; L86-Y100 HydrophobicContact CD1-CD1 4.44Å; L86-Y100 PolarHBondContact N-O 3Å; L86-Y100 PolarHBondContact O-N 2.91Å; L86-A103 HydrophobicContact CD1-CB 3.95Å; L86-A103 HydrophobicContact CG-CB 3.78Å; L86-I104 HydrophobicContact CD2-CG2 4.48Å
87	T	94.9	Very high	93.7	Very high	17 Å²	17	61.9 Å²	61.9	10%	0.104	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.2	172.5	-48.2	0	0	0	0	107.3	V43 K44 I89 V97 F190	V43-T87 CarbonylContact C-O 3.17Å; K44-T87 PolarHBondContact N-O 2.86Å; K44-T87 PolarHBondContact O-N 2.9Å; T87-I89 HydrophobicContact CG2-CG1 4.27Å; T87-V97 HydrophobicContact CG2-CG1 4.17Å; T87-F190 HydrophobicContact CG2-CD1 4.28Å; T87-F190 HydrophobicContact CG2-CE1 3.3Å; T87-F190 HydrophobicContact CG2-CZ 3.63Å
88	I	95.1	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119	-178.6	-57.2	167.4	0	0	0	106.7	T3 C10 F27 V29 V41 V43 T98	T3-I88 HydrophobicContact CG2-CD1 4.12Å; C10-I88 HydrophobicContact CB-CD1 4.29Å; F27-I88 HydrophobicContact CZ-CD1 4.11Å; V29-I88 HydrophobicContact CG1-CG2 4.21Å; V29-I88 HydrophobicContact CG2-CD1 4.17Å; V29-I88 HydrophobicContact CG2-CG2 3.86Å; V41-I88 HydrophobicContact CG1-CG2 3.86Å; V43-I88 HydrophobicContact CG2-CG1 4.41Å; I88-T98 HydrophobicContact CB-CG2 3.81Å; I88-T98 HydrophobicContact CD1-CG2 4.28Å; I88-T98 HydrophobicContact CG2-CG2 4.35Å; I88-T98 PolarHBondContact N-O 3.03Å; I88-T98 PolarHBondContact O-N 3.27Å
89	I	95.2	Very high	93.4	Very high	25 Å²	25	58.1 Å²	58.1	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.2	-177.8	-54	172.1	0	0	0	107.9	V41 S42 T87 H91 V97 F190	V41-I89 CarbonylContact C-O 3.54Å; V41-I89 WeakPolarHBondContact CA-O 3.2Å; S42-I89 PolarHBondContact N-O 3.01Å; S42-I89 PolarHBondContact O-N 2.91Å; T87-I89 HydrophobicContact CG2-CG1 4.27Å; I89-H91 PolarHBondContact O-CD2 3.12Å; I89-V97 HydrophobicContact CG1-CG2 4.39Å; I89-V97 HydrophobicContact CG2-CG2 4.3Å; I89-F190 HydrophobicContact CD1-CD1 4.24Å; I89-F190 HydrophobicContact CD1-CE1 4.37Å; I89-F190 HydrophobicContact CG1-CE1 4.5Å
90	V	95.2	Very high	93.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.8	172.1	-178.6	0	0	0	0	107.7	L8 I35 T39 V41 T92 Q96	L8-V90 HydrophobicContact CD1-CG2 4.05Å; L8-V90 HydrophobicContact CD2-CG2 4.28Å; I35-V90 HydrophobicContact CD1-CG1 3.97Å; I35-V90 HydrophobicContact CG2-CG1 4.37Å; T39-V90 HydrophobicContact CG2-CG1 3.64Å; V41-V90 HydrophobicContact CG1-CG2 4.16Å; V41-V90 HydrophobicContact CG2-CG1 4.42Å; V41-V90 HydrophobicContact CG2-CG2 4.25Å; V90-T92 HydrophobicContact CG1-CG2 3.99Å; V90-T92 PolarHBondContact O-N 2.97Å; V90-Q96 HydrophobicContact CB-CB 4.16Å; V90-Q96 PolarHBondContact N-O 2.97Å; V90-Q96 PolarHBondContact O-N 2.94Å
91	H	94.4	Very high	93.5	Very high	87 Å²	87	52.4 Å²	52.4	40%	0.403	28%	0.28	S	S	.	.			trans	-84.8	56.1	-174.4	-63.5	-109.4	0	0	0	111	K40 S42 I89	K40-H91 HydrophobicContact CB-CB 4.19Å; K40-H91 WeakPolarHBondContact O-CB 3.43Å; K40-H91 PolarHBondContact O-CD2 2.97Å; K40-H91 VanDerWaalsContact O-CD2 3.25Å; K40-H91 PolarHBondContact O-N 3.46Å; S42-H91 PolarHBondContact OG-NE2 2.82Å; I89-H91 PolarHBondContact O-CD2 3.12Å
92	T	92.9	Very high	93.7	Very high	28 Å²	28	57 Å²	57	17%	0.172	28%	0.282	C	S	.	.			trans	-77.5	177	163.8	44.7	0	0	0	0	110.9	I35 T39 V90 P94 P95 Q96	I35-T92 HydrophobicContact CG1-CG2 4.24Å; I35-T92 HydrophobicContact CG2-CG2 4.07Å; T39-T92 HydrophobicContact CG2-CG2 4.15Å; V90-T92 HydrophobicContact CG1-CG2 3.99Å; V90-T92 PolarHBondContact O-N 2.97Å; T92-P94 VanDerWaalsContact C-C 3.44Å; T92-P94 CarbonylContact C-O 3.57Å; T92-P94 VanDerWaalsContact CB-O 3.32Å; T92-P94 WeakPolarHBondContact CB-O 3.46Å; T92-P94 CarbonylContact O-C 3.56Å; T92-P94 PolarHBondContact OG1-O 3.2Å; T92-P95 VanDerWaalsContact O-CA 3.29Å; T92-P95 WeakPolarHBondContact O-CA 3.37Å; T92-P95 VanDerWaalsContact O-N 3.09Å; T92-Q96 PolarHBondContact OG1-N 2.81Å; T92-Q96 PolarHBondContact OG1-NE2 2.84Å; T92-Q96 VanDerWaalsContact OG1-NE2 3.16Å
93	W	89.3	Confident	93.6	Very high	248 Å²	248	53.7 Å²	53.7	94%	0.939	27%	0.268	S	S	*	.	S	Bend	trans	-121.1	109.3	167.2	-169.3	-105.3	0	0	0	109
94	P	91	Very high	93.6	Very high	101 Å²	101	50.9 Å²	50.9	66%	0.656	26%	0.255	S	S	*	.	S	Bend	cis	-65.9	157.5	-4.1	30.2	-36.4	0	0	0	112.9	T92 Q96	T92-P94 VanDerWaalsContact C-C 3.44Å; T92-P94 CarbonylContact C-O 3.57Å; T92-P94 VanDerWaalsContact CB-O 3.32Å; T92-P94 WeakPolarHBondContact CB-O 3.46Å; T92-P94 CarbonylContact O-C 3.56Å; T92-P94 PolarHBondContact OG1-O 3.2Å; P94-Q96 PolarHBondContact O-N 2.95Å
95	P	91.4	Very high	93.6	Very high	75 Å²	75	53.9 Å²	53.9	49%	0.487	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-63.9	133.9	175.7	-22.3	34.1	0	0	0	111.6	T92	T92-P95 VanDerWaalsContact O-CA 3.29Å; T92-P95 WeakPolarHBondContact O-CA 3.37Å; T92-P95 VanDerWaalsContact O-N 3.09Å
96	Q	91.4	Very high	93.7	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.7	173.6	-75.9	170.2	88.6	0	0	109.9	V90 T92 P94	V90-Q96 HydrophobicContact CB-CB 4.16Å; V90-Q96 PolarHBondContact N-O 2.97Å; V90-Q96 PolarHBondContact O-N 2.94Å; T92-Q96 PolarHBondContact OG1-N 2.81Å; T92-Q96 PolarHBondContact OG1-NE2 2.84Å; T92-Q96 VanDerWaalsContact OG1-NE2 3.16Å; P94-Q96 PolarHBondContact O-N 2.95Å
97	V	92	Very high	93.8	Very high	56 Å²	56	54.2 Å²	54.2	34%	0.339	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.4	-174.3	172.3	0	0	0	0	108.4	S5 T87 I89 F190	S5-V97 PolarHBondContact OG-O 2.85Å; T87-V97 HydrophobicContact CG2-CG1 4.17Å; I89-V97 HydrophobicContact CG1-CG2 4.39Å; I89-V97 HydrophobicContact CG2-CG2 4.3Å; V97-F190 HydrophobicContact CB-CE1 4.47Å; V97-F190 HydrophobicContact CG1-CE1 3.38Å; V97-F190 HydrophobicContact CG1-CZ 3.37Å; V97-F190 HydrophobicContact CG2-CE1 4.25Å
98	T	92.4	Very high	93.7	Very high	5 Å²	5	57 Å²	57	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.3	175	-161.1	0	0	0	0	112.6	T3 G4 S5 L8 I88	T3-T98 VanDerWaalsContact CB-OG1 3.29Å; T3-T98 WeakPolarHBondContact CB-OG1 3.16Å; T3-T98 HydrophobicContact CG2-CG2 3.97Å; T3-T98 WeakPolarHBondContact OG1-CG2 3.47Å; T3-T98 PolarHBondContact OG1-OG1 2.9Å; G4-T98 PolarHBondContact N-OG1 3.09Å; G4-T98 VanDerWaalsContact N-OG1 3.16Å; S5-T98 WeakPolarHBondContact CB-OG1 3.06Å; S5-T98 PolarHBondContact N-OG1 2.95Å; S5-T98 WeakPolarHBondContact OG-CB 3.42Å; S5-T98 PolarHBondContact OG-OG1 3.14Å; L8-T98 HydrophobicContact CB-CG2 4.13Å; L8-T98 HydrophobicContact CD1-CG2 3.74Å; I88-T98 HydrophobicContact CB-CG2 3.81Å; I88-T98 HydrophobicContact CD1-CG2 4.28Å; I88-T98 HydrophobicContact CG2-CG2 4.35Å; I88-T98 PolarHBondContact N-O 3.03Å; I88-T98 PolarHBondContact O-N 3.27Å
99	T	93.4	Very high	93.5	Very high	34 Å²	34	59.6 Å²	59.6	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.1	178.3	53.3	0	0	0	0	111.7	G4 T85 L86	G4-T99 PolarHBondContact N-O 2.8Å; T85-T99 HydrophobicContact CG2-CG2 4.42Å; L86-T99 CarbonylContact O-C 3.17Å; L86-T99 VanDerWaalsContact O-CA 3.28Å; L86-T99 WeakPolarHBondContact O-CA 3.46Å
100	Y	93.4	Very high	93.3	Very high	35 Å²	35	58.6 Å²	58.6	14%	0.137	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	97.2	161.7	177.7	-165.5	0	0	0	107.8	M1 C10 T85 L86 A103	M1-Y100 HydrophobicContact CE-CE2 4.37Å; M1-Y100 HydrophobicContact CG-CE1 4.16Å; M1-Y100 HydrophobicContact CG-CE2 4.41Å; C10-Y100 VanDerWaalsContact SG-CD1 3.6Å; T85-Y100 WeakPolarHBondContact CA-O 3.14Å; L86-Y100 HydrophobicContact CD1-CD1 4.44Å; L86-Y100 PolarHBondContact N-O 3Å; L86-Y100 PolarHBondContact O-N 2.91Å; Y100-A103 HydrophobicContact CD1-CB 3.53Å; Y100-A103 HydrophobicContact CD2-CB 4.03Å; Y100-A103 HydrophobicContact CE1-CB 3.59Å; Y100-A103 HydrophobicContact CE2-CB 4.07Å; Y100-A103 HydrophobicContact CG-CB 3.75Å
101	D	92.8	Very high	93.2	Very high	99 Å²	99	62.5 Å²	62.5	53%	0.529	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.3	-177.4	-77.5	-61.9	0	0	0	113.1	T85 A103	T85-D101 WeakPolarHBondContact CB-OD1 2.96Å; T85-D101 WeakPolarHBondContact CG2-OD1 3.22Å; T85-D101 WeakPolarHBondContact OG1-CA 3.32Å; T85-D101 PolarHBondContact OG1-OD1 2.77Å; D101-A103 PolarHBondContact O-N 2.85Å; D101-A103 VanDerWaalsContact O-N 3.12Å
102	K	93.4	Very high	92.9	Very high	158 Å²	158	65.2 Å²	65.2	69%	0.687	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.5	34.8	177.7	-58.2	173	-176.8	170.6	0	113	M83 F84 I104	M83-K102 HydrophobicContact CB-CB 4.3Å; M83-K102 WeakPolarHBondContact CE-O 2.99Å; M83-K102 HydrophobicContact SD-CB 4.03Å; F84-K102 CarbonylContact O-C 3.6Å; K102-I104 PolarHBondContact O-N 2.83Å
103	A	94.5	Very high	92.5	Very high	2 Å²	2	66.9 Å²	66.9	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-41.9	-173.8	0	0	0	0	0	113.5	L13 F84 L86 Y100 D101	L13-A103 HydrophobicContact CD1-CB 4.42Å; F84-A103 PolarHBondContact O-N 3.18Å; L86-A103 HydrophobicContact CD1-CB 3.95Å; L86-A103 HydrophobicContact CG-CB 3.78Å; Y100-A103 HydrophobicContact CD1-CB 3.53Å; Y100-A103 HydrophobicContact CD2-CB 4.03Å; Y100-A103 HydrophobicContact CE1-CB 3.59Å; Y100-A103 HydrophobicContact CE2-CB 4.07Å; Y100-A103 HydrophobicContact CG-CB 3.75Å; D101-A103 PolarHBondContact O-N 2.85Å; D101-A103 VanDerWaalsContact O-N 3.12Å
104	I	96.1	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	136.5	-170.1	-173.9	156.6	0	0	0	113.8	L13 P14 W17 L23 F74 M83 F84 L86 K102 I106	L13-I104 HydrophobicContact CB-CD1 4.34Å; L13-I104 HydrophobicContact CD1-CG2 4.45Å; P14-I104 WeakPolarHBondContact O-CD1 3.27Å; P14-I104 VanDerWaalsContact O-CG1 3.31Å; P14-I104 WeakPolarHBondContact O-CG1 3.48Å; W17-I104 HydrophobicContact CB-CD1 3.87Å; W17-I104 HydrophobicContact CB-CG1 4.49Å; L23-I104 HydrophobicContact CD2-CD1 4.28Å; F74-I104 HydrophobicContact CD1-CG2 4.41Å; F74-I104 HydrophobicContact CD2-CD1 4.25Å; F74-I104 HydrophobicContact CE1-CG2 3.88Å; F74-I104 HydrophobicContact CE2-CD1 4.02Å; F74-I104 HydrophobicContact CE2-CG2 4.35Å; F74-I104 HydrophobicContact CZ-CG2 3.85Å; M83-I104 CarbonylContact C-O 3.55Å; M83-I104 WeakPolarHBondContact CA-O 3.34Å; F84-I104 HydrophobicContact CB-CG2 4.37Å; F84-I104 HydrophobicContact CD2-CG2 4.41Å; F84-I104 PolarHBondContact N-O 2.83Å; L86-I104 HydrophobicContact CD2-CG2 4.48Å; K102-I104 PolarHBondContact O-N 2.83Å; I104-I106 HydrophobicContact CD1-CD1 3.59Å; I104-I106 HydrophobicContact CG1-CD1 3.58Å; I104-I106 HydrophobicContact CG1-CG1 4.12Å; I104-I106 HydrophobicContact CG2-CG1 4.47Å
105	K	97	Very high	91.8	Very high	62 Å²	62	64.8 Å²	64.8	27%	0.27	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.9	166.1	-179.5	173.1	63.8	-171.7	0	110.3	R15 H16 W17 S78 M83 T107	R15-K105 VanDerWaalsContact O-CB 3.31Å; R15-K105 WeakPolarHBondContact O-CB 3.33Å; R15-K105 PolarHBondContact O-N 3.43Å; H16-K105 CarbonylContact C-O 3.12Å; H16-K105 WeakPolarHBondContact CA-O 3.05Å; H16-K105 HydrophobicContact CB-CB 4.41Å; H16-K105 PolarHBondContact CD2-O 2.95Å; H16-K105 WeakPolarHBondContact ND1-CE 3.45Å; W17-K105 PolarHBondContact N-O 3.43Å; S78-K105 WeakPolarHBondContact OG-CA 3.32Å; M83-K105 HydrophobicContact CG-CB 4.2Å; K105-T107 HydrophobicContact CG-CG2 4.26Å
106	I	97.3	Very high	91.3	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.2	179.5	-58.9	-65.3	0	0	0	110.7	W17 F74 G76 K77 S78 F84 I104	W17-I106 HydrophobicContact CB-CD1 3.92Å; F74-I106 HydrophobicContact CB-CB 4.45Å; F74-I106 HydrophobicContact CB-CD1 3.6Å; F74-I106 HydrophobicContact CB-CG1 3.62Å; F74-I106 HydrophobicContact CB-CG2 4.09Å; F74-I106 HydrophobicContact CD1-CD1 4.41Å; F74-I106 HydrophobicContact CD1-CG1 4.13Å; F74-I106 HydrophobicContact CD2-CD1 3.86Å; F74-I106 HydrophobicContact CD2-CG1 4.45Å; F74-I106 HydrophobicContact CG-CD1 3.7Å; F74-I106 HydrophobicContact CG-CG1 3.82Å; G76-I106 WeakPolarHBondContact O-CG2 3.35Å; K77-I106 WeakPolarHBondContact CA-O 3.36Å; S78-I106 PolarHBondContact N-O 3.18Å; S78-I106 VanDerWaalsContact N-O 3.09Å; S78-I106 PolarHBondContact OG-N 3.23Å; F84-I106 HydrophobicContact CD2-CB 4.5Å; F84-I106 HydrophobicContact CD2-CG1 3.94Å; F84-I106 HydrophobicContact CE2-CB 3.98Å; F84-I106 HydrophobicContact CE2-CG1 3.8Å; I104-I106 HydrophobicContact CD1-CD1 3.59Å; I104-I106 HydrophobicContact CG1-CD1 3.58Å; I104-I106 HydrophobicContact CG1-CG1 4.12Å; I104-I106 HydrophobicContact CG2-CG1 4.47Å
107	T	96	Very high	90.2	Very high	39 Å²	39	72.3 Å²	72.3	24%	0.239	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	167.3	175	76.7	0	0	0	0	111.9	H16 W17 R18 S19 K105 D109 G110	H16-T107 WeakPolarHBondContact NE2-CG2 3.41Å; H16-T107 PolarHBondContact NE2-OG1 2.89Å; W17-T107 PolarHBondContact O-N 3.47Å; R18-T107 WeakPolarHBondContact CA-O 3.47Å; S19-T107 PolarHBondContact N-O 2.98Å; K105-T107 HydrophobicContact CG-CG2 4.26Å; T107-D109 PolarHBondContact O-N 3.42Å; T107-G110 PolarHBondContact OG1-N 3.46Å; T107-G110 VanDerWaalsContact OG1-N 3.08Å
108	V	94.4	Very high	88.9	Confident	74 Å²	74	78.8 Å²	78.8	45%	0.448	41%	0.407	S	S	.	.	S	Bend	trans	-58.4	-37.4	177.7	177.5	0	0	0	0	112	R18 K77	R18-V108 WeakPolarHBondContact CG-O 3.32Å; R18-V108 PolarHBondContact NE-O 3.06Å; R18-V108 PolarHBondContact NH1-O 2.78Å; R18-V108 PolarHBondContact NH2-O 3.37Å; K77-V108 HydrophobicContact CD-CG2 4.02Å; K77-V108 VanDerWaalsContact CE-CG2 3.44Å
109	D	91.2	Very high	87.3	Confident	56 Å²	56	87.3 Å²	87.3	30%	0.299	45%	0.447	S	S	.	.	S	Bend	trans	-89.4	-37.1	-178.1	-93.4	-15.8	0	0	0	113.4	R18 T107 R112	R18-D109 WeakPolarHBondContact CD-O 3.31Å; R18-D109 WeakPolarHBondContact CG-O 3.32Å; R18-D109 PolarHBondContact NH1-O 2.76Å; R18-D109 VanDerWaalsContact NH1-O 3.09Å; R18-D109 IonicContact NH1-OD1 3.34Å; R18-D109 PolarHBondContact NH1-OD1 3.34Å; T107-D109 PolarHBondContact O-N 3.42Å; D109-R112 IonicContact OD1-NH1 3.54Å; D109-R112 VanDerWaalsContact OD2-CD 3.23Å; D109-R112 WeakPolarHBondContact OD2-CD 3.47Å; D109-R112 IonicContact OD2-CZ 3.66Å; D109-R112 IonicContact OD2-NE 3.84Å; D109-R112 IonicContact OD2-NH1 2.71Å; D109-R112 PolarHBondContact OD2-NH1 2.67Å
110	G	91	Very high	85.2	Confident	4 Å²	4	90.5 Å²	90.5	4%	0.041	47%	0.471	C	S	.	.			trans	74.7	-161.1	-161.8	0	0	0	0	0	112.3	H16 W17 T107 R112	H16-G110 PolarHBondContact CE1-O 2.94Å; H16-G110 VanDerWaalsContact NE2-C 3.32Å; H16-G110 PolarHBondContact NE2-O 3.03Å; W17-G110 WeakPolarHBondContact O-CA 3.31Å; T107-G110 PolarHBondContact OG1-N 3.46Å; T107-G110 VanDerWaalsContact OG1-N 3.08Å; G110-R112 PolarHBondContact O-N 2.6Å
111	P	91.2	Very high	82.8	Confident	82 Å²	82	94.1 Å²	94.1	53%	0.532	50%	0.501	S	S	.	.	S	Bend	trans	-56.7	129.3	166.7	-23	34.1	0	0	0	110.1	H16	H16-P111 HydrophobicContact CB-CG 4.25Å; H16-P111 WeakPolarHBondContact O-CD 3.4Å; H16-P111 WeakPolarHBondContact O-CG 3.23Å
112	R	89	Confident	80.7	Confident	143 Å²	143	93.4 Å²	93.4	54%	0.54	51%	0.509	S	S	.	.			trans	-141.7	130.7	-178.3	-173	175.5	-179.6	159.3	9	108.3	D109 G110	D109-R112 IonicContact OD1-NH1 3.54Å; D109-R112 VanDerWaalsContact OD2-CD 3.23Å; D109-R112 WeakPolarHBondContact OD2-CD 3.47Å; D109-R112 IonicContact OD2-CZ 3.66Å; D109-R112 IonicContact OD2-NE 3.84Å; D109-R112 IonicContact OD2-NH1 2.71Å; D109-R112 PolarHBondContact OD2-NH1 2.67Å; G110-R112 PolarHBondContact O-N 2.6Å
113	G	84.7	Confident	78.3	Confident	64 Å²	64	90.4 Å²	90.4	66%	0.66	51%	0.508	S	S	*	.			trans	-60.8	163.5	172.3	0	0	0	0	0	111.8	R115	G113-R115 PolarHBondContact O-N 3.2Å
114	S	83.9	Confident	76.2	Confident	117 Å²	117	95.5 Å²	95.5	82%	0.818	54%	0.543	S	S	*	.			trans	-54	136.7	170.6	47.8	0	0	0	0	109.8	K116	S114-K116 PolarHBondContact O-N 3.21Å; S114-K116 VanDerWaalsContact O-N 3.11Å
115	R	82.1	Confident	73.9	Confident	187 Å²	187	102 Å²	102	71%	0.706	58%	0.583	S	S	*	*			trans	-71.8	106.9	168.5	-63.2	-178.7	-172.7	179.4	1.6	105.9	G113	G113-R115 PolarHBondContact O-N 3.2Å
116	K	79.5	Confident	71.6	Confident	186 Å²	186	103.6 Å²	103.6	81%	0.809	61%	0.608	S	S	*	*			trans	-50.4	133.8	162.7	-71.6	-167.6	175.2	-168.6	0	107.5	S114 K118	S114-K116 PolarHBondContact O-N 3.21Å; S114-K116 VanDerWaalsContact O-N 3.11Å; K116-K118 PolarHBondContact O-N 3.39Å
117	P	68.4	Low	69.2	Low	115 Å²	115	107.9 Å²	107.9	75%	0.747	64%	0.643	S	S	*	*			trans	-51.2	136.4	164.7	-23.7	34.4	0	0	0	108.5	E119	P117-E119 PolarHBondContact O-N 3.07Å; P117-E119 VanDerWaalsContact O-N 3.1Å
118	K	65.4	Low	67	Low	192 Å²	192	112 Å²	112	84%	0.835	67%	0.67	S	S	*	*			trans	-75.4	101	167.9	-175.9	-175.9	179	-172.3	0	105.9	K116 S120	K116-K118 PolarHBondContact O-N 3.39Å; K118-S120 PolarHBondContact O-N 2.92Å
119	E	59.7	Low	64.7	Low	185 Å²	185	115.1 Å²	115.1	86%	0.864	69%	0.689	S	S	*	*			trans	-53.3	110.3	163.6	-75.8	164.7	-169.4	0	0	107.3	P117 S121	P117-E119 PolarHBondContact O-N 3.07Å; P117-E119 VanDerWaalsContact O-N 3.1Å; E119-S121 PolarHBondContact O-N 2.87Å
120	S	48.5	Very low	62.8	Low	101 Å²	101	119.4 Å²	119.4	71%	0.706	72%	0.717	S	S	*	*			trans	-76.5	116.2	178.6	48	0	0	0	0	108	K118 A122	K118-S120 PolarHBondContact O-N 2.92Å; S120-A122 PolarHBondContact O-N 3.03Å
121	S	43.6	Very low	60.9	Low	111 Å²	111	123.5 Å²	123.5	78%	0.776	75%	0.75	S	S	*	*			trans	-55.1	102.8	171.1	51.3	0	0	0	0	110.9	E119 S123	E119-S121 PolarHBondContact O-N 2.87Å; S121-S123 PolarHBondContact O-OG 3.43Å
122	A	48.4	Very low	58.8	Low	84 Å²	84	125.8 Å²	125.8	69%	0.694	77%	0.765	S	S	*	*			trans	-128.4	102.5	159	0	0	0	0	0	104.1	S120	S120-A122 PolarHBondContact O-N 3.03Å
123	S	43.8	Very low	57.1	Low	94 Å²	94	124.1 Å²	124.1	66%	0.657	78%	0.776	S	S	*	*			cis	54.7	100.2	32	84.3	0	0	0	0	112.4	S121	S121-S123 PolarHBondContact O-OG 3.43Å
124	S	48.4	Very low	55.5	Low	109 Å²	109	125.8 Å²	125.8	76%	0.762	78%	0.777	S	S	*	*			trans	60.2	144.2	179.9	50.1	0	0	0	0	116.4
125	V	49.7	Very low	54	Low	137 Å²	137	126.3 Å²	126.3	83%	0.83	78%	0.78	S	S	*	*			cis	-149.5	161.2	1.4	-120.1	0	0	0	0	111.4
126	A	47.8	Very low	52.1	Low	96 Å²	96	120.5 Å²	120.5	79%	0.793	78%	0.779	S	S	*	*			trans	62.4	129.3	152.8	0	0	0	0	0	120.6
127	A	47.1	Very low	50.7	Low	89 Å²	89	119.2 Å²	119.2	74%	0.736	78%	0.781	S	S	*	*			trans	-82.5	174.1	155.8	0	0	0	0	0	110.4
128	P	49.7	Very low	49.3	Very low	125 Å²	125	120.8 Å²	120.8	81%	0.812	79%	0.789	S	S	*	*				-133.7	154.1	112.9	37.6	-30.6	0	0	0	115.1
129	V	45.2	Very low	48	Very low	141 Å²	141	117.2 Å²	117.2	86%	0.855	78%	0.783	S	S	*	*			trans	-71.9	134.5	171	-80.8	0	0	0	0	112.5
130	V	51.5	Low	46.8	Very low	146 Å²	146	115 Å²	115	89%	0.885	78%	0.776	S	S	*	*			trans	-143.4	141.6	150.6	-175.3	0	0	0	0	108
131	A	51.9	Low	46	Very low	89 Å²	89	118.8 Å²	118.8	74%	0.736	79%	0.787	S	S	*	*			trans	-99	167.9	-176.2	0	0	0	0	0	112.1
132	P	47.6	Very low	45.7	Very low	131 Å²	131	120.7 Å²	120.7	85%	0.851	79%	0.787	S	S	*	*			trans	-90.8	160.8	-161.1	36	-36.4	0	0	0	115.1
133	S	52.2	Low	45.3	Very low	108 Å²	108	125 Å²	125	76%	0.755	79%	0.792	S	S	*	*			trans	-145.8	141.8	164.2	53.3	0	0	0	0	113.3
134	S	51.2	Low	44.8	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	80%	0.803	S	S	*	*			trans	40.6	110.1	156	58.4	0	0	0	0	121.2
135	S	52.5	Low	44.7	Very low	128 Å²	128	125.8 Å²	125.8	90%	0.895	80%	0.797	S	S	*	*				61.7	117.1	120.5	-50	0	0	0	0	121.3
136	G	42.5	Very low	44.3	Very low	65 Å²	65	130 Å²	130	67%	0.67	80%	0.798	S	S	*	*			trans	132.5	121.5	138.6	0	0	0	0	0	117.8
137	N	50.2	Low	44.1	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	80%	0.804	S	S	*	*			trans	66.9	99.2	145.1	-54.1	-11.2	0	0	0	119	T139	N137-T139 PolarHBondContact O-N 2.9Å
138	T	37.8	Very low	43.5	Very low	149 Å²	149	138.9 Å²	138.9	91%	0.914	81%	0.808	S	S	*	*			trans	-68.8	107.7	171.6	-54.1	0	0	0	0	113
139	T	38.2	Very low	43	Very low	116 Å²	116	138.1 Å²	138.1	71%	0.712	81%	0.805	S	S	*	*			trans	-138.3	106.1	168	-57.2	0	0	0	0	112.5	N137	N137-T139 PolarHBondContact O-N 2.9Å
140	I	35.8	Very low	42.7	Very low	139 Å²	139	138.4 Å²	138.4	71%	0.713	80%	0.8	S	S	*	*			trans	44.4	99.8	148.7	-47.2	171.5	0	0	0	117.6	I142	I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.16Å
141	L	31.7	Very low	42.4	Very low	181 Å²	181	142.5 Å²	142.5	95%	0.948	80%	0.8	S	S	*	*			trans	-89.9	98.3	160.4	-87.2	170.2	0	0	0	111.6
142	I	35.8	Very low	42.3	Very low	150 Å²	150	143.5 Å²	143.5	77%	0.769	80%	0.799	S	S	*	*			trans	-134.4	100.8	158.1	-56.3	178.8	0	0	0	108.9	I140	I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.16Å
143	Q	39.8	Very low	42.3	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	80%	0.796	S	S	*	*			trans	-149.9	119.5	159.2	-129	179.4	6.6	0	0	111.6
144	C	34.4	Very low	42	Very low	130 Å²	130	142.3 Å²	142.3	88%	0.878	79%	0.791	S	S	*	*			trans	-116.2	87	171.3	-172.1	0	0	0	0	108.5
145	S	46.1	Very low	42.1	Very low	91 Å²	91	144.3 Å²	144.3	64%	0.636	79%	0.792	S	S	*	*			trans	-108.7	113.1	-176.3	-62.9	0	0	0	0	110.3
146	R	40.7	Very low	42	Very low	226 Å²	226	146.6 Å²	146.6	85%	0.853	79%	0.789	S	S	*	*			trans	-73.5	144.2	173	-56.5	169.8	-177.4	155.7	-0.2	109.8
147	M	43.5	Very low	41.9	Very low	188 Å²	188	146.5 Å²	146.5	93%	0.926	79%	0.788	S	S	*	*			trans	-143.6	154.2	153	-98.8	-56.3	-179.7	0	0	111.9
148	F	36.1	Very low	41.9	Very low	183 Å²	183	147.4 Å²	147.4	80%	0.803	79%	0.789	S	S	*	*			trans	-116.6	142.7	-179	-93.3	-103.9	0	0	0	110.9
149	S	37.9	Very low	42.2	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	78%	0.775	S	S	*	*			trans	-162.4	137	156.2	-78.1	0	0	0	0	107.1
150	I	39.4	Very low	42.5	Very low	146 Å²	146	151.1 Å²	151.1	75%	0.749	78%	0.779	S	S	*	*			cis	71.6	119.4	38.6	-52.7	170.1	0	0	0	111.2
151	R	44.4	Very low	43	Very low	233 Å²	233	150 Å²	150	88%	0.879	78%	0.783	S	S	*	*			cis	-157.9	171.3	-17.4	-116.1	-166.3	-177.4	-138.8	3.4	108.4
152	P	51.3	Low	43.7	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	77%	0.773	S	S	*	*			trans	-93.3	175.9	-173.7	40.6	-38.4	0	0	0	114
153	P	46.4	Very low	44.5	Very low	122 Å²	122	149.7 Å²	149.7	79%	0.792	78%	0.78	S	S	*	*				-137.6	-156.6	97.5	43.2	-29.9	0	0	0	111
154	S	46	Very low	44.7	Very low	92 Å²	92	147 Å²	147	64%	0.643	78%	0.781	S	S	*	*			cis	-165.4	170.1	-3.3	-141.8	0	0	0	0	111.2
155	I	53.9	Low	45.7	Very low	140 Å²	140	152.4 Å²	152.4	72%	0.718	78%	0.782	S	S	*	*			trans	66	142.9	147.1	-71.2	160.7	0	0	0	117.6
156	E	49.8	Very low	45.7	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.822	79%	0.79	S	S	*	*			cis	-149.2	161	8.1	-150	141.5	-129.9	0	0	113.6
157	G	41.1	Very low	45.9	Very low	63 Å²	63	154.8 Å²	154.8	65%	0.649	79%	0.794	S	S	*	*			trans	67.7	155.9	165.4	0	0	0	0	0	118.1
158	M	48.9	Very low	45.9	Very low	177 Å²	177	153.8 Å²	153.8	87%	0.872	79%	0.789	S	S	*	*			cis	-170	153.3	-13.4	-108.1	128.9	169.5	0	0	107.8
159	E	44	Very low	46.3	Very low	132 Å²	132	154.6 Å²	154.6	62%	0.617	79%	0.792	S	S	*	*			cis	-159.2	-70.2	-18.1	166.1	157.2	28.5	0	0	113.9
160	R	45.1	Very low	46.6	Very low	212 Å²	212	160.3 Å²	160.3	80%	0.8	80%	0.797	S	S	*	*			trans	-126.8	161.3	-171.3	-72.9	158.5	-147.7	-143	9.7	110.9
161	S	47.4	Very low	46.6	Very low	114 Å²	114	164.8 Å²	164.8	80%	0.797	80%	0.804	S	S	*	*			cis	-155.6	160.2	25.5	-155	0	0	0	0	111.7
162	P	45.2	Very low	46.6	Very low	113 Å²	113	164.4 Å²	164.4	73%	0.734	80%	0.803	S	S	*	*			trans	-100.6	154	-163.8	37.7	-34.3	0	0	0	116
163	K	53.3	Low	46	Very low	213 Å²	213	164.6 Å²	164.6	93%	0.926	80%	0.804	S	S	*	*			trans	-137.9	116.5	155.8	-71.1	-169.1	178.3	177.9	0	111.2
164	S	44.8	Very low	45.7	Very low	118 Å²	118	163.5 Å²	163.5	83%	0.825	81%	0.805	S	S	*	*			trans	-82.7	147	180	49.9	0	0	0	0	112.3
165	R	53.9	Low	45.4	Very low	242 Å²	242	164.8 Å²	164.8	91%	0.913	81%	0.809	S	S	*	*			trans	-141.2	140.9	158.6	-77.4	-162.7	170.8	-150.6	-4.1	110.2
166	P	46	Very low	44.5	Very low	123 Å²	123	160.6 Å²	160.6	80%	0.799	79%	0.792	S	S	*	*			trans	-74.3	142.3	-170.8	28.6	-34.8	0	0	0	112.8	M168	P166-M168 VanDerWaalsContact C-N 3.29Å; P166-M168 PolarHBondContact O-N 3.25Å
167	R	46.4	Very low	44.2	Very low	245 Å²	245	157.9 Å²	157.9	93%	0.925	79%	0.791	S	S	*	*			trans	-76.5	76.2	178.4	-169.9	178.9	-176.7	-179.3	1.5	110.9	K169	R167-K169 PolarHBondContact O-N 2.9Å
168	M	43.4	Very low	44.4	Very low	167 Å²	167	159.5 Å²	159.5	82%	0.823	79%	0.792	S	S	*	*			trans	-57.1	105.4	-178.3	-166	-178.3	-170.3	0	0	111.2	P166 R170	P166-M168 VanDerWaalsContact C-N 3.29Å; P166-M168 PolarHBondContact O-N 3.25Å; M168-R170 PolarHBondContact O-N 3.13Å
169	K	44.6	Very low	44.2	Very low	200 Å²	200	155.8 Å²	155.8	87%	0.87	78%	0.776	S	S	*	*			trans	-68.5	89.1	176.1	-69.5	-179.9	-178.7	175.2	0	109.3	R167 R171	R167-K169 PolarHBondContact O-N 2.9Å; K169-R171 VanDerWaalsContact C-N 3.27Å; K169-R171 PolarHBondContact O-N 3.3Å
170	R	42.8	Very low	44.2	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	76%	0.759	S	S	*	*			trans	-62.5	89.5	166.5	-85.9	-174.4	166.1	177.8	-5.1	109.3	M168 R172	M168-R170 PolarHBondContact O-N 3.13Å; R170-R172 PolarHBondContact O-N 2.9Å
171	R	40.7	Very low	44.2	Very low	240 Å²	240	144 Å²	144	91%	0.906	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-51	120.7	156.7	-84.1	-177.5	163.1	-178.1	-5.6	106.4	K169	K169-R171 VanDerWaalsContact C-N 3.27Å; K169-R171 PolarHBondContact O-N 3.3Å
172	R	43.8	Very low	44.1	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-65.6	141.2	162.1	-68.9	179.3	170.9	-163.8	-8.2	106.9	R170 A174	R170-R172 PolarHBondContact O-N 2.9Å; R172-A174 PolarHBondContact O-N 3.24Å
173	P	38.2	Very low	44.2	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-58.6	129.1	163.7	27	-32.5	0	0	0	107.4	V175	P173-V175 PolarHBondContact O-N 3.34Å; P173-V175 VanDerWaalsContact O-N 3.16Å
174	A	40.3	Very low	43.5	Very low	98 Å²	98	137.5 Å²	137.5	81%	0.81	70%	0.697	S	S	*	*			trans	-72.4	103.9	163.6	0	0	0	0	0	106	R172 S176	R172-A174 PolarHBondContact O-N 3.24Å; A174-S176 PolarHBondContact O-N 3.08Å
175	V	39.6	Very low	43.6	Very low	119 Å²	119	135 Å²	135	72%	0.721	68%	0.677	S	S	*	*			trans	-64	116.6	167.4	-179.4	0	0	0	0	105.7	P173	P173-V175 PolarHBondContact O-N 3.34Å; P173-V175 VanDerWaalsContact O-N 3.16Å
176	S	36	Very low	43.5	Very low	53 Å²	53	130.8 Å²	130.8	37%	0.371	67%	0.672	S	S	.	*			trans	-66.5	137.5	178	104.2	0	0	0	0	108.5	A174 S178 D179	A174-S176 PolarHBondContact O-N 3.08Å; S176-S178 PolarHBondContact O-N 3.29Å; S176-S178 VanDerWaalsContact OG-CB 3.31Å; S176-S178 WeakPolarHBondContact OG-CB 3.48Å; S176-S178 PolarHBondContact OG-N 3.44Å; S176-S178 PolarHBondContact OG-OG 2.94Å; S176-D179 PolarHBondContact OG-OD2 3.46Å
177	C	42.9	Very low	43.2	Very low	119 Å²	119	134.9 Å²	134.9	80%	0.804	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-71.9	-4.3	178.3	-66.8	0	0	0	0	113.3	D179	C177-D179 VanDerWaalsContact C-N 3.28Å; C177-D179 PolarHBondContact O-N 2.87Å
178	S	46.2	Very low	42.6	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-59.6	-36.7	-177.6	-30.7	0	0	0	0	112.7	S176 V180	S176-S178 PolarHBondContact O-N 3.29Å; S176-S178 VanDerWaalsContact OG-CB 3.31Å; S176-S178 WeakPolarHBondContact OG-CB 3.48Å; S176-S178 PolarHBondContact OG-N 3.44Å; S176-S178 PolarHBondContact OG-OG 2.94Å; S178-V180 PolarHBondContact O-N 2.95Å
179	D	43.4	Very low	42.5	Very low	100 Å²	100	119.2 Å²	119.2	54%	0.535	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-96.3	14.6	-164.9	-44.2	-62.6	0	0	0	113	S176 C177 S194	S176-D179 PolarHBondContact OG-OD2 3.46Å; C177-D179 VanDerWaalsContact C-N 3.28Å; C177-D179 PolarHBondContact O-N 2.87Å; D179-S194 WeakPolarHBondContact O-CB 3.4Å; D179-S194 PolarHBondContact O-N 3.34Å; D179-S194 PolarHBondContact O-OG 3.31Å
180	V	45.3	Very low	42.8	Very low	42 Å²	42	110.5 Å²	110.5	26%	0.255	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.6	93.8	-172.6	-160.6	0	0	0	0	111.6	S178 V182 F191 L192	S178-V180 PolarHBondContact O-N 2.95Å; V180-V182 PolarHBondContact O-N 3.36Å; V180-F191 HydrophobicContact CB-CD1 4.49Å; V180-F191 HydrophobicContact CG1-CB 3.69Å; V180-F191 HydrophobicContact CG1-CD1 3.72Å; V180-F191 HydrophobicContact CG1-CG 4.21Å; V180-L192 CarbonylContact C-O 3.56Å; V180-L192 WeakPolarHBondContact CG1-O 3.23Å
181	S	44.7	Very low	43.1	Very low	55 Å²	55	103.9 Å²	103.9	39%	0.385	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-55.9	128.1	168.7	60.6	0	0	0	0	111.8	L192 S194	S181-L192 PolarHBondContact N-O 3.12Å; S181-L192 PolarHBondContact O-N 2.71Å; S181-L192 VanDerWaalsContact O-O 3.11Å; S181-L192 WeakPolarHBondContact OG-CB 3.11Å; S181-L192 PolarHBondContact OG-O 2.94Å; S181-S194 PolarHBondContact N-OG 3.49Å
182	V	45.4	Very low	43.4	Very low	81 Å²	81	96.2 Å²	96.2	49%	0.491	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	98.9	176.7	-175.8	0	0	0	0	109	V180 C189 F190 F191	V180-V182 PolarHBondContact O-N 3.36Å; V182-C189 HydrophobicContact CG1-CB 4.01Å; V182-F190 WeakPolarHBondContact CA-O 3.5Å; V182-F191 HydrophobicContact CG2-CD1 3.82Å; V182-F191 HydrophobicContact CG2-CE1 3.63Å; V182-F191 HydrophobicContact CG2-CZ 4.43Å
183	L	45.8	Very low	43.4	Very low	94 Å²	94	90.6 Å²	90.6	49%	0.492	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136	164.5	-177.4	79.2	0	0	0	107.7	V185 F190 L192	L183-V185 HydrophobicContact CD2-CG2 4.04Å; L183-V185 HydrophobicContact CG-CG2 4.3Å; L183-F190 HydrophobicContact CB-CB 4.17Å; L183-F190 PolarHBondContact N-O 3.1Å; L183-F190 VanDerWaalsContact N-O 3.1Å; L183-F190 WeakPolarHBondContact O-CB 3.4Å; L183-F190 WeakPolarHBondContact O-CD2 3.2Å; L183-F190 PolarHBondContact O-N 3.34Å; L183-L192 HydrophobicContact CB-CD1 4.22Å
184	Q	38.8	Very low	43.9	Very low	128 Å²	128	88 Å²	88	60%	0.598	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.3	171.3	-174.6	162.3	-104.5	0	0	109.7	S188 C189	Q184-S188 WeakPolarHBondContact CA-O 3.47Å; Q184-C189 PolarHBondContact OE1-SG 3.11Å; Q184-C189 VanDerWaalsContact OE1-SG 3.4Å
185	V	47.3	Very low	44.3	Very low	64 Å²	64	98.6 Å²	98.6	39%	0.388	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125	171.9	-170.5	0	0	0	0	107.5	L183 K187 S188 F190	L183-V185 HydrophobicContact CD2-CG2 4.04Å; L183-V185 HydrophobicContact CG-CG2 4.3Å; V185-K187 PolarHBondContact O-N 3.41Å; V185-S188 PolarHBondContact N-O 3.09Å; V185-S188 PolarHBondContact O-N 3.4Å; V185-S188 PolarHBondContact O-OG 3.38Å; V185-F190 HydrophobicContact CB-CD2 4.36Å; V185-F190 HydrophobicContact CB-CE2 3.71Å; V185-F190 HydrophobicContact CB-CZ 4.49Å; V185-F190 HydrophobicContact CG2-CD2 4.03Å; V185-F190 HydrophobicContact CG2-CE2 3.79Å
186	D	51.2	Low	44.5	Very low	154 Å²	154	97.6 Å²	97.6	82%	0.824	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	-103.8	-167.8	-58	-47.1	0	0	0	112.8
187	K	40.5	Very low	45	Very low	209 Å²	209	99.9 Å²	99.9	91%	0.909	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	20.4	-178.5	-61.5	179.6	-179	175.8	0	112.4	V185	V185-K187 PolarHBondContact O-N 3.41Å
188	S	34.7	Very low	45.1	Very low	19 Å²	19	98.9 Å²	98.9	13%	0.133	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.3	-173.7	59.1	0	0	0	0	112.7	Q184 V185 F190	Q184-S188 WeakPolarHBondContact CA-O 3.47Å; V185-S188 PolarHBondContact N-O 3.09Å; V185-S188 PolarHBondContact O-N 3.4Å; V185-S188 PolarHBondContact O-OG 3.38Å; S188-F190 VanDerWaalsContact O-CD2 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 VanDerWaalsContact O-CE2 3.26Å; S188-F190 WeakPolarHBondContact O-CE2 3.4Å; S188-F190 WeakPolarHBondContact OG-CE2 3.33Å
189	C	40.6	Very low	45	Very low	64 Å²	64	99.1 Å²	99.1	43%	0.432	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.4	178.6	-56	0	0	0	0	111	V182 Q184 F191	V182-C189 HydrophobicContact CG1-CB 4.01Å; Q184-C189 PolarHBondContact OE1-SG 3.11Å; Q184-C189 VanDerWaalsContact OE1-SG 3.4Å; C189-F191 HydrophobicContact CB-CE2 4.2Å
190	F	50.2	Low	45.2	Very low	17 Å²	17	99 Å²	99	8%	0.075	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103	176.1	-63	-96.2	0	0	0	109.1	T87 I89 V97 V182 L183 V185 S188 L192	T87-F190 HydrophobicContact CG2-CD1 4.28Å; T87-F190 HydrophobicContact CG2-CE1 3.3Å; T87-F190 HydrophobicContact CG2-CZ 3.63Å; I89-F190 HydrophobicContact CD1-CD1 4.24Å; I89-F190 HydrophobicContact CD1-CE1 4.37Å; I89-F190 HydrophobicContact CG1-CE1 4.5Å; V97-F190 HydrophobicContact CB-CE1 4.47Å; V97-F190 HydrophobicContact CG1-CE1 3.38Å; V97-F190 HydrophobicContact CG1-CZ 3.37Å; V97-F190 HydrophobicContact CG2-CE1 4.25Å; V182-F190 WeakPolarHBondContact CA-O 3.5Å; L183-F190 HydrophobicContact CB-CB 4.17Å; L183-F190 PolarHBondContact N-O 3.1Å; L183-F190 VanDerWaalsContact N-O 3.1Å; L183-F190 WeakPolarHBondContact O-CB 3.4Å; L183-F190 WeakPolarHBondContact O-CD2 3.2Å; L183-F190 PolarHBondContact O-N 3.34Å; V185-F190 HydrophobicContact CB-CD2 4.36Å; V185-F190 HydrophobicContact CB-CE2 3.71Å; V185-F190 HydrophobicContact CB-CZ 4.49Å; V185-F190 HydrophobicContact CG2-CD2 4.03Å; V185-F190 HydrophobicContact CG2-CE2 3.79Å; S188-F190 VanDerWaalsContact O-CD2 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 VanDerWaalsContact O-CE2 3.26Å; S188-F190 WeakPolarHBondContact O-CE2 3.4Å; S188-F190 WeakPolarHBondContact OG-CE2 3.33Å; F190-L192 HydrophobicContact CB-CG 4.42Å; F190-L192 PolarHBondContact O-N 2.99Å
191	F	48.8	Very low	45.1	Very low	90 Å²	90	102.8 Å²	102.8	40%	0.395	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	91.6	168.5	-69.3	-79.6	0	0	0	109.1	F51 C52 V180 V182 C189	F51-F191 HydrophobicContact CB-CE2 4.29Å; C52-F191 HydrophobicContact CB-CD2 4.46Å; V180-F191 HydrophobicContact CB-CD1 4.49Å; V180-F191 HydrophobicContact CG1-CB 3.69Å; V180-F191 HydrophobicContact CG1-CD1 3.72Å; V180-F191 HydrophobicContact CG1-CG 4.21Å; V182-F191 HydrophobicContact CG2-CD1 3.82Å; V182-F191 HydrophobicContact CG2-CE1 3.63Å; V182-F191 HydrophobicContact CG2-CZ 4.43Å; C189-F191 HydrophobicContact CB-CE2 4.2Å
192	L	47.3	Very low	45.2	Very low	80 Å²	80	106.2 Å²	106.2	42%	0.419	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.1	172.2	-65.1	175.4	0	0	0	108.2	V180 S181 L183 F190 S194	V180-L192 CarbonylContact C-O 3.56Å; V180-L192 WeakPolarHBondContact CG1-O 3.23Å; S181-L192 PolarHBondContact N-O 3.12Å; S181-L192 PolarHBondContact O-N 2.71Å; S181-L192 VanDerWaalsContact O-O 3.11Å; S181-L192 WeakPolarHBondContact OG-CB 3.11Å; S181-L192 PolarHBondContact OG-O 2.94Å; L183-L192 HydrophobicContact CB-CD1 4.22Å; F190-L192 HydrophobicContact CB-CG 4.42Å; F190-L192 PolarHBondContact O-N 2.99Å; L192-S194 PolarHBondContact O-N 3.39Å
193	P	43.8	Very low	45.2	Very low	106 Å²	106	108.2 Å²	108.2	69%	0.688	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.5	173.8	27.8	-33.6	0	0	0	109.2
194	S	50	Low	45.1	Very low	60 Å²	60	109.3 Å²	109.3	42%	0.42	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-60.8	147.3	167.3	-60.9	0	0	0	0	109.4	D179 S181 L192	D179-S194 WeakPolarHBondContact O-CB 3.4Å; D179-S194 PolarHBondContact O-N 3.34Å; D179-S194 PolarHBondContact O-OG 3.31Å; S181-S194 PolarHBondContact N-OG 3.49Å; L192-S194 PolarHBondContact O-N 3.39Å
195	R	48.3	Very low	45.7	Very low	321 Å²	321	107.6 Å²	107.6	100%	1.211	54%	0.536	S	S	*	.			trans	-82.4	0	171	-78	-171.1	175.5	-163.4	1	110.8

Retrieved 195 of 195 residues in 365.5 ms (Link to these results)

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