A0A077ZF55_TRITR Loading...

B9 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A077ZF55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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	47.9	Very low	45.2	Very low	227 Å²	227	171.1 Å²	171.1	100%	1.118	83%	0.832	S	S	*	*				0	104.4	0	-80.2	176.3	-173.7	0	0	108.2
2	F	43	Very low	47.2	Very low	216 Å²	216	162.3 Å²	162.3	95%	0.947	80%	0.798	S	S	*	*			trans	-97.1	110.6	169.3	-82.9	-84.7	0	0	0	108	S4	F2-S4 PolarHBondContact O-N 3.24Å
3	F	46	Very low	50	Low	198 Å²	198	152.2 Å²	152.2	87%	0.868	75%	0.748	S	S	*	*			trans	-73.4	105.8	168.8	-97.8	-94.5	0	0	0	108.3	C5	F3-C5 PolarHBondContact O-N 3.2Å
4	S	43	Very low	52.9	Low	110 Å²	110	141.4 Å²	141.4	77%	0.769	70%	0.696	S	S	*	*			trans	-71.4	105	168.1	177.3	0	0	0	0	108.7	F2 R6	F2-S4 PolarHBondContact O-N 3.24Å; S4-R6 PolarHBondContact O-N 3.09Å; S4-R6 VanDerWaalsContact O-N 3.13Å
5	C	42.2	Very low	55.6	Low	103 Å²	103	133.9 Å²	133.9	70%	0.696	66%	0.658	S	S	*	*			trans	-73.9	98.4	171.9	-160.5	0	0	0	0	108.2	F3 W7	F3-C5 PolarHBondContact O-N 3.2Å; C5-W7 PolarHBondContact O-N 3.13Å; C5-W7 VanDerWaalsContact O-N 3.09Å
6	R	38	Very low	58	Low	228 Å²	228	125.5 Å²	125.5	86%	0.86	62%	0.617	S	S	*	*			trans	-76.2	95.2	179.3	-152.6	178	-164.4	-156.2	3.5	108.5	S4 K8	S4-R6 PolarHBondContact O-N 3.09Å; S4-R6 VanDerWaalsContact O-N 3.13Å; R6-K8 PolarHBondContact O-N 2.92Å
7	W	37.6	Very low	60.3	Low	230 Å²	230	120.9 Å²	120.9	87%	0.871	59%	0.593	S	S	*	*			trans	-58.1	101.7	165.3	-65.8	89.5	0	0	0	107.9	C5 Q9	C5-W7 PolarHBondContact O-N 3.13Å; C5-W7 VanDerWaalsContact O-N 3.09Å; W7-Q9 PolarHBondContact O-N 3.06Å
8	K	40.2	Very low	62.3	Low	190 Å²	190	114.2 Å²	114.2	83%	0.826	56%	0.561	S	S	*	*			trans	-63	110.2	163.2	-84.1	-178.2	175.5	178.9	0	105.8	R6 V10	R6-K8 PolarHBondContact O-N 2.92Å; K8-V10 VanDerWaalsContact C-N 3.35Å; K8-V10 PolarHBondContact O-N 3.33Å
9	Q	43.9	Very low	64.2	Low	195 Å²	195	112.1 Å²	112.1	91%	0.911	55%	0.551	S	S	*	*			trans	-57.1	103.4	165.7	-76.1	179.9	-45.5	0	0	107.1	W7 A11	W7-Q9 PolarHBondContact O-N 3.06Å; Q9-A11 PolarHBondContact O-N 2.9Å
10	V	56	Low	65.8	Low	113 Å²	113	107.2 Å²	107.2	69%	0.685	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-65.8	123.1	169.1	-178	0	0	0	0	105.4	K8 M13	K8-V10 VanDerWaalsContact C-N 3.35Å; K8-V10 PolarHBondContact O-N 3.33Å; V10-M13 HydrophobicContact CG1-SD 4.5Å
11	A	59.8	Low	67.3	Low	72 Å²	72	105.8 Å²	105.8	60%	0.595	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-49.2	137.3	178.3	0	0	0	0	0	109.8	Q9 M13	Q9-A11 PolarHBondContact O-N 2.9Å; A11-M13 WeakPolarHBondContact O-CG 3.32Å; A11-M13 PolarHBondContact O-N 3.04Å
12	P	68.4	Low	69.7	Low	66 Å²	66	95 Å²	95	43%	0.429	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.8	116.1	-176.2	24.5	-32.6	0	0	0	108.8	K182 F183	P12-K182 HydrophobicContact CB-CD 4.38Å; P12-K182 HydrophobicContact CG-CD 4.04Å; P12-F183 VanDerWaalsContact O-CE2 3.27Å; P12-F183 WeakPolarHBondContact O-CE2 3.44Å; P12-F183 WeakPolarHBondContact O-CZ 3.28Å
13	M	83.5	Confident	72.2	Confident	30 Å²	30	85.8 Å²	85.8	15%	0.148	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-87.9	153.8	179.5	-53	-169.6	76	0	0	109.5	V10 A11 Y78 R80 N179	V10-M13 HydrophobicContact CG1-SD 4.5Å; A11-M13 WeakPolarHBondContact O-CG 3.32Å; A11-M13 PolarHBondContact O-N 3.04Å; M13-Y78 HydrophobicContact CB-CD2 4.35Å; M13-Y78 HydrophobicContact CE-CD2 3.47Å; M13-Y78 VanDerWaalsContact CE-CD2 3.47Å; M13-Y78 HydrophobicContact CE-CE2 3.52Å; M13-Y78 HydrophobicContact SD-CD2 3.54Å; M13-Y78 VanDerWaalsContact SD-CD2 3.54Å; M13-Y78 HydrophobicContact SD-CE2 3.65Å; M13-Y78 HydrophobicContact SD-CG 4.48Å; M13-R80 HydrophobicContact CE-CG 3.16Å; M13-N179 WeakPolarHBondContact O-CB 3.38Å; M13-N179 PolarHBondContact O-ND2 2.93Å
14	A	90.9	Very high	74.5	Confident	2 Å²	2	76.4 Å²	76.4	2%	0.017	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.1	172.7	0	0	0	0	0	108.8	Y78 T79 R178 F180 F183	A14-Y78 CarbonylContact O-C 3.55Å; A14-Y78 VanDerWaalsContact O-CA 3.24Å; A14-Y78 WeakPolarHBondContact O-CA 3.49Å; A14-T79 HydrophobicContact CB-CG2 3.88Å; A14-T79 PolarHBondContact N-O 2.98Å; A14-T79 PolarHBondContact O-N 3.42Å; A14-R178 WeakPolarHBondContact CA-O 3.41Å; A14-F180 HydrophobicContact CB-CD2 3.95Å; A14-F180 HydrophobicContact CB-CE1 4.38Å; A14-F180 HydrophobicContact CB-CE2 3.8Å; A14-F180 HydrophobicContact CB-CG 4.31Å; A14-F180 HydrophobicContact CB-CZ 4.02Å; A14-F183 HydrophobicContact CB-CD2 3.76Å; A14-F183 HydrophobicContact CB-CE2 3.87Å; A14-F183 VanDerWaalsContact N-CE2 3.29Å
15	E	93.4	Very high	76.9	Confident	28 Å²	28	71.2 Å²	71.2	13%	0.131	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.5	-176	-66.7	168.8	-154.8	0	0	110.5	H17 H76 L77 R178 F180	E15-H17 IonicContact OE2-NE2 3.93Å; E15-H76 IonicContact OE2-CE1 3.76Å; E15-H76 IonicContact OE2-NE2 3.23Å; E15-H76 PolarHBondContact OE2-NE2 2.87Å; E15-L77 CarbonylContact C-O 3.55Å; E15-L77 VanDerWaalsContact CA-O 3.24Å; E15-L77 WeakPolarHBondContact CA-O 3.48Å; E15-R178 HydrophobicContact CB-CB 4.22Å; E15-R178 PolarHBondContact N-O 3.37Å; E15-R178 PolarHBondContact O-N 3.24Å; E15-R178 IonicContact OE2-NH1 3.53Å; E15-F180 WeakPolarHBondContact O-CE2 3.11Å
16	V	94.9	Very high	79.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.1	174.1	-177.7	0	0	0	0	107.9	V18 W45 L77 W85 V175 I176 F180	V16-V18 HydrophobicContact CG1-CG2 3.9Å; V16-W45 HydrophobicContact CB-CZ3 4.26Å; V16-W45 HydrophobicContact CG2-CH2 3.9Å; V16-W45 HydrophobicContact CG2-CZ3 3.71Å; V16-L77 PolarHBondContact N-O 2.71Å; V16-L77 PolarHBondContact O-N 3.32Å; V16-W85 HydrophobicContact CG2-CH2 4.12Å; V16-V175 HydrophobicContact CG1-CG1 3.95Å; V16-I176 WeakPolarHBondContact CA-O 3.27Å; V16-F180 HydrophobicContact CG2-CE2 3.37Å; V16-F180 HydrophobicContact CG2-CZ 3.36Å
17	H	96.3	Very high	81.7	Confident	47 Å²	47	62.1 Å²	62.1	22%	0.218	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.8	166.6	-62.3	-114.3	0	0	0	108.7	E15 I75 H76 V175 I176	E15-H17 IonicContact OE2-NE2 3.93Å; H17-I75 CarbonylContact C-O 3.49Å; H17-I75 WeakPolarHBondContact CA-O 3.33Å; H17-H76 AromaticContact CD2-CD2 3.62Å; H17-H76 AromaticContact CD2-NE2 3.66Å; H17-H76 AromaticContact CE1-CD2 3.36Å; H17-H76 PolarHBondContact CE1-CD2 2.83Å; H17-H76 AromaticContact CE1-CE1 3.07Å; H17-H76 PolarHBondContact CE1-CE1 2.76Å; H17-H76 AromaticContact CE1-CG 3.36Å; H17-H76 AromaticContact CE1-ND1 3.22Å; H17-H76 PolarHBondContact CE1-ND1 2.83Å; H17-H76 AromaticContact CE1-NE2 3.2Å; H17-H76 PolarHBondContact CE1-NE2 3.25Å; H17-H76 AromaticContact CG-CD2 3.83Å; H17-H76 AromaticContact ND1-CD2 3.66Å; H17-H76 AromaticContact ND1-CG 3.54Å; H17-H76 AromaticContact ND1-ND1 3.81Å; H17-H76 AromaticContact ND1-NE2 3.98Å; H17-H76 AromaticContact NE2-CD2 3.33Å; H17-H76 PolarHBondContact NE2-CD2 2.81Å; H17-H76 VanDerWaalsContact NE2-CD2 3.33Å; H17-H76 AromaticContact NE2-CE1 3.25Å; H17-H76 PolarHBondContact NE2-CE1 3.02Å; H17-H76 VanDerWaalsContact NE2-CE1 3.25Å; H17-H76 AromaticContact NE2-CG 3.84Å; H17-H76 AromaticContact NE2-ND1 3.83Å; H17-H76 AromaticContact NE2-NE2 2.95Å; H17-H76 PolarHBondContact NE2-NE2 3.43Å; H17-V175 CarbonylContact O-C 3.52Å; H17-V175 WeakPolarHBondContact O-CA 3.44Å; H17-I176 HydrophobicContact CB-CB 4.21Å; H17-I176 PolarHBondContact N-O 2.99Å; H17-I176 PolarHBondContact O-N 3.07Å
18	V	97.3	Very high	84	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	109.3	174.1	-170	0	0	0	0	106.7	V16 D74 I75 V111 L173 F174 V175	V16-V18 HydrophobicContact CG1-CG2 3.9Å; V18-D74 WeakPolarHBondContact O-CA 2.92Å; V18-I75 HydrophobicContact CB-CB 4.18Å; V18-I75 PolarHBondContact N-O 2.87Å; V18-I75 PolarHBondContact O-N 3.05Å; V18-V111 HydrophobicContact CG1-CG1 4.37Å; V18-V111 HydrophobicContact CG2-CG1 3.47Å; V18-V111 VanDerWaalsContact CG2-CG1 3.47Å; V18-V111 HydrophobicContact CG2-CG2 4.32Å; V18-L173 HydrophobicContact CG1-CB 4.25Å; V18-L173 HydrophobicContact CG1-CD1 4.34Å; V18-L173 HydrophobicContact CG1-CD2 4.13Å; V18-L173 HydrophobicContact CG1-CG 4.48Å; V18-F174 WeakPolarHBondContact CA-O 3.32Å; V18-V175 HydrophobicContact CG1-CG2 4.44Å
19	I	97.2	Very high	86	Confident	74 Å²	74	45.9 Å²	45.9	38%	0.379	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	179	-56.9	171.7	0	0	0	106.8	I73 F174 I176	I19-I73 CarbonylContact C-O 3.57Å; I19-I73 VanDerWaalsContact CA-O 3.32Å; I19-I73 WeakPolarHBondContact CA-O 3.44Å; I19-F174 PolarHBondContact N-O 2.63Å; I19-F174 WeakPolarHBondContact O-CA 3.28Å; I19-F174 WeakPolarHBondContact O-CB 3.5Å; I19-F174 PolarHBondContact O-N 3.22Å; I19-I176 HydrophobicContact CD1-CD1 4.45Å
20	G	97	Very high	87.3	Confident	15 Å²	15	42.8 Å²	42.8	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-151.6	179.3	0	0	0	0	0	112.4	P72 I73 C172	G20-P72 CarbonylContact O-C 3.52Å; G20-P72 WeakPolarHBondContact O-CA 3.27Å; G20-I73 PolarHBondContact N-O 2.78Å; G20-I73 PolarHBondContact O-N 3.45Å; G20-C172 CarbonylContact C-O 3.6Å; G20-C172 WeakPolarHBondContact CA-O 3.34Å
21	E	97.2	Very high	88.5	Confident	77 Å²	77	40.1 Å²	40.1	36%	0.36	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	154	179.5	58.1	175.8	-152.5	0	0	113.4	T23 H71 L171 C172	E21-T23 HydrophobicContact CG-CG2 4Å; E21-H71 CarbonylContact C-O 3.6Å; E21-H71 WeakPolarHBondContact CA-O 3.44Å; E21-H71 WeakPolarHBondContact CB-O 3.38Å; E21-L171 VanDerWaalsContact O-CA 3.32Å; E21-L171 WeakPolarHBondContact O-CA 3.15Å; E21-C172 HydrophobicContact CG-CB 4.39Å; E21-C172 PolarHBondContact N-O 3.36Å; E21-C172 PolarHBondContact O-N 3.47Å
22	I	97.2	Very high	89.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.9	161.2	-51.3	179.4	0	0	0	106.6	W37 T56 F69 A70 H71 I73 L90 V169 L171	I22-W37 HydrophobicContact CD1-CB 4.02Å; I22-W37 HydrophobicContact CD1-CG 3.95Å; I22-T56 HydrophobicContact CD1-CG2 4.16Å; I22-F69 HydrophobicContact CG2-CD2 3.93Å; I22-A70 WeakPolarHBondContact O-CA 3.44Å; I22-A70 PolarHBondContact O-N 2.68Å; I22-H71 HydrophobicContact CB-CB 4.35Å; I22-H71 PolarHBondContact N-O 2.92Å; I22-H71 PolarHBondContact O-N 2.88Å; I22-I73 HydrophobicContact CD1-CD1 4.3Å; I22-I73 HydrophobicContact CG1-CD1 3.61Å; I22-I73 HydrophobicContact CG1-CG1 4.16Å; I22-L90 HydrophobicContact CD1-CD2 4.11Å; I22-V169 HydrophobicContact CG2-CG1 3.53Å; I22-L171 HydrophobicContact CG1-CD2 4.1Å
23	T	96.1	Very high	91.1	Very high	23 Å²	23	37.6 Å²	37.6	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-60.1	-170.1	63.6	0	0	0	0	111.2	E21 F68 F69 A70 R170 C172	E21-T23 HydrophobicContact CG-CG2 4Å; T23-F68 WeakPolarHBondContact O-CA 3.32Å; T23-F69 PolarHBondContact O-N 2.9Å; T23-A70 PolarHBondContact O-N 2.86Å; T23-R170 PolarHBondContact N-O 3.33Å; T23-R170 WeakPolarHBondContact OG1-CB 3.24Å; T23-R170 PolarHBondContact OG1-O 2.95Å; T23-R170 VanDerWaalsContact OG1-O 3.11Å; T23-C172 HydrophobicContact CG2-CB 4Å
24	D	94.5	Very high	91.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	166.7	-172.8	63.5	106.1	0	0	0	112.4	Q26 A66 P67 F68 V169 R170	D24-Q26 VanDerWaalsContact OD1-CG 3.3Å; D24-Q26 WeakPolarHBondContact OD1-CG 3.24Å; D24-Q26 PolarHBondContact OD1-NE2 3.2Å; D24-A66 HydrophobicContact CB-CB 4.24Å; D24-P67 VanDerWaalsContact CA-O 3.23Å; D24-P67 WeakPolarHBondContact CA-O 3.02Å; D24-P67 VanDerWaalsContact CB-O 3.27Å; D24-P67 WeakPolarHBondContact CB-O 3.28Å; D24-F68 HydrophobicContact CB-CD1 3.87Å; D24-F68 HydrophobicContact CB-CE1 4.13Å; D24-F68 HydrophobicContact CB-CG 4.36Å; D24-V169 WeakPolarHBondContact O-CA 3.16Å; D24-R170 VanDerWaalsContact CG-NE 3.28Å; D24-R170 PolarHBondContact O-N 2.8Å; D24-R170 IonicContact OD1-CZ 2.79Å; D24-R170 VanDerWaalsContact OD1-CZ 3.29Å; D24-R170 IonicContact OD1-NE 2.76Å; D24-R170 PolarHBondContact OD1-NE 3.28Å; D24-R170 IonicContact OD1-NH2 2.63Å; D24-R170 PolarHBondContact OD1-NH2 2.95Å; D24-R170 IonicContact OD2-CZ 3.8Å; D24-R170 IonicContact OD2-NE 2.72Å; D24-R170 PolarHBondContact OD2-NE 3.23Å; D24-R170 IonicContact OD2-NH2 3.14Å; D24-R170 PolarHBondContact OD2-NH2 2.8Å
25	A	94.1	Very high	91.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.8	172.3	0	0	0	0	0	111.7	F28 L33 A66 P67 F69 R168 V169	A25-F28 HydrophobicContact CB-CD2 3.83Å; A25-F28 HydrophobicContact CB-CE2 3.81Å; A25-L33 HydrophobicContact CB-CD1 3.93Å; A25-A66 WeakPolarHBondContact O-CB 3.35Å; A25-P67 HydrophobicContact CB-CG 4.24Å; A25-P67 PolarHBondContact N-O 2.86Å; A25-P67 WeakPolarHBondContact O-CD 3.21Å; A25-P67 WeakPolarHBondContact O-CG 3.49Å; A25-F69 HydrophobicContact CB-CE2 3.55Å; A25-F69 HydrophobicContact CB-CZ 3.87Å; A25-R168 CarbonylContact C-O 3.58Å; A25-R168 WeakPolarHBondContact CA-O 3.24Å; A25-V169 HydrophobicContact CB-CG2 4.19Å
26	Q	92.3	Very high	91.9	Very high	72 Å²	72	37.6 Å²	37.6	34%	0.336	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.7	-177.1	-57.6	-173.7	-5	0	0	111.6	D24 F28 A66 G167 R168 R170	D24-Q26 VanDerWaalsContact OD1-CG 3.3Å; D24-Q26 WeakPolarHBondContact OD1-CG 3.24Å; D24-Q26 PolarHBondContact OD1-NE2 3.2Å; Q26-F28 WeakPolarHBondContact O-CD2 3.49Å; Q26-A66 HydrophobicContact CG-CB 4.12Å; Q26-G167 CarbonylContact O-C 3.46Å; Q26-G167 VanDerWaalsContact O-CA 3.26Å; Q26-G167 WeakPolarHBondContact O-CA 3.27Å; Q26-R168 PolarHBondContact N-O 3.34Å; Q26-R168 PolarHBondContact O-N 3.33Å; Q26-R170 VanDerWaalsContact NE2-NE 3.14Å
27	G	88.7	Confident	92	Very high	67 Å²	67	37.8 Å²	37.8	69%	0.691	22%	0.222	S	C	*	.	S	Bend	trans	85.6	8	173.6	0	0	0	0	0	115.6	A166	G27-A166 VanDerWaalsContact O-O 3.07Å
28	F	86	Confident	92	Very high	25 Å²	25	36.8 Å²	36.8	11%	0.11	22%	0.22	C	C	.	.	S	Bend	trans	-95.9	8	-178.5	-65.1	-82.5	0	0	0	114.5	A25 Q26 N31 L33 V92 A104 V124 A166 V169	A25-F28 HydrophobicContact CB-CD2 3.83Å; A25-F28 HydrophobicContact CB-CE2 3.81Å; Q26-F28 WeakPolarHBondContact O-CD2 3.49Å; F28-N31 PolarHBondContact O-ND2 3.27Å; F28-L33 HydrophobicContact CB-CD1 3.5Å; F28-L33 VanDerWaalsContact CB-CD1 3.5Å; F28-L33 HydrophobicContact CB-CD2 4.16Å; F28-L33 HydrophobicContact CB-CG 4.42Å; F28-L33 HydrophobicContact CD2-CD1 3.77Å; F28-L33 HydrophobicContact CG-CD1 3.77Å; F28-V92 HydrophobicContact CD1-CG1 4.37Å; F28-V92 HydrophobicContact CE1-CB 4.24Å; F28-V92 HydrophobicContact CE1-CG1 3.99Å; F28-V92 HydrophobicContact CE2-CG1 4.29Å; F28-V92 HydrophobicContact CZ-CB 4.13Å; F28-V92 HydrophobicContact CZ-CG1 3.94Å; F28-V92 HydrophobicContact CZ-CG2 3.97Å; F28-A104 HydrophobicContact CD1-CB 4.01Å; F28-A104 HydrophobicContact CE1-CB 4.08Å; F28-V124 HydrophobicContact CE1-CB 4.3Å; F28-V124 HydrophobicContact CE1-CG1 4Å; F28-V124 HydrophobicContact CZ-CB 3.72Å; F28-V124 HydrophobicContact CZ-CG1 3.82Å; F28-V124 HydrophobicContact CZ-CG2 3.93Å; F28-A166 HydrophobicContact CD1-CB 4.47Å; F28-A166 HydrophobicContact CE1-CB 3.9Å; F28-V169 HydrophobicContact CE2-CG2 4.49Å
29	G	81.6	Confident	91.9	Very high	55 Å²	55	37.4 Å²	37.4	57%	0.567	22%	0.223	S	C	*	.			trans	73	-164.9	-176.2	0	0	0	0	0	113.8	N31	G29-N31 PolarHBondContact O-N 2.94Å
30	E	71.9	Confident	91.8	Very high	129 Å²	129	36.9 Å²	36.9	60%	0.603	22%	0.218	S	C	*	.	S	Bend	trans	-85.1	59	-177.8	-64.7	176.7	-173.4	0	0	111.7	T63	E30-T63 WeakPolarHBondContact OE1-CB 3.22Å; E30-T63 PolarHBondContact OE1-OG1 2.74Å
31	N	79.7	Confident	91.6	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	23%	0.227	S	C	.	.			trans	-113.9	151	-177.4	-68.8	-56.6	0	0	0	111.3	F28 G29 L33 G61 N94	F28-N31 PolarHBondContact O-ND2 3.27Å; G29-N31 PolarHBondContact O-N 2.94Å; N31-L33 HydrophobicContact CB-CD2 3.92Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-G61 PolarHBondContact O-N 3.06Å; N31-N94 WeakPolarHBondContact CB-ND2 3.5Å; N31-N94 WeakPolarHBondContact CB-OD1 3.27Å; N31-N94 PolarHBondContact ND2-ND2 2.79Å; N31-N94 PolarHBondContact OD1-ND2 2.79Å; N31-N94 VanDerWaalsContact OD1-ND2 3.09Å
32	E	90.6	Very high	91.3	Very high	83 Å²	83	37.6 Å²	37.6	39%	0.388	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.8	163.5	-74.2	-167.1	160.7	0	0	108.5	T58 N94 R95	E32-T58 HydrophobicContact CB-CG2 3.77Å; E32-T58 HydrophobicContact CG-CG2 4.43Å; E32-N94 CarbonylContact O-C 3.55Å; E32-N94 WeakPolarHBondContact O-CA 3.22Å; E32-R95 HydrophobicContact CB-CB 3.96Å; E32-R95 PolarHBondContact O-N 3.05Å
33	L	93.5	Very high	90.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.7	-177	-57.6	179.6	0	0	0	111	A25 F28 N31 T58 A59 P67 F69 V92 W93 N94	A25-L33 HydrophobicContact CB-CD1 3.93Å; F28-L33 HydrophobicContact CB-CD1 3.5Å; F28-L33 VanDerWaalsContact CB-CD1 3.5Å; F28-L33 HydrophobicContact CB-CD2 4.16Å; F28-L33 HydrophobicContact CB-CG 4.42Å; F28-L33 HydrophobicContact CD2-CD1 3.77Å; F28-L33 HydrophobicContact CG-CD1 3.77Å; N31-L33 HydrophobicContact CB-CD2 3.92Å; N31-L33 PolarHBondContact O-N 2.87Å; L33-T58 CarbonylContact O-C 3.54Å; L33-T58 VanDerWaalsContact O-CA 3.26Å; L33-T58 WeakPolarHBondContact O-CA 3.35Å; L33-A59 PolarHBondContact N-O 2.99Å; L33-A59 PolarHBondContact O-N 3.29Å; L33-P67 HydrophobicContact CB-CG 4.4Å; L33-P67 HydrophobicContact CD1-CG 3.6Å; L33-P67 HydrophobicContact CG-CG 4.22Å; L33-F69 HydrophobicContact CB-CE1 4.2Å; L33-F69 HydrophobicContact CB-CZ 3.92Å; L33-F69 WeakPolarHBondContact O-CE1 3.25Å; L33-V92 HydrophobicContact CD1-CG1 4.47Å; L33-V92 HydrophobicContact CD2-CG1 4.42Å; L33-W93 VanDerWaalsContact CA-O 3.23Å; L33-W93 WeakPolarHBondContact CA-O 3.39Å; L33-W93 WeakPolarHBondContact CD2-O 3.32Å; L33-N94 HydrophobicContact CD2-CB 4Å
34	F	94.9	Very high	90.6	Very high	23 Å²	23	41 Å²	41	10%	0.101	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.3	158.3	64.6	-88.7	0	0	0	109	Q55 W93 A101	F34-Q55 HydrophobicContact CD2-CG 4.12Å; F34-W93 HydrophobicContact CD1-CB 3.83Å; F34-W93 HydrophobicContact CD2-CB 3.86Å; F34-W93 AromaticContact CD2-CD1 3.86Å; F34-W93 HydrophobicContact CD2-CG 4.05Å; F34-W93 HydrophobicContact CE1-CB 3.4Å; F34-W93 HydrophobicContact CE1-CG 4.15Å; F34-W93 HydrophobicContact CE2-CB 3.41Å; F34-W93 VanDerWaalsContact CE2-CB 3.41Å; F34-W93 AromaticContact CE2-CD1 3.32Å; F34-W93 HydrophobicContact CE2-CD2 4.13Å; F34-W93 AromaticContact CE2-CG 3.33Å; F34-W93 HydrophobicContact CE2-CG 3.33Å; F34-W93 HydrophobicContact CG-CB 4.05Å; F34-W93 HydrophobicContact CZ-CB 3.18Å; F34-W93 AromaticContact CZ-CD1 3.91Å; F34-W93 AromaticContact CZ-CD2 4Å; F34-W93 HydrophobicContact CZ-CD2 4Å; F34-W93 AromaticContact CZ-CG 3.41Å; F34-W93 HydrophobicContact CZ-CG 3.41Å; F34-W93 VanDerWaalsContact CZ-CG 3.41Å; F34-W93 PolarHBondContact N-O 2.83Å; F34-W93 PolarHBondContact O-N 2.75Å; F34-A101 HydrophobicContact CE1-CB 3.88Å; F34-A101 HydrophobicContact CZ-CB 3.8Å
35	C	94.7	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.3	-179.2	-170.6	0	0	0	0	109.5	Q55 T56 F69 Q91	C35-Q55 WeakPolarHBondContact O-CA 3.49Å; C35-T56 HydrophobicContact CB-CG2 3.83Å; C35-T56 PolarHBondContact N-OG1 3.43Å; C35-T56 WeakPolarHBondContact O-CG2 3.31Å; C35-T56 PolarHBondContact O-N 3Å; C35-F69 HydrophobicContact CB-CE2 4.31Å; C35-Q91 WeakPolarHBondContact CA-O 3.17Å
36	S	95.4	Very high	90.6	Very high	37 Å²	37	46.4 Å²	46.4	26%	0.259	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.4	164.5	-169.6	0	0	0	0	107.9	G54 L90 Q91	S36-G54 WeakPolarHBondContact CA-O 3.32Å; S36-L90 CarbonylContact O-C 3.58Å; S36-L90 WeakPolarHBondContact O-CA 3.49Å; S36-Q91 PolarHBondContact N-O 3.24Å; S36-Q91 PolarHBondContact O-N 3.27Å
37	W	96.1	Very high	90.7	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.019	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.4	177.3	70	-89.6	0	0	0	111.3	I22 L39 S51 S53 G54 H71 I73 I75 I88 E89 L90	I22-W37 HydrophobicContact CD1-CB 4.02Å; I22-W37 HydrophobicContact CD1-CG 3.95Å; W37-L39 HydrophobicContact CZ3-CB 4.45Å; W37-S51 VanDerWaalsContact CH2-O 3.22Å; W37-S51 WeakPolarHBondContact CH2-O 3.49Å; W37-S53 WeakPolarHBondContact O-CA 3.12Å; W37-S53 VanDerWaalsContact O-CB 3.26Å; W37-S53 WeakPolarHBondContact O-CB 3.36Å; W37-G54 VanDerWaalsContact CD1-C 3.5Å; W37-G54 PolarHBondContact N-O 2.87Å; W37-G54 VanDerWaalsContact NE1-CA 3.34Å; W37-G54 PolarHBondContact O-N 3.42Å; W37-H71 AromaticContact CD1-CD2 3.77Å; W37-H71 AromaticContact CD1-NE2 3.72Å; W37-H71 AromaticContact NE1-CD2 3.32Å; W37-H71 PolarHBondContact NE1-CD2 2.91Å; W37-H71 VanDerWaalsContact NE1-CD2 3.32Å; W37-H71 AromaticContact NE1-NE2 3.01Å; W37-H71 PolarHBondContact NE1-NE2 3.25Å; W37-I73 HydrophobicContact CH2-CG2 4.34Å; W37-I73 HydrophobicContact CZ2-CG1 4.29Å; W37-I75 HydrophobicContact CH2-CD1 4.13Å; W37-I75 HydrophobicContact CH2-CG1 4.09Å; W37-I75 HydrophobicContact CZ3-CD1 3.84Å; W37-I75 HydrophobicContact CZ3-CG1 4.24Å; W37-I88 HydrophobicContact CB-CG2 4.31Å; W37-I88 HydrophobicContact CE3-CG2 4.39Å; W37-E89 CarbonylContact C-O 3.49Å; W37-E89 WeakPolarHBondContact CA-O 3.35Å; W37-L90 HydrophobicContact CB-CD2 3.44Å; W37-L90 VanDerWaalsContact CB-CD2 3.44Å
38	S	95.7	Very high	91	Very high	25 Å²	25	47 Å²	47	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.4	172.7	80.2	0	0	0	0	111.6	K40 A52 E89	S38-K40 VanDerWaalsContact OG-CE 3.28Å; S38-K40 WeakPolarHBondContact OG-CE 3.35Å; S38-A52 CarbonylContact C-O 3.54Å; S38-A52 WeakPolarHBondContact CA-O 3.22Å; S38-E89 PolarHBondContact N-O 2.81Å; S38-E89 PolarHBondContact O-N 2.85Å; S38-E89 PolarHBondContact OG-OE2 2.88Å
39	L	95.7	Very high	91.4	Very high	14 Å²	14	48 Å²	48	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127	179.4	-179.4	63.3	0	0	0	109.5	W37 Y41 L47 A52 I75 L77 P86	W37-L39 HydrophobicContact CZ3-CB 4.45Å; L39-Y41 HydrophobicContact CD2-CD1 3.85Å; L39-Y41 HydrophobicContact CD2-CE1 3.81Å; L39-Y41 HydrophobicContact CG-CD1 3.75Å; L39-Y41 HydrophobicContact CG-CE1 4.04Å; L39-L47 HydrophobicContact CD2-CD1 4.12Å; L39-A52 VanDerWaalsContact CB-O 3.27Å; L39-A52 WeakPolarHBondContact CB-O 3.46Å; L39-A52 PolarHBondContact N-O 3.2Å; L39-I75 HydrophobicContact CD1-CD1 4.05Å; L39-I75 HydrophobicContact CD2-CD1 4.19Å; L39-I75 HydrophobicContact CD2-CG1 4.36Å; L39-I75 HydrophobicContact CD2-CG2 3.45Å; L39-I75 VanDerWaalsContact CD2-CG2 3.45Å; L39-L77 HydrophobicContact CD2-CD1 4.25Å; L39-L77 HydrophobicContact CD2-CD2 4.05Å; L39-L77 HydrophobicContact CD2-CG 4.43Å; L39-P86 HydrophobicContact CD1-CB 4.05Å
40	K	94.3	Very high	92	Very high	63 Å²	63	47.4 Å²	47.4	27%	0.274	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.2	174.1	-54.1	-62	-175.3	-175.5	0	109.1	S38 P86 K87 E89	S38-K40 VanDerWaalsContact OG-CE 3.28Å; S38-K40 WeakPolarHBondContact OG-CE 3.35Å; K40-P86 CarbonylContact O-C 3.57Å; K40-P86 WeakPolarHBondContact O-CA 3.49Å; K40-K87 PolarHBondContact N-O 3.47Å; K40-K87 PolarHBondContact O-N 3.43Å; K40-E89 WeakPolarHBondContact CE-OE2 3.38Å; K40-E89 HydrophobicContact CG-CB 4.28Å; K40-E89 IonicContact NZ-OE2 3.45Å; K40-E89 PolarHBondContact NZ-OE2 3.21Å
41	Y	93.4	Very high	93.1	Very high	85 Å²	85	44.1 Å²	44.1	33%	0.333	27%	0.267	S	S	.	.			trans	-150.4	160.9	176.7	50.7	-109.5	0	0	0	110.5	L39 W45 L77	L39-Y41 HydrophobicContact CD2-CD1 3.85Å; L39-Y41 HydrophobicContact CD2-CE1 3.81Å; L39-Y41 HydrophobicContact CG-CD1 3.75Å; L39-Y41 HydrophobicContact CG-CE1 4.04Å; Y41-W45 HydrophobicContact CD2-CB 3.63Å; Y41-W45 HydrophobicContact CE2-CB 4.47Å; Y41-W45 WeakPolarHBondContact CE2-O 3.4Å; Y41-W45 HydrophobicContact CG-CB 3.76Å; Y41-L77 HydrophobicContact CD1-CD2 3.78Å; Y41-L77 HydrophobicContact CE1-CD2 3.81Å
42	G	91	Very high	93.9	Very high	21 Å²	21	43.3 Å²	43.3	22%	0.216	27%	0.268	C	S	.	.			trans	-77.9	170.5	179.2	0	0	0	0	0	113.6	G44 W45 G84	G42-G44 PolarHBondContact O-N 2.88Å; G42-W45 PolarHBondContact O-N 2.84Å; G42-G84 PolarHBondContact N-O 3.45Å
43	G	89.2	Confident	94.2	Very high	66 Å²	66	42.9 Å²	42.9	68%	0.68	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.9	-174.5	0	0	0	0	0	115.7	W45 R46	G43-W45 VanDerWaalsContact C-N 3.33Å; G43-R46 PolarHBondContact O-NH1 3.21Å
44	G	89.7	Confident	94.3	Very high	28 Å²	28	43.9 Å²	43.9	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.4	176.1	0	0	0	0	0	115.1	G42 T79 R80	G42-G44 PolarHBondContact O-N 2.88Å; G44-T79 WeakPolarHBondContact O-CA 3.5Å; G44-T79 PolarHBondContact O-OG1 2.85Å; G44-T79 VanDerWaalsContact O-OG1 3.06Å; G44-R80 PolarHBondContact O-N 2.79Å
45	W	93.3	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.7	-176.6	-64.5	82.2	0	0	0	111.6	V16 Y41 G42 G43 L77 T79 S81 Q83 G84 W85 P86 F180	V16-W45 HydrophobicContact CB-CZ3 4.26Å; V16-W45 HydrophobicContact CG2-CH2 3.9Å; V16-W45 HydrophobicContact CG2-CZ3 3.71Å; Y41-W45 HydrophobicContact CD2-CB 3.63Å; Y41-W45 HydrophobicContact CE2-CB 4.47Å; Y41-W45 WeakPolarHBondContact CE2-O 3.4Å; Y41-W45 HydrophobicContact CG-CB 3.76Å; G42-W45 PolarHBondContact O-N 2.84Å; G43-W45 VanDerWaalsContact C-N 3.33Å; W45-L77 HydrophobicContact CE3-CB 3.97Å; W45-L77 HydrophobicContact CE3-CD1 4.19Å; W45-L77 HydrophobicContact CZ3-CB 4.29Å; W45-T79 HydrophobicContact CD2-CG2 4.32Å; W45-T79 HydrophobicContact CE3-CG2 4.1Å; W45-T79 HydrophobicContact CH2-CG2 3.66Å; W45-T79 HydrophobicContact CZ2-CG2 3.86Å; W45-T79 HydrophobicContact CZ3-CG2 3.78Å; W45-S81 PolarHBondContact NE1-O 3.26Å; W45-Q83 VanDerWaalsContact CD1-O 3.3Å; W45-Q83 PolarHBondContact NE1-O 2.93Å; W45-G84 VanDerWaalsContact CD1-O 3.26Å; W45-G84 PolarHBondContact NE1-O 2.93Å; W45-W85 HydrophobicContact CH2-CD2 4.36Å; W45-W85 AromaticContact CH2-CE3 3.62Å; W45-W85 HydrophobicContact CH2-CE3 3.62Å; W45-W85 AromaticContact CH2-CH2 3.87Å; W45-W85 HydrophobicContact CH2-CH2 3.87Å; W45-W85 AromaticContact CH2-CZ3 3.34Å; W45-W85 HydrophobicContact CH2-CZ3 3.34Å; W45-W85 HydrophobicContact CZ2-CD2 4.15Å; W45-W85 AromaticContact CZ2-CE3 3.33Å; W45-W85 HydrophobicContact CZ2-CE3 3.33Å; W45-W85 HydrophobicContact CZ2-CH2 4.44Å; W45-W85 AromaticContact CZ2-CZ3 3.52Å; W45-W85 HydrophobicContact CZ2-CZ3 3.52Å; W45-P86 HydrophobicContact CD2-CG 3.85Å; W45-P86 HydrophobicContact CE3-CG 3.64Å; W45-P86 HydrophobicContact CH2-CG 4.22Å; W45-P86 HydrophobicContact CZ2-CG 4.43Å; W45-P86 HydrophobicContact CZ3-CG 3.83Å; W45-F180 HydrophobicContact CH2-CZ 4.12Å
46	R	94.2	Very high	94.4	Very high	117 Å²	117	48.6 Å²	48.6	44%	0.442	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138	176.2	-70.6	-64.9	-177.4	-85.7	-2.3	110.2	G43 L48 L77 Y78	G43-R46 PolarHBondContact O-NH1 3.21Å; R46-L48 PolarHBondContact O-N 2.99Å; R46-L77 WeakPolarHBondContact O-CA 3.23Å; R46-Y78 HydrophobicContact CB-CD1 3.87Å; R46-Y78 HydrophobicContact CB-CD2 4.5Å; R46-Y78 HydrophobicContact CB-CE1 3.29Å; R46-Y78 HydrophobicContact CB-CE2 3.98Å; R46-Y78 HydrophobicContact CB-CG 4.46Å; R46-Y78 HydrophobicContact CG-CE1 4.19Å; R46-Y78 HydrophobicContact CG-CE2 4.22Å; R46-Y78 PolarHBondContact N-O 2.88Å; R46-Y78 PolarHBondContact O-N 2.9Å
47	L	95.8	Very high	94.4	Very high	53 Å²	53	51.9 Å²	51.9	28%	0.277	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.1	171.4	-168.7	75.9	0	0	0	109.5	L39 A49 A52 I75 L77	L39-L47 HydrophobicContact CD2-CD1 4.12Å; L47-A49 VanDerWaalsContact CD1-O 3.28Å; L47-A49 WeakPolarHBondContact CD1-O 3.22Å; L47-A52 HydrophobicContact CD2-CB 4.06Å; L47-I75 HydrophobicContact CD1-CG2 3.91Å; L47-L77 HydrophobicContact CB-CD2 4.3Å; L47-L77 HydrophobicContact CD1-CD2 4.11Å
48	L	93.9	Very high	94.2	Very high	98 Å²	98	54.4 Å²	54.4	51%	0.513	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-44.4	173.5	-162.5	62.9	0	0	0	111.4	R46 H76 Y78	R46-L48 PolarHBondContact O-N 2.99Å; L48-H76 WeakPolarHBondContact CD2-CE1 3.26Å; L48-H76 PolarHBondContact N-O 2.87Å; L48-Y78 HydrophobicContact CB-CD1 4.04Å; L48-Y78 HydrophobicContact CD1-CD1 3.86Å; L48-Y78 HydrophobicContact CD1-CE1 4.05Å; L48-Y78 HydrophobicContact CG-CD1 4.42Å
49	A	94.7	Very high	94.1	Very high	48 Å²	48	53.7 Å²	53.7	40%	0.397	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	171.4	-179.5	0	0	0	0	0	111.1	L47 H76	L47-A49 VanDerWaalsContact CD1-O 3.28Å; L47-A49 WeakPolarHBondContact CD1-O 3.22Å; A49-H76 HydrophobicContact CB-CB 3.97Å; A49-H76 PolarHBondContact N-O 3.39Å; A49-H76 WeakPolarHBondContact O-CB 3.27Å; A49-H76 PolarHBondContact O-N 3.12Å
50	G	95.1	Very high	93.8	Very high	41 Å²	41	57.2 Å²	57.2	42%	0.423	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-160.9	-177.2	0	0	0	0	0	113	D74	G50-D74 CarbonylContact C-O 3.51Å; G50-D74 VanDerWaalsContact CA-O 3.31Å; G50-D74 WeakPolarHBondContact CA-O 3.27Å
51	S	95.3	Very high	93.3	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	35%	0.349	S	S	.	.			trans	-107.1	131.9	-173.1	-65	0	0	0	0	111.3	W37 S53 D74 I75	W37-S51 VanDerWaalsContact CH2-O 3.22Å; W37-S51 WeakPolarHBondContact CH2-O 3.49Å; S51-S53 VanDerWaalsContact C-N 3.33Å; S51-D74 PolarHBondContact N-O 3.39Å; S51-I75 WeakPolarHBondContact O-CG1 3.48Å
52	A	95.3	Very high	92.6	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	35%	0.352	S	S	.	.	S	Bend	trans	-82.4	-14.7	171.1	0	0	0	0	0	112.9	S38 L39 L47	S38-A52 CarbonylContact C-O 3.54Å; S38-A52 WeakPolarHBondContact CA-O 3.22Å; L39-A52 VanDerWaalsContact CB-O 3.27Å; L39-A52 WeakPolarHBondContact CB-O 3.46Å; L39-A52 PolarHBondContact N-O 3.2Å; L47-A52 HydrophobicContact CD2-CB 4.06Å
53	S	96.5	Very high	91.8	Very high	74 Å²	74	58.2 Å²	58.2	52%	0.517	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	163.7	-178.6	55.3	0	0	0	0	110	W37 S51	W37-S53 WeakPolarHBondContact O-CA 3.12Å; W37-S53 VanDerWaalsContact O-CB 3.26Å; W37-S53 WeakPolarHBondContact O-CB 3.36Å; S51-S53 VanDerWaalsContact C-N 3.33Å
54	G	96.1	Very high	91.3	Very high	21 Å²	21	62.3 Å²	62.3	22%	0.216	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	176.4	176.1	0	0	0	0	0	111.8	S36 W37	S36-G54 WeakPolarHBondContact CA-O 3.32Å; W37-G54 VanDerWaalsContact CD1-C 3.5Å; W37-G54 PolarHBondContact N-O 2.87Å; W37-G54 VanDerWaalsContact NE1-CA 3.34Å; W37-G54 PolarHBondContact O-N 3.42Å
55	Q	96.2	Very high	91	Very high	114 Å²	114	66.8 Å²	66.8	53%	0.533	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.3	179.7	-173.8	176	47.5	0	0	109.2	F34 C35 H71	F34-Q55 HydrophobicContact CD2-CG 4.12Å; C35-Q55 WeakPolarHBondContact O-CA 3.49Å; Q55-H71 PolarHBondContact O-CE1 3.17Å; Q55-H71 PolarHBondContact O-ND1 2.99Å
56	T	96.2	Very high	90.7	Very high	8 Å²	8	68 Å²	68	5%	0.049	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-75.2	163.5	176.3	73.9	0	0	0	0	110.9	I22 C35 F69 H71	I22-T56 HydrophobicContact CD1-CG2 4.16Å; C35-T56 HydrophobicContact CB-CG2 3.83Å; C35-T56 PolarHBondContact N-OG1 3.43Å; C35-T56 WeakPolarHBondContact O-CG2 3.31Å; C35-T56 PolarHBondContact O-N 3Å; T56-F69 HydrophobicContact CG2-CB 3.9Å; T56-F69 HydrophobicContact CG2-CD1 4.34Å; T56-F69 HydrophobicContact CG2-CD2 4.5Å; T56-F69 HydrophobicContact CG2-CG 4.01Å; T56-F69 WeakPolarHBondContact OG1-CD1 3.32Å; T56-H71 HydrophobicContact CG2-CB 3.5Å
57	H	94.1	Very high	90.4	Very high	107 Å²	107	62.8 Å²	62.8	50%	0.495	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.9	166.9	160	62	-96	0	0	0	110.9	F68 F69	H57-F68 PolarHBondContact NE2-O 3.38Å; H57-F69 PolarHBondContact CE1-O 2.62Å; H57-F69 PolarHBondContact ND1-O 3.17Å
58	T	93.6	Very high	90.3	Very high	58 Å²	58	66.1 Å²	66.1	36%	0.356	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-80.1	123.5	171	-54.8	0	0	0	0	109.9	E32 L33	E32-T58 HydrophobicContact CB-CG2 3.77Å; E32-T58 HydrophobicContact CG-CG2 4.43Å; L33-T58 CarbonylContact O-C 3.54Å; L33-T58 VanDerWaalsContact O-CA 3.26Å; L33-T58 WeakPolarHBondContact O-CA 3.35Å
59	A	93	Very high	90.3	Very high	10 Å²	10	61.5 Å²	61.5	8%	0.083	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	177.9	0	0	0	0	0	110	L33 P67 F68 F69	L33-A59 PolarHBondContact N-O 2.99Å; L33-A59 PolarHBondContact O-N 3.29Å; A59-P67 HydrophobicContact CB-CB 3.74Å; A59-P67 WeakPolarHBondContact O-CB 3.14Å; A59-F68 WeakPolarHBondContact CB-O 3.09Å; A59-F69 HydrophobicContact CB-CD1 3.8Å; A59-F69 HydrophobicContact CB-CE1 3.84Å
60	S	89	Confident	90.2	Very high	87 Å²	87	62.1 Å²	62.1	61%	0.608	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	125.8	175.6	55.9	0	0	0	0	110.4
61	G	82.8	Confident	90.3	Very high	14 Å²	14	61.8 Å²	61.8	14%	0.144	37%	0.368	C	S	.	.			trans	-84.1	157.3	166.1	0	0	0	0	0	111.9	N31 H65	N31-G61 PolarHBondContact O-N 3.06Å; G61-H65 WeakPolarHBondContact CA-O 3.35Å
62	S	79.7	Confident	90.4	Very high	56 Å²	56	63.3 Å²	63.3	39%	0.392	38%	0.376	S	S	.	.			trans	-122.3	172.2	162.3	74.1	0	0	0	0	109.6	L64 H65	S62-L64 PolarHBondContact O-N 3.01Å; S62-L64 VanDerWaalsContact O-N 3.09Å; S62-L64 PolarHBondContact OG-N 3.03Å; S62-H65 PolarHBondContact N-O 2.79Å; S62-H65 PolarHBondContact O-N 3.03Å; S62-H65 PolarHBondContact OG-N 3.4Å; S62-H65 VanDerWaalsContact OG-N 3.12Å
63	T	74.1	Confident	90.4	Very high	121 Å²	121	61.4 Å²	61.4	74%	0.742	36%	0.36	S	S	*	.	S	Bend	trans	-55.6	-28.8	175	-18.1	0	0	0	0	112.7	E30	E30-T63 WeakPolarHBondContact OE1-CB 3.22Å; E30-T63 PolarHBondContact OE1-OG1 2.74Å
64	L	78.5	Confident	90.5	Very high	152 Å²	152	61.9 Å²	61.9	80%	0.796	36%	0.357	S	S	*	.	S	Bend	trans	-96.9	-25.7	-176.6	-65.9	170.4	0	0	0	113.1	S62	S62-L64 PolarHBondContact O-N 3.01Å; S62-L64 VanDerWaalsContact O-N 3.09Å; S62-L64 PolarHBondContact OG-N 3.03Å
65	H	82.8	Confident	90.5	Very high	122 Å²	122	60.9 Å²	60.9	57%	0.565	35%	0.347	S	S	*	.	S	Bend	trans	-130.4	128.5	-172.3	-62.5	-56.9	0	0	0	112.1	G61 S62	G61-H65 WeakPolarHBondContact CA-O 3.35Å; S62-H65 PolarHBondContact N-O 2.79Å; S62-H65 PolarHBondContact O-N 3.03Å; S62-H65 PolarHBondContact OG-N 3.4Å; S62-H65 VanDerWaalsContact OG-N 3.12Å
66	A	87.3	Confident	90.5	Very high	26 Å²	26	56.5 Å²	56.5	22%	0.215	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.3	170.9	0	0	0	0	0	110.8	D24 A25 Q26 F68	D24-A66 HydrophobicContact CB-CB 4.24Å; A25-A66 WeakPolarHBondContact O-CB 3.35Å; Q26-A66 HydrophobicContact CG-CB 4.12Å; A66-F68 WeakPolarHBondContact O-CD2 3.37Å; A66-F68 WeakPolarHBondContact O-CE2 3.42Å; A66-F68 PolarHBondContact O-N 2.84Å
67	P	88.9	Confident	90.5	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.039	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-62.5	117.2	168.3	23.2	-32	0	0	0	110.3	D24 A25 L33 A59	D24-P67 VanDerWaalsContact CA-O 3.23Å; D24-P67 WeakPolarHBondContact CA-O 3.02Å; D24-P67 VanDerWaalsContact CB-O 3.27Å; D24-P67 WeakPolarHBondContact CB-O 3.28Å; A25-P67 HydrophobicContact CB-CG 4.24Å; A25-P67 PolarHBondContact N-O 2.86Å; A25-P67 WeakPolarHBondContact O-CD 3.21Å; A25-P67 WeakPolarHBondContact O-CG 3.49Å; L33-P67 HydrophobicContact CB-CG 4.4Å; L33-P67 HydrophobicContact CD1-CG 3.6Å; L33-P67 HydrophobicContact CG-CG 4.22Å; A59-P67 HydrophobicContact CB-CB 3.74Å; A59-P67 WeakPolarHBondContact O-CB 3.14Å
68	F	92.9	Very high	90.5	Very high	123 Å²	123	54 Å²	54	54%	0.539	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.2	177	-72.8	-85.5	0	0	0	111.2	T23 D24 H57 A59 A66	T23-F68 WeakPolarHBondContact O-CA 3.32Å; D24-F68 HydrophobicContact CB-CD1 3.87Å; D24-F68 HydrophobicContact CB-CE1 4.13Å; D24-F68 HydrophobicContact CB-CG 4.36Å; H57-F68 PolarHBondContact NE2-O 3.38Å; A59-F68 WeakPolarHBondContact CB-O 3.09Å; A66-F68 WeakPolarHBondContact O-CD2 3.37Å; A66-F68 WeakPolarHBondContact O-CE2 3.42Å; A66-F68 PolarHBondContact O-N 2.84Å
69	F	94.2	Very high	90.4	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-36.5	178.4	-55.3	-57.2	0	0	0	113	I22 T23 A25 L33 C35 T56 H57 A59 H71	I22-F69 HydrophobicContact CG2-CD2 3.93Å; T23-F69 PolarHBondContact O-N 2.9Å; A25-F69 HydrophobicContact CB-CE2 3.55Å; A25-F69 HydrophobicContact CB-CZ 3.87Å; L33-F69 HydrophobicContact CB-CE1 4.2Å; L33-F69 HydrophobicContact CB-CZ 3.92Å; L33-F69 WeakPolarHBondContact O-CE1 3.25Å; C35-F69 HydrophobicContact CB-CE2 4.31Å; T56-F69 HydrophobicContact CG2-CB 3.9Å; T56-F69 HydrophobicContact CG2-CD1 4.34Å; T56-F69 HydrophobicContact CG2-CD2 4.5Å; T56-F69 HydrophobicContact CG2-CG 4.01Å; T56-F69 WeakPolarHBondContact OG1-CD1 3.32Å; H57-F69 PolarHBondContact CE1-O 2.62Å; H57-F69 PolarHBondContact ND1-O 3.17Å; A59-F69 HydrophobicContact CB-CD1 3.8Å; A59-F69 HydrophobicContact CB-CE1 3.84Å; F69-H71 HydrophobicContact CB-CB 4.38Å; F69-H71 PolarHBondContact O-N 2.86Å
70	A	93.5	Very high	90	Very high	61 Å²	61	60.2 Å²	60.2	50%	0.504	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	41.3	41.7	-175.4	0	0	0	0	0	113.2	I22 T23	I22-A70 WeakPolarHBondContact O-CA 3.44Å; I22-A70 PolarHBondContact O-N 2.68Å; T23-A70 PolarHBondContact O-N 2.86Å
71	H	96	Very high	89.7	Confident	34 Å²	34	57.9 Å²	57.9	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	-171	177.8	78.2	0	0	0	110.2	E21 I22 W37 Q55 T56 F69	E21-H71 CarbonylContact C-O 3.6Å; E21-H71 WeakPolarHBondContact CA-O 3.44Å; E21-H71 WeakPolarHBondContact CB-O 3.38Å; I22-H71 HydrophobicContact CB-CB 4.35Å; I22-H71 PolarHBondContact N-O 2.92Å; I22-H71 PolarHBondContact O-N 2.88Å; W37-H71 AromaticContact CD1-CD2 3.77Å; W37-H71 AromaticContact CD1-NE2 3.72Å; W37-H71 AromaticContact NE1-CD2 3.32Å; W37-H71 PolarHBondContact NE1-CD2 2.91Å; W37-H71 VanDerWaalsContact NE1-CD2 3.32Å; W37-H71 AromaticContact NE1-NE2 3.01Å; W37-H71 PolarHBondContact NE1-NE2 3.25Å; Q55-H71 PolarHBondContact O-CE1 3.17Å; Q55-H71 PolarHBondContact O-ND1 2.99Å; T56-H71 HydrophobicContact CG2-CB 3.5Å; F69-H71 HydrophobicContact CB-CB 4.38Å; F69-H71 PolarHBondContact O-N 2.86Å
72	P	96.7	Very high	89.9	Confident	93 Å²	93	61.7 Å²	61.7	60%	0.604	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.6	-173.1	28.3	-35.4	0	0	0	112.1	G20	G20-P72 CarbonylContact O-C 3.52Å; G20-P72 WeakPolarHBondContact O-CA 3.27Å
73	I	96.7	Very high	90.2	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.9	168.7	-66.6	175.8	0	0	0	107	I19 G20 I22 W37 I75 I88 L171 L173	I19-I73 CarbonylContact C-O 3.57Å; I19-I73 VanDerWaalsContact CA-O 3.32Å; I19-I73 WeakPolarHBondContact CA-O 3.44Å; G20-I73 PolarHBondContact N-O 2.78Å; G20-I73 PolarHBondContact O-N 3.45Å; I22-I73 HydrophobicContact CD1-CD1 4.3Å; I22-I73 HydrophobicContact CG1-CD1 3.61Å; I22-I73 HydrophobicContact CG1-CG1 4.16Å; W37-I73 HydrophobicContact CH2-CG2 4.34Å; W37-I73 HydrophobicContact CZ2-CG1 4.29Å; I73-I75 HydrophobicContact CG2-CD1 3.64Å; I73-I75 HydrophobicContact CG2-CG1 3.93Å; I73-I88 HydrophobicContact CD1-CD1 4.37Å; I73-L171 HydrophobicContact CD1-CD2 3.87Å; I73-L173 HydrophobicContact CD1-CD2 4.01Å
74	D	97.3	Very high	91	Very high	83 Å²	83	62.5 Å²	62.5	44%	0.444	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.5	171.6	-176.2	-1.2	0	0	0	108.4	V18 G50 S51	V18-D74 WeakPolarHBondContact O-CA 2.92Å; G50-D74 CarbonylContact C-O 3.51Å; G50-D74 VanDerWaalsContact CA-O 3.31Å; G50-D74 WeakPolarHBondContact CA-O 3.27Å; S51-D74 PolarHBondContact N-O 3.39Å
75	I	97.3	Very high	91.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.9	-175.3	-59.9	166.2	0	0	0	107.7	H17 V18 W37 L39 L47 S51 I73 L77	H17-I75 CarbonylContact C-O 3.49Å; H17-I75 WeakPolarHBondContact CA-O 3.33Å; V18-I75 HydrophobicContact CB-CB 4.18Å; V18-I75 PolarHBondContact N-O 2.87Å; V18-I75 PolarHBondContact O-N 3.05Å; W37-I75 HydrophobicContact CH2-CD1 4.13Å; W37-I75 HydrophobicContact CH2-CG1 4.09Å; W37-I75 HydrophobicContact CZ3-CD1 3.84Å; W37-I75 HydrophobicContact CZ3-CG1 4.24Å; L39-I75 HydrophobicContact CD1-CD1 4.05Å; L39-I75 HydrophobicContact CD2-CD1 4.19Å; L39-I75 HydrophobicContact CD2-CG1 4.36Å; L39-I75 HydrophobicContact CD2-CG2 3.45Å; L39-I75 VanDerWaalsContact CD2-CG2 3.45Å; L47-I75 HydrophobicContact CD1-CG2 3.91Å; S51-I75 WeakPolarHBondContact O-CG1 3.48Å; I73-I75 HydrophobicContact CG2-CD1 3.64Å; I73-I75 HydrophobicContact CG2-CG1 3.93Å; I75-L77 HydrophobicContact CG2-CD1 3.86Å; I75-L77 HydrophobicContact CG2-CD2 4.45Å; I75-L77 HydrophobicContact CG2-CG 3.73Å
76	H	96.8	Very high	92.3	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113	171.1	-178.6	-174.3	0	0	0	109.4	E15 H17 L48 A49	E15-H76 IonicContact OE2-CE1 3.76Å; E15-H76 IonicContact OE2-NE2 3.23Å; E15-H76 PolarHBondContact OE2-NE2 2.87Å; H17-H76 AromaticContact CD2-CD2 3.62Å; H17-H76 AromaticContact CD2-NE2 3.66Å; H17-H76 AromaticContact CE1-CD2 3.36Å; H17-H76 PolarHBondContact CE1-CD2 2.83Å; H17-H76 AromaticContact CE1-CE1 3.07Å; H17-H76 PolarHBondContact CE1-CE1 2.76Å; H17-H76 AromaticContact CE1-CG 3.36Å; H17-H76 AromaticContact CE1-ND1 3.22Å; H17-H76 PolarHBondContact CE1-ND1 2.83Å; H17-H76 AromaticContact CE1-NE2 3.2Å; H17-H76 PolarHBondContact CE1-NE2 3.25Å; H17-H76 AromaticContact CG-CD2 3.83Å; H17-H76 AromaticContact ND1-CD2 3.66Å; H17-H76 AromaticContact ND1-CG 3.54Å; H17-H76 AromaticContact ND1-ND1 3.81Å; H17-H76 AromaticContact ND1-NE2 3.98Å; H17-H76 AromaticContact NE2-CD2 3.33Å; H17-H76 PolarHBondContact NE2-CD2 2.81Å; H17-H76 VanDerWaalsContact NE2-CD2 3.33Å; H17-H76 AromaticContact NE2-CE1 3.25Å; H17-H76 PolarHBondContact NE2-CE1 3.02Å; H17-H76 VanDerWaalsContact NE2-CE1 3.25Å; H17-H76 AromaticContact NE2-CG 3.84Å; H17-H76 AromaticContact NE2-ND1 3.83Å; H17-H76 AromaticContact NE2-NE2 2.95Å; H17-H76 PolarHBondContact NE2-NE2 3.43Å; L48-H76 WeakPolarHBondContact CD2-CE1 3.26Å; L48-H76 PolarHBondContact N-O 2.87Å; A49-H76 HydrophobicContact CB-CB 3.97Å; A49-H76 PolarHBondContact N-O 3.39Å; A49-H76 WeakPolarHBondContact O-CB 3.27Å; A49-H76 PolarHBondContact O-N 3.12Å
77	L	95.4	Very high	92.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.8	179.2	-67.4	161.7	0	0	0	110.7	E15 V16 L39 Y41 W45 R46 L47 I75 P86	E15-L77 CarbonylContact C-O 3.55Å; E15-L77 VanDerWaalsContact CA-O 3.24Å; E15-L77 WeakPolarHBondContact CA-O 3.48Å; V16-L77 PolarHBondContact N-O 2.71Å; V16-L77 PolarHBondContact O-N 3.32Å; L39-L77 HydrophobicContact CD2-CD1 4.25Å; L39-L77 HydrophobicContact CD2-CD2 4.05Å; L39-L77 HydrophobicContact CD2-CG 4.43Å; Y41-L77 HydrophobicContact CD1-CD2 3.78Å; Y41-L77 HydrophobicContact CE1-CD2 3.81Å; W45-L77 HydrophobicContact CE3-CB 3.97Å; W45-L77 HydrophobicContact CE3-CD1 4.19Å; W45-L77 HydrophobicContact CZ3-CB 4.29Å; R46-L77 WeakPolarHBondContact O-CA 3.23Å; L47-L77 HydrophobicContact CB-CD2 4.3Å; L47-L77 HydrophobicContact CD1-CD2 4.11Å; I75-L77 HydrophobicContact CG2-CD1 3.86Å; I75-L77 HydrophobicContact CG2-CD2 4.45Å; I75-L77 HydrophobicContact CG2-CG 3.73Å; L77-P86 HydrophobicContact CD1-CB 3.76Å; L77-P86 HydrophobicContact CD1-CG 3.38Å
78	Y	93.3	Very high	93	Very high	63 Å²	63	52.1 Å²	52.1	25%	0.247	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.9	160.7	76.7	-90.2	0	0	0	110.2	M13 A14 R46 L48	M13-Y78 HydrophobicContact CB-CD2 4.35Å; M13-Y78 HydrophobicContact CE-CD2 3.47Å; M13-Y78 VanDerWaalsContact CE-CD2 3.47Å; M13-Y78 HydrophobicContact CE-CE2 3.52Å; M13-Y78 HydrophobicContact SD-CD2 3.54Å; M13-Y78 VanDerWaalsContact SD-CD2 3.54Å; M13-Y78 HydrophobicContact SD-CE2 3.65Å; M13-Y78 HydrophobicContact SD-CG 4.48Å; A14-Y78 CarbonylContact O-C 3.55Å; A14-Y78 VanDerWaalsContact O-CA 3.24Å; A14-Y78 WeakPolarHBondContact O-CA 3.49Å; R46-Y78 HydrophobicContact CB-CD1 3.87Å; R46-Y78 HydrophobicContact CB-CD2 4.5Å; R46-Y78 HydrophobicContact CB-CE1 3.29Å; R46-Y78 HydrophobicContact CB-CE2 3.98Å; R46-Y78 HydrophobicContact CB-CG 4.46Å; R46-Y78 HydrophobicContact CG-CE1 4.19Å; R46-Y78 HydrophobicContact CG-CE2 4.22Å; R46-Y78 PolarHBondContact N-O 2.88Å; R46-Y78 PolarHBondContact O-N 2.9Å; L48-Y78 HydrophobicContact CB-CD1 4.04Å; L48-Y78 HydrophobicContact CD1-CD1 3.86Å; L48-Y78 HydrophobicContact CD1-CE1 4.05Å; L48-Y78 HydrophobicContact CG-CD1 4.42Å
79	T	91.6	Very high	93.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.1	-179.4	-168.3	0	0	0	0	112.9	A14 G44 W45 S81 F180	A14-T79 HydrophobicContact CB-CG2 3.88Å; A14-T79 PolarHBondContact N-O 2.98Å; A14-T79 PolarHBondContact O-N 3.42Å; G44-T79 WeakPolarHBondContact O-CA 3.5Å; G44-T79 PolarHBondContact O-OG1 2.85Å; G44-T79 VanDerWaalsContact O-OG1 3.06Å; W45-T79 HydrophobicContact CD2-CG2 4.32Å; W45-T79 HydrophobicContact CE3-CG2 4.1Å; W45-T79 HydrophobicContact CH2-CG2 3.66Å; W45-T79 HydrophobicContact CZ2-CG2 3.86Å; W45-T79 HydrophobicContact CZ3-CG2 3.78Å; T79-S81 PolarHBondContact OG1-N 3.05Å; T79-S81 PolarHBondContact OG1-O 2.8Å; T79-F180 HydrophobicContact CG2-CZ 4.22Å
80	R	84.4	Confident	93.1	Very high	196 Å²	196	47 Å²	47	74%	0.74	25%	0.245	S	C	*	.	S	Bend	trans	-107.3	-3	165.2	-63.9	-176.2	-177.8	163.4	5.5	112.5	M13 G44	M13-R80 HydrophobicContact CE-CG 3.16Å; G44-R80 PolarHBondContact O-N 2.79Å
81	S	84.6	Confident	93.2	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	23%	0.231	S	C	.	.			trans	-155.9	144.8	-173.7	-175.9	0	0	0	0	111.7	W45 T79 Q83	W45-S81 PolarHBondContact NE1-O 3.26Å; T79-S81 PolarHBondContact OG1-N 3.05Å; T79-S81 PolarHBondContact OG1-O 2.8Å; S81-Q83 PolarHBondContact O-N 3.28Å; S81-Q83 WeakPolarHBondContact OG-CB 3.47Å; S81-Q83 PolarHBondContact OG-N 3.06Å
82	I	85.4	Confident	93.1	Very high	94 Å²	94	44.6 Å²	44.6	48%	0.482	22%	0.224	S	C	.	.	S	Bend	trans	-71.9	-15.1	170.8	60.7	171.1	0	0	0	113.1	I185	I82-I185 HydrophobicContact CG2-CD1 3.32Å; I82-I185 HydrophobicContact CG2-CG1 3.72Å; I82-I185 HydrophobicContact CG2-CG2 3.96Å
83	Q	87.7	Confident	92.9	Very high	152 Å²	152	42.1 Å²	42.1	71%	0.71	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	136.8	-177.1	-66.7	-177.5	1.7	0	0	111.5	W45 S81	W45-Q83 VanDerWaalsContact CD1-O 3.3Å; W45-Q83 PolarHBondContact NE1-O 2.93Å; S81-Q83 PolarHBondContact O-N 3.28Å; S81-Q83 WeakPolarHBondContact OG-CB 3.47Å; S81-Q83 PolarHBondContact OG-N 3.06Å
84	G	90	Very high	92.6	Very high	42 Å²	42	43.2 Å²	43.2	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	45.7	-179.5	0	0	0	0	0	113.1	G42 W45	G42-G84 PolarHBondContact N-O 3.45Å; W45-G84 VanDerWaalsContact CD1-O 3.26Å; W45-G84 PolarHBondContact NE1-O 2.93Å
85	W	93.1	Very high	92.2	Very high	39 Å²	39	44.4 Å²	44.4	15%	0.148	21%	0.207	C	C	.	.			trans	-45	141.6	178.1	-169.9	-97.4	0	0	0	113.2	V16 W45 V111 T113 M177 F180	V16-W85 HydrophobicContact CG2-CH2 4.12Å; W45-W85 HydrophobicContact CH2-CD2 4.36Å; W45-W85 AromaticContact CH2-CE3 3.62Å; W45-W85 HydrophobicContact CH2-CE3 3.62Å; W45-W85 AromaticContact CH2-CH2 3.87Å; W45-W85 HydrophobicContact CH2-CH2 3.87Å; W45-W85 AromaticContact CH2-CZ3 3.34Å; W45-W85 HydrophobicContact CH2-CZ3 3.34Å; W45-W85 HydrophobicContact CZ2-CD2 4.15Å; W45-W85 AromaticContact CZ2-CE3 3.33Å; W45-W85 HydrophobicContact CZ2-CE3 3.33Å; W45-W85 HydrophobicContact CZ2-CH2 4.44Å; W45-W85 AromaticContact CZ2-CZ3 3.52Å; W45-W85 HydrophobicContact CZ2-CZ3 3.52Å; W85-V111 PolarHBondContact NE1-O 3.32Å; W85-T113 HydrophobicContact CD2-CG2 4.09Å; W85-T113 HydrophobicContact CG-CG2 4.46Å; W85-T113 HydrophobicContact CZ2-CG2 4.01Å; W85-M177 HydrophobicContact CH2-CE 3.69Å; W85-M177 HydrophobicContact CZ2-CE 3.94Å; W85-F180 HydrophobicContact CH2-CE1 4.45Å; W85-F180 HydrophobicContact CH2-CZ 4.37Å; W85-F180 HydrophobicContact CZ3-CE1 4.16Å; W85-F180 HydrophobicContact CZ3-CZ 4.32Å
86	P	94.7	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.			trans	-60.1	143.3	-176.6	-23	34.4	0	0	0	113.7	L39 K40 W45 L77 V111	L39-P86 HydrophobicContact CD1-CB 4.05Å; K40-P86 CarbonylContact O-C 3.57Å; K40-P86 WeakPolarHBondContact O-CA 3.49Å; W45-P86 HydrophobicContact CD2-CG 3.85Å; W45-P86 HydrophobicContact CE3-CG 3.64Å; W45-P86 HydrophobicContact CH2-CG 4.22Å; W45-P86 HydrophobicContact CZ2-CG 4.43Å; W45-P86 HydrophobicContact CZ3-CG 3.83Å; L77-P86 HydrophobicContact CD1-CB 3.76Å; L77-P86 HydrophobicContact CD1-CG 3.38Å; P86-V111 HydrophobicContact CB-CB 4.27Å; P86-V111 HydrophobicContact CB-CG2 3.86Å; P86-V111 PolarHBondContact O-N 2.8Å
87	K	95.2	Very high	90.6	Very high	49 Å²	49	50.4 Å²	50.4	21%	0.213	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.3	176.7	-49	-174.4	-165.6	-173.2	0	109.4	K40 F108 C109 H110 C153	K40-K87 PolarHBondContact N-O 3.47Å; K40-K87 PolarHBondContact O-N 3.43Å; K87-F108 HydrophobicContact CD-CD2 4.03Å; K87-F108 HydrophobicContact CD-CE2 4.2Å; K87-C109 CarbonylContact C-O 3.55Å; K87-C109 WeakPolarHBondContact CA-O 3.35Å; K87-H110 WeakPolarHBondContact CE-CE1 3.46Å; K87-C153 PolarHBondContact NZ-O 2.85Å
88	I	95.7	Very high	89.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.2	171.1	-59.8	170.5	0	0	0	106.7	W37 I73 L90 F108 C109 V111 L171 L173	W37-I88 HydrophobicContact CB-CG2 4.31Å; W37-I88 HydrophobicContact CE3-CG2 4.39Å; I73-I88 HydrophobicContact CD1-CD1 4.37Å; I88-L90 HydrophobicContact CG2-CD2 3.8Å; I88-L90 HydrophobicContact CG2-CG 4.34Å; I88-F108 CarbonylContact O-C 3.48Å; I88-F108 WeakPolarHBondContact O-CA 3.08Å; I88-F108 WeakPolarHBondContact O-CB 3.23Å; I88-C109 PolarHBondContact N-O 2.88Å; I88-C109 PolarHBondContact O-N 3.05Å; I88-V111 HydrophobicContact CD1-CG2 4.28Å; I88-V111 HydrophobicContact CG1-CG2 4.15Å; I88-L171 HydrophobicContact CG2-CD2 4.44Å; I88-L173 HydrophobicContact CD1-CD1 3.87Å; I88-L173 HydrophobicContact CD1-CD2 4.31Å
89	E	95.3	Very high	89.4	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134	171.6	-178.7	175.2	-94.6	0	0	108.9	W37 S38 K40 V152 C153	W37-E89 CarbonylContact C-O 3.49Å; W37-E89 WeakPolarHBondContact CA-O 3.35Å; S38-E89 PolarHBondContact N-O 2.81Å; S38-E89 PolarHBondContact O-N 2.85Å; S38-E89 PolarHBondContact OG-OE2 2.88Å; K40-E89 WeakPolarHBondContact CE-OE2 3.38Å; K40-E89 HydrophobicContact CG-CB 4.28Å; K40-E89 IonicContact NZ-OE2 3.45Å; K40-E89 PolarHBondContact NZ-OE2 3.21Å; E89-V152 HydrophobicContact CG-CB 4.4Å; E89-V152 HydrophobicContact CG-CG1 4.08Å; E89-V152 WeakPolarHBondContact OE1-CB 3.45Å; E89-C153 PolarHBondContact OE1-SG 2.87Å
90	L	95.1	Very high	89	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.5	-179.5	-60.4	-179.4	0	0	0	109.9	I22 S36 W37 I88 Y106 G107 C122 V169 L171	I22-L90 HydrophobicContact CD1-CD2 4.11Å; S36-L90 CarbonylContact O-C 3.58Å; S36-L90 WeakPolarHBondContact O-CA 3.49Å; W37-L90 HydrophobicContact CB-CD2 3.44Å; W37-L90 VanDerWaalsContact CB-CD2 3.44Å; I88-L90 HydrophobicContact CG2-CD2 3.8Å; I88-L90 HydrophobicContact CG2-CG 4.34Å; L90-Y106 CarbonylContact O-C 3.54Å; L90-Y106 WeakPolarHBondContact O-CA 3.37Å; L90-G107 PolarHBondContact N-O 3.35Å; L90-G107 PolarHBondContact O-N 3.16Å; L90-G107 VanDerWaalsContact O-O 3.13Å; L90-C122 HydrophobicContact CD1-CB 3.7Å; L90-V169 HydrophobicContact CD1-CB 3.89Å; L90-V169 HydrophobicContact CD1-CG1 3.85Å; L90-V169 HydrophobicContact CD1-CG2 4.4Å; L90-L171 HydrophobicContact CD1-CD1 3.94Å; L90-L171 HydrophobicContact CD1-CD2 4.38Å
91	Q	94.3	Very high	89.2	Confident	45 Å²	45	54.8 Å²	54.8	21%	0.21	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.7	170	-170.8	-179.7	21.3	0	0	108.4	C35 S36 W93 Y106	C35-Q91 WeakPolarHBondContact CA-O 3.17Å; S36-Q91 PolarHBondContact N-O 3.24Å; S36-Q91 PolarHBondContact O-N 3.27Å; Q91-W93 VanDerWaalsContact CD-NE1 3.32Å; Q91-W93 HydrophobicContact CG-CZ2 4.16Å; Q91-W93 VanDerWaalsContact OE1-CZ2 3.29Å; Q91-Y106 HydrophobicContact CB-CD1 4.33Å; Q91-Y106 HydrophobicContact CG-CD1 3.85Å; Q91-Y106 HydrophobicContact CG-CE1 3.7Å; Q91-Y106 PolarHBondContact NE2-OH 3.28Å
92	V	94.2	Very high	89.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.3	178.8	-174.3	0	0	0	0	108.6	F28 L33 A104 G105 V124 V169	F28-V92 HydrophobicContact CD1-CG1 4.37Å; F28-V92 HydrophobicContact CE1-CB 4.24Å; F28-V92 HydrophobicContact CE1-CG1 3.99Å; F28-V92 HydrophobicContact CE2-CG1 4.29Å; F28-V92 HydrophobicContact CZ-CB 4.13Å; F28-V92 HydrophobicContact CZ-CG1 3.94Å; F28-V92 HydrophobicContact CZ-CG2 3.97Å; L33-V92 HydrophobicContact CD1-CG1 4.47Å; L33-V92 HydrophobicContact CD2-CG1 4.42Å; V92-A104 HydrophobicContact CB-CB 4.16Å; V92-A104 HydrophobicContact CG1-CB 3.95Å; V92-A104 WeakPolarHBondContact O-CA 3.39Å; V92-A104 VanDerWaalsContact O-CB 3.31Å; V92-A104 WeakPolarHBondContact O-CB 3.26Å; V92-A104 PolarHBondContact O-N 2.76Å; V92-G105 PolarHBondContact N-O 2.82Å; V92-G105 PolarHBondContact O-N 2.78Å; V92-V124 HydrophobicContact CB-CG1 4.47Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V92-V124 HydrophobicContact CG2-CG2 3.94Å; V92-V169 HydrophobicContact CG2-CG2 3.6Å
93	W	93	Very high	89.5	Confident	42 Å²	42	50.1 Å²	50.1	16%	0.159	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.3	179.3	-63	87.2	0	0	0	109.7	L33 F34 Q91 A101 Q102	L33-W93 VanDerWaalsContact CA-O 3.23Å; L33-W93 WeakPolarHBondContact CA-O 3.39Å; L33-W93 WeakPolarHBondContact CD2-O 3.32Å; F34-W93 HydrophobicContact CD1-CB 3.83Å; F34-W93 HydrophobicContact CD2-CB 3.86Å; F34-W93 AromaticContact CD2-CD1 3.86Å; F34-W93 HydrophobicContact CD2-CG 4.05Å; F34-W93 HydrophobicContact CE1-CB 3.4Å; F34-W93 HydrophobicContact CE1-CG 4.15Å; F34-W93 HydrophobicContact CE2-CB 3.41Å; F34-W93 VanDerWaalsContact CE2-CB 3.41Å; F34-W93 AromaticContact CE2-CD1 3.32Å; F34-W93 HydrophobicContact CE2-CD2 4.13Å; F34-W93 AromaticContact CE2-CG 3.33Å; F34-W93 HydrophobicContact CE2-CG 3.33Å; F34-W93 HydrophobicContact CG-CB 4.05Å; F34-W93 HydrophobicContact CZ-CB 3.18Å; F34-W93 AromaticContact CZ-CD1 3.91Å; F34-W93 AromaticContact CZ-CD2 4Å; F34-W93 HydrophobicContact CZ-CD2 4Å; F34-W93 AromaticContact CZ-CG 3.41Å; F34-W93 HydrophobicContact CZ-CG 3.41Å; F34-W93 VanDerWaalsContact CZ-CG 3.41Å; F34-W93 PolarHBondContact N-O 2.83Å; F34-W93 PolarHBondContact O-N 2.75Å; Q91-W93 VanDerWaalsContact CD-NE1 3.32Å; Q91-W93 HydrophobicContact CG-CZ2 4.16Å; Q91-W93 VanDerWaalsContact OE1-CZ2 3.29Å; W93-A101 HydrophobicContact CE3-CB 4.15Å; W93-Q102 CarbonylContact C-O 3.47Å; W93-Q102 VanDerWaalsContact CA-O 3.32Å; W93-Q102 WeakPolarHBondContact CA-O 3.49Å
94	N	90.4	Very high	89.6	Confident	25 Å²	25	43.2 Å²	43.2	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	171.7	177.2	-14.3	0	0	0	108.2	N31 E32 L33 A101 Q102 A104	N31-N94 WeakPolarHBondContact CB-ND2 3.5Å; N31-N94 WeakPolarHBondContact CB-OD1 3.27Å; N31-N94 PolarHBondContact ND2-ND2 2.79Å; N31-N94 PolarHBondContact OD1-ND2 2.79Å; N31-N94 VanDerWaalsContact OD1-ND2 3.09Å; E32-N94 CarbonylContact O-C 3.55Å; E32-N94 WeakPolarHBondContact O-CA 3.22Å; L33-N94 HydrophobicContact CD2-CB 4Å; N94-A101 CarbonylContact O-C 3.48Å; N94-A101 WeakPolarHBondContact O-CA 3.46Å; N94-Q102 PolarHBondContact N-O 2.82Å; N94-Q102 PolarHBondContact O-N 2.89Å; N94-A104 HydrophobicContact CB-CB 4.3Å
95	R	88.6	Confident	89.7	Confident	108 Å²	108	41.2 Å²	41.2	41%	0.408	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	170.9	-165.6	178.5	-167.7	-165	0	109.6	E32 G99 R100	E32-R95 HydrophobicContact CB-CB 3.96Å; E32-R95 PolarHBondContact O-N 3.05Å; R95-G99 PolarHBondContact NE-O 2.86Å; R95-R100 WeakPolarHBondContact CA-O 3.08Å
96	D	82	Confident	89.7	Confident	33 Å²	33	39.7 Å²	39.7	18%	0.176	22%	0.219	C	C	.	.			trans	-75.3	170.1	176.8	66.2	27	0	0	0	112.6	V98 G99 R100 Q102	D96-V98 PolarHBondContact O-N 2.84Å; D96-V98 VanDerWaalsContact O-N 3.08Å; D96-V98 WeakPolarHBondContact OD1-CA 3.23Å; D96-V98 PolarHBondContact OD1-N 2.87Å; D96-G99 WeakPolarHBondContact O-CA 3.11Å; D96-G99 PolarHBondContact O-N 2.85Å; D96-G99 PolarHBondContact OD1-N 2.9Å; D96-R100 PolarHBondContact N-O 2.89Å; D96-R100 PolarHBondContact OD1-N 2.8Å; D96-R100 WeakPolarHBondContact OD2-CB 3.39Å; D96-Q102 PolarHBondContact OD2-NE2 3.2Å
97	A	78.8	Confident	89.6	Confident	115 Å²	115	39.7 Å²	39.7	95%	0.95	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.8	179	0	0	0	0	0	114.1	G99	A97-G99 VanDerWaalsContact C-N 3.32Å
98	V	81	Confident	89.6	Confident	114 Å²	114	40 Å²	40	69%	0.691	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.7	175.9	-169.4	0	0	0	0	110.9	D96	D96-V98 PolarHBondContact O-N 2.84Å; D96-V98 VanDerWaalsContact O-N 3.08Å; D96-V98 WeakPolarHBondContact OD1-CA 3.23Å; D96-V98 PolarHBondContact OD1-N 2.87Å
99	G	81.6	Confident	89.6	Confident	31 Å²	31	40.4 Å²	40.4	32%	0.32	22%	0.224	S	C	.	.	S	Bend	trans	86	7.9	177.4	0	0	0	0	0	114.7	R95 D96 A97	R95-G99 PolarHBondContact NE-O 2.86Å; D96-G99 WeakPolarHBondContact O-CA 3.11Å; D96-G99 PolarHBondContact O-N 2.85Å; D96-G99 PolarHBondContact OD1-N 2.9Å; A97-G99 VanDerWaalsContact C-N 3.32Å
100	R	84.7	Confident	89.5	Confident	156 Å²	156	44.4 Å²	44.4	59%	0.589	24%	0.242	S	C	*	.			trans	-81	139.9	179.2	-50.4	174.1	172	175.3	-2.1	110.3	R95 D96	R95-R100 WeakPolarHBondContact CA-O 3.08Å; D96-R100 PolarHBondContact N-O 2.89Å; D96-R100 PolarHBondContact OD1-N 2.8Å; D96-R100 WeakPolarHBondContact OD2-CB 3.39Å
101	A	87.6	Confident	89.5	Confident	52 Å²	52	44.4 Å²	44.4	43%	0.43	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.5	175.3	0	0	0	0	0	111	F34 W93 N94	F34-A101 HydrophobicContact CE1-CB 3.88Å; F34-A101 HydrophobicContact CZ-CB 3.8Å; W93-A101 HydrophobicContact CE3-CB 4.15Å; N94-A101 CarbonylContact O-C 3.48Å; N94-A101 WeakPolarHBondContact O-CA 3.46Å
102	Q	87.3	Confident	89.6	Confident	31 Å²	31	43 Å²	43	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.1	178.8	-56.7	175.1	21.7	0	0	109.4	W93 N94 D96 A104 G141	W93-Q102 CarbonylContact C-O 3.47Å; W93-Q102 VanDerWaalsContact CA-O 3.32Å; W93-Q102 WeakPolarHBondContact CA-O 3.49Å; N94-Q102 PolarHBondContact N-O 2.82Å; N94-Q102 PolarHBondContact O-N 2.89Å; D96-Q102 PolarHBondContact OD2-NE2 3.2Å; Q102-A104 PolarHBondContact O-N 3.22Å; Q102-A104 VanDerWaalsContact O-N 3.15Å; Q102-G141 VanDerWaalsContact CG-O 3.26Å; Q102-G141 WeakPolarHBondContact CG-O 3.47Å; Q102-G141 PolarHBondContact OE1-O 3.15Å
103	S	89.3	Confident	89.5	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112.6	-179.2	-177.3	0	0	0	0	109.3	Y106 S143	S103-Y106 WeakPolarHBondContact OG-CE2 3.15Å; S103-Y106 PolarHBondContact OG-OH 3.38Å; S103-S143 PolarHBondContact N-OG 3.11Å; S103-S143 VanDerWaalsContact N-OG 3.13Å; S103-S143 WeakPolarHBondContact O-CB 3.31Å
104	A	90.2	Very high	89.4	Confident	7 Å²	7	50.4 Å²	50.4	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-42.2	174.5	0	0	0	0	0	110.4	F28 V92 N94 Q102	F28-A104 HydrophobicContact CD1-CB 4.01Å; F28-A104 HydrophobicContact CE1-CB 4.08Å; V92-A104 HydrophobicContact CB-CB 4.16Å; V92-A104 HydrophobicContact CG1-CB 3.95Å; V92-A104 WeakPolarHBondContact O-CA 3.39Å; V92-A104 VanDerWaalsContact O-CB 3.31Å; V92-A104 WeakPolarHBondContact O-CB 3.26Å; V92-A104 PolarHBondContact O-N 2.76Å; N94-A104 HydrophobicContact CB-CB 4.3Å; Q102-A104 PolarHBondContact O-N 3.22Å; Q102-A104 VanDerWaalsContact O-N 3.15Å
105	G	91.7	Very high	89.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-177.3	174.3	0	0	0	0	0	113.3	V92 V124 W125	V92-G105 PolarHBondContact N-O 2.82Å; V92-G105 PolarHBondContact O-N 2.78Å; G105-V124 VanDerWaalsContact C-CG1 3.45Å; G105-W125 CarbonylContact C-O 3.56Å; G105-W125 VanDerWaalsContact CA-O 3.28Å; G105-W125 WeakPolarHBondContact CA-O 3.4Å
106	Y	93.1	Very high	89.9	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.9	-177.6	-54	-94.8	0	0	0	109.4	L90 Q91 S103 V124 W125 L146 V152	L90-Y106 CarbonylContact O-C 3.54Å; L90-Y106 WeakPolarHBondContact O-CA 3.37Å; Q91-Y106 HydrophobicContact CB-CD1 4.33Å; Q91-Y106 HydrophobicContact CG-CD1 3.85Å; Q91-Y106 HydrophobicContact CG-CE1 3.7Å; Q91-Y106 PolarHBondContact NE2-OH 3.28Å; S103-Y106 WeakPolarHBondContact OG-CE2 3.15Å; S103-Y106 PolarHBondContact OG-OH 3.38Å; Y106-V124 CarbonylContact O-C 3.48Å; Y106-V124 WeakPolarHBondContact O-CA 3.29Å; Y106-W125 PolarHBondContact N-O 3.5Å; Y106-W125 PolarHBondContact O-N 3.4Å; Y106-W125 PolarHBondContact O-NE1 3.1Å; Y106-W125 VanDerWaalsContact O-O 3.06Å; Y106-L146 HydrophobicContact CD1-CD1 4.27Å; Y106-L146 HydrophobicContact CD2-CD1 3.78Å; Y106-L146 HydrophobicContact CD2-CG 4.24Å; Y106-L146 HydrophobicContact CE1-CD1 4.43Å; Y106-L146 HydrophobicContact CE2-CB 4.47Å; Y106-L146 HydrophobicContact CE2-CD1 4.03Å; Y106-L146 HydrophobicContact CE2-CG 4Å; Y106-L146 HydrophobicContact CG-CD1 3.95Å; Y106-L146 PolarHBondContact OH-N 3.14Å; Y106-V152 HydrophobicContact CD1-CG2 3.86Å; Y106-V152 HydrophobicContact CG-CG2 3.93Å
107	G	93.5	Very high	90.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	168	174.4	0	0	0	0	0	109.9	L90	L90-G107 PolarHBondContact N-O 3.35Å; L90-G107 PolarHBondContact O-N 3.16Å; L90-G107 VanDerWaalsContact O-O 3.13Å
108	F	94.4	Very high	91.5	Very high	54 Å²	54	48.2 Å²	48.2	24%	0.237	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.6	164.9	73	-87	0	0	0	109.4	K87 I88 H110 C122 V152	K87-F108 HydrophobicContact CD-CD2 4.03Å; K87-F108 HydrophobicContact CD-CE2 4.2Å; I88-F108 CarbonylContact O-C 3.48Å; I88-F108 WeakPolarHBondContact O-CA 3.08Å; I88-F108 WeakPolarHBondContact O-CB 3.23Å; F108-H110 AromaticContact CE2-CD2 3.97Å; F108-H110 AromaticContact CE2-NE2 3.66Å; F108-C122 PolarHBondContact N-SG 2.97Å; F108-C122 VanDerWaalsContact N-SG 3.38Å; F108-V152 HydrophobicContact CD1-CG1 4.23Å; F108-V152 WeakPolarHBondContact CD1-O 3.2Å; F108-V152 WeakPolarHBondContact CE1-O 3.16Å
109	C	94.9	Very high	92.3	Very high	10 Å²	10	50.1 Å²	50.1	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.5	168.9	57.9	0	0	0	0	109.9	K87 I88 V120 C122	K87-C109 CarbonylContact C-O 3.55Å; K87-C109 WeakPolarHBondContact CA-O 3.35Å; I88-C109 PolarHBondContact N-O 2.88Å; I88-C109 PolarHBondContact O-N 3.05Å; C109-V120 HydrophobicContact CB-CG1 3.53Å; C109-C122 HydrophobicContact CB-CB 4.17Å
110	H	94.5	Very high	93	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	144.4	171	-70.6	-96.9	0	0	0	109.3	K87 F108	K87-H110 WeakPolarHBondContact CE-CE1 3.46Å; F108-H110 AromaticContact CE2-CD2 3.97Å; F108-H110 AromaticContact CE2-NE2 3.66Å
111	V	95.3	Very high	93.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.3	137.1	166.1	172.6	0	0	0	0	107.9	V18 W85 P86 I88 V175	V18-V111 HydrophobicContact CG1-CG1 4.37Å; V18-V111 HydrophobicContact CG2-CG1 3.47Å; V18-V111 VanDerWaalsContact CG2-CG1 3.47Å; V18-V111 HydrophobicContact CG2-CG2 4.32Å; W85-V111 PolarHBondContact NE1-O 3.32Å; P86-V111 HydrophobicContact CB-CB 4.27Å; P86-V111 HydrophobicContact CB-CG2 3.86Å; P86-V111 PolarHBondContact O-N 2.8Å; I88-V111 HydrophobicContact CD1-CG2 4.28Å; I88-V111 HydrophobicContact CG1-CG2 4.15Å; V111-V175 HydrophobicContact CG1-CG2 4.19Å
112	P	95.1	Very high	93.9	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.091	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.9	139.8	176.1	-25.2	33.7	0	0	0	112.3	Y114 H118 V120 V175	P112-Y114 HydrophobicContact CB-CE1 4.49Å; P112-H118 HydrophobicContact CB-CB 4.17Å; P112-H118 WeakPolarHBondContact CB-CD2 3.35Å; P112-H118 VanDerWaalsContact CB-CG 3.5Å; P112-H118 HydrophobicContact CG-CB 3.54Å; P112-H118 WeakPolarHBondContact CG-CD2 3.37Å; P112-H118 VanDerWaalsContact CG-CG 3.42Å; P112-V120 HydrophobicContact CG-CG2 3.98Å; P112-V175 HydrophobicContact CB-CG2 4.02Å; P112-V175 HydrophobicContact CG-CG2 4.12Å
113	T	91.8	Very high	94.2	Very high	73 Å²	73	46.7 Å²	46.7	45%	0.448	25%	0.246	S	C	.	.	S	Bend	trans	-90.4	1.9	-174.7	53.8	0	0	0	0	113.8	W85 M177	W85-T113 HydrophobicContact CD2-CG2 4.09Å; W85-T113 HydrophobicContact CG-CG2 4.46Å; W85-T113 HydrophobicContact CZ2-CG2 4.01Å; T113-M177 WeakPolarHBondContact O-CE 3.43Å
114	Y	91.2	Very high	94.4	Very high	125 Å²	125	46.6 Å²	46.6	49%	0.49	25%	0.246	S	C	.	.	S	Bend	trans	-129.5	149	-179.4	57	-76.8	0	0	0	109.9	P112 H118	P112-Y114 HydrophobicContact CB-CE1 4.49Å; Y114-H118 AromaticContact CD2-CE1 3.27Å; Y114-H118 WeakPolarHBondContact CD2-CE1 3.4Å; Y114-H118 AromaticContact CE1-CE1 3.92Å; Y114-H118 AromaticContact CE2-CE1 2.92Å; Y114-H118 WeakPolarHBondContact CE2-CE1 3.39Å; Y114-H118 AromaticContact CE2-ND1 3.33Å; Y114-H118 VanDerWaalsContact CE2-ND1 3.33Å; Y114-H118 WeakPolarHBondContact CE2-ND1 3.32Å; Y114-H118 AromaticContact CG-CE1 3.91Å; Y114-H118 AromaticContact CZ-CE1 3.23Å; Y114-H118 AromaticContact CZ-ND1 3.2Å; Y114-H118 PolarHBondContact O-NE2 3.24Å; Y114-H118 PolarHBondContact OH-ND1 3.38Å
115	P	94.1	Very high	94.5	Very high	74 Å²	74	46.6 Å²	46.6	48%	0.481	24%	0.244	S	C	.	.	S	Bend	trans	-68.2	154.3	179.6	28.7	-34.9	0	0	0	111.6	V175	P115-V175 CarbonylContact C-O 3.59Å; P115-V175 VanDerWaalsContact CA-O 3.22Å; P115-V175 WeakPolarHBondContact CA-O 3.31Å
116	G	95.6	Very high	94.4	Very high	35 Å²	35	48.3 Å²	48.3	36%	0.361	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.3	-171.5	178.8	0	0	0	0	0	113.6	H118 F174 V175	G116-H118 PolarHBondContact O-CD2 2.89Å; G116-H118 VanDerWaalsContact O-CD2 3.25Å; G116-H118 PolarHBondContact O-NE2 3Å; G116-F174 CarbonylContact O-C 3.52Å; G116-F174 WeakPolarHBondContact O-CA 3.3Å; G116-V175 PolarHBondContact N-O 2.82Å; G116-V175 PolarHBondContact O-N 3.34Å
117	E	97.2	Very high	94.1	Very high	116 Å²	116	48.3 Å²	48.3	54%	0.542	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.2	176.4	-175.3	177.6	172.4	0	0	111	C172 F174	E117-C172 PolarHBondContact OE1-SG 2.72Å; E117-F174 HydrophobicContact CB-CD1 3.63Å; E117-F174 HydrophobicContact CB-CE1 3.44Å; E117-F174 VanDerWaalsContact CB-CE1 3.44Å; E117-F174 HydrophobicContact CB-CZ 4.24Å; E117-F174 HydrophobicContact CG-CD1 3.85Å; E117-F174 HydrophobicContact CG-CE1 3.31Å; E117-F174 HydrophobicContact CG-CE2 4.35Å; E117-F174 HydrophobicContact CG-CZ 3.58Å; E117-F174 WeakPolarHBondContact OE2-CE1 3.42Å
118	H	97.6	Very high	93.7	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.1	-178.4	-51.7	-67.7	0	0	0	111.1	P112 Y114 G116 V120 L173	P112-H118 HydrophobicContact CB-CB 4.17Å; P112-H118 WeakPolarHBondContact CB-CD2 3.35Å; P112-H118 VanDerWaalsContact CB-CG 3.5Å; P112-H118 HydrophobicContact CG-CB 3.54Å; P112-H118 WeakPolarHBondContact CG-CD2 3.37Å; P112-H118 VanDerWaalsContact CG-CG 3.42Å; Y114-H118 AromaticContact CD2-CE1 3.27Å; Y114-H118 WeakPolarHBondContact CD2-CE1 3.4Å; Y114-H118 AromaticContact CE1-CE1 3.92Å; Y114-H118 AromaticContact CE2-CE1 2.92Å; Y114-H118 WeakPolarHBondContact CE2-CE1 3.39Å; Y114-H118 AromaticContact CE2-ND1 3.33Å; Y114-H118 VanDerWaalsContact CE2-ND1 3.33Å; Y114-H118 WeakPolarHBondContact CE2-ND1 3.32Å; Y114-H118 AromaticContact CG-CE1 3.91Å; Y114-H118 AromaticContact CZ-CE1 3.23Å; Y114-H118 AromaticContact CZ-ND1 3.2Å; Y114-H118 PolarHBondContact O-NE2 3.24Å; Y114-H118 PolarHBondContact OH-ND1 3.38Å; G116-H118 PolarHBondContact O-CD2 2.89Å; G116-H118 VanDerWaalsContact O-CD2 3.25Å; G116-H118 PolarHBondContact O-NE2 3Å; H118-V120 HydrophobicContact CB-CG2 4.16Å; H118-L173 PolarHBondContact CD2-O 2.9Å; H118-L173 PolarHBondContact N-O 2.79Å; H118-L173 PolarHBondContact O-N 3.14Å
119	Q	97.1	Very high	93.1	Very high	154 Å²	154	50.5 Å²	50.5	72%	0.72	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.9	165.8	-66.5	-173.2	2.6	0	0	109.2
120	V	96.5	Very high	92.6	Very high	22 Å²	22	54.1 Å²	54.1	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.3	-177.4	-178.2	0	0	0	0	109.5	C109 P112 H118 L171 L173	C109-V120 HydrophobicContact CB-CG1 3.53Å; P112-V120 HydrophobicContact CG-CG2 3.98Å; H118-V120 HydrophobicContact CB-CG2 4.16Å; V120-L171 HydrophobicContact CB-CB 4.36Å; V120-L171 PolarHBondContact N-O 3.35Å; V120-L171 PolarHBondContact O-N 2.79Å; V120-L173 HydrophobicContact CG2-CD1 4.02Å; V120-L173 HydrophobicContact CG2-CG 4.43Å
121	H	95.7	Very high	92.1	Very high	102 Å²	102	53.8 Å²	53.8	47%	0.472	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105.2	174.5	-65.4	-84.1	0	0	0	110.1
122	C	95.5	Very high	91.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.6	175	-178.1	0	0	0	0	110.3	L90 F108 C109 R168 V169 L171	L90-C122 HydrophobicContact CD1-CB 3.7Å; F108-C122 PolarHBondContact N-SG 2.97Å; F108-C122 VanDerWaalsContact N-SG 3.38Å; C109-C122 HydrophobicContact CB-CB 4.17Å; C122-R168 CarbonylContact O-C 3.58Å; C122-R168 VanDerWaalsContact O-CA 3.31Å; C122-R168 WeakPolarHBondContact O-CA 3.43Å; C122-V169 PolarHBondContact N-O 3.22Å; C122-V169 PolarHBondContact O-N 2.99Å; C122-L171 HydrophobicContact CB-CD1 3.88Å
123	S	94.3	Very high	91.2	Very high	72 Å²	72	62.4 Å²	62.4	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.1	174.5	-65.5	0	0	0	0	110.7
124	V	93.8	Very high	90.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.3	-177.9	-178.4	0	0	0	0	109.4	F28 V92 G105 Y106 A166 G167 V169	F28-V124 HydrophobicContact CE1-CB 4.3Å; F28-V124 HydrophobicContact CE1-CG1 4Å; F28-V124 HydrophobicContact CZ-CB 3.72Å; F28-V124 HydrophobicContact CZ-CG1 3.82Å; F28-V124 HydrophobicContact CZ-CG2 3.93Å; V92-V124 HydrophobicContact CB-CG1 4.47Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V92-V124 HydrophobicContact CG2-CG2 3.94Å; G105-V124 VanDerWaalsContact C-CG1 3.45Å; Y106-V124 CarbonylContact O-C 3.48Å; Y106-V124 WeakPolarHBondContact O-CA 3.29Å; V124-A166 HydrophobicContact CG1-CB 4.31Å; V124-A166 PolarHBondContact O-N 2.82Å; V124-G167 PolarHBondContact N-O 3.13Å; V124-G167 PolarHBondContact O-N 3.15Å; V124-V169 HydrophobicContact CG2-CG2 3.83Å
125	W	91.2	Very high	90.3	Very high	8 Å²	8	60 Å²	60	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.9	179.7	58.6	-89.6	0	0	0	110	G105 Y106 L146 V152 R158 L161 T163 V164	G105-W125 CarbonylContact C-O 3.56Å; G105-W125 VanDerWaalsContact CA-O 3.28Å; G105-W125 WeakPolarHBondContact CA-O 3.4Å; Y106-W125 PolarHBondContact N-O 3.5Å; Y106-W125 PolarHBondContact O-N 3.4Å; Y106-W125 PolarHBondContact O-NE1 3.1Å; Y106-W125 VanDerWaalsContact O-O 3.06Å; W125-L146 HydrophobicContact CH2-CD1 3.71Å; W125-L146 HydrophobicContact CZ3-CD1 4.07Å; W125-V152 HydrophobicContact CZ2-CB 4.41Å; W125-V152 HydrophobicContact CZ2-CG1 4.25Å; W125-V152 HydrophobicContact CZ2-CG2 4.33Å; W125-R158 HydrophobicContact CH2-CG 4.49Å; W125-R158 HydrophobicContact CZ2-CG 4.34Å; W125-L161 HydrophobicContact CH2-CD1 4.46Å; W125-L161 HydrophobicContact CZ3-CD1 4.47Å; W125-T163 HydrophobicContact CD2-CG2 4.25Å; W125-T163 HydrophobicContact CE3-CG2 3.43Å; W125-T163 VanDerWaalsContact CE3-CG2 3.43Å; W125-T163 HydrophobicContact CZ3-CG2 3.66Å; W125-V164 CarbonylContact C-O 3.53Å; W125-V164 VanDerWaalsContact CA-O 3.31Å; W125-V164 WeakPolarHBondContact CA-O 3.4Å
126	R	89.7	Confident	89.7	Confident	35 Å²	35	60.6 Å²	60.6	13%	0.132	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.9	176.4	67.9	-167.8	-164.3	64.8	-9.1	109.6	L128 E134 R137 T163 V164	R126-L128 PolarHBondContact O-N 2.88Å; R126-E134 IonicContact CZ-OE1 2.98Å; R126-E134 IonicContact CZ-OE2 2.78Å; R126-E134 IonicContact NH1-OE1 3.39Å; R126-E134 PolarHBondContact NH1-OE1 2.8Å; R126-E134 IonicContact NH1-OE2 3.87Å; R126-E134 PolarHBondContact NH1-OE2 3.45Å; R126-E134 VanDerWaalsContact NH1-OE2 3.14Å; R126-E134 IonicContact NH2-OE1 2.89Å; R126-E134 IonicContact NH2-OE2 3.29Å; R126-E134 PolarHBondContact NH2-OE2 2.73Å; R126-R137 VanDerWaalsContact CD-CZ 3.47Å; R126-R137 VanDerWaalsContact CD-NH2 3.32Å; R126-R137 VanDerWaalsContact CZ-CZ 3.48Å; R126-R137 VanDerWaalsContact CZ-NH1 3.28Å; R126-T163 CarbonylContact O-C 3.55Å; R126-T163 VanDerWaalsContact O-CA 3.24Å; R126-T163 WeakPolarHBondContact O-CA 3.4Å; R126-V164 HydrophobicContact CG-CG1 3.38Å; R126-V164 PolarHBondContact N-O 2.77Å; R126-V164 VanDerWaalsContact NE-CG1 3.27Å; R126-V164 PolarHBondContact O-N 3.13Å
127	P	86.8	Confident	89	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.5	168.8	26.6	-33.3	0	0	0	109.6	V144	P127-V144 HydrophobicContact CB-CG1 4.22Å; P127-V144 HydrophobicContact CG-CB 4.05Å; P127-V144 HydrophobicContact CG-CG1 3.85Å; P127-V144 WeakPolarHBondContact CG-O 3.37Å
128	L	84.9	Confident	88	Confident	89 Å²	89	65.9 Å²	65.9	47%	0.466	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-85	116.8	171.1	-177.6	66.3	0	0	0	107.6	R126 E134 S162 V164	R126-L128 PolarHBondContact O-N 2.88Å; L128-E134 HydrophobicContact CD1-CG 4.21Å; L128-S162 PolarHBondContact N-O 3.4Å; L128-V164 HydrophobicContact CD1-CG1 4.45Å
129	G	81.8	Confident	87	Confident	11 Å²	11	70.6 Å²	70.6	11%	0.113	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-73.9	169.3	173.1	0	0	0	0	0	112.1	E134	G129-E134 PolarHBondContact N-OE1 2.83Å
130	N	85.3	Confident	86	Confident	86 Å²	86	68.2 Å²	68.2	46%	0.46	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.4	169	164.3	68.7	17.5	0	0	0	110.6	E132 Q133 E134	N130-E132 PolarHBondContact O-N 2.97Å; N130-E132 VanDerWaalsContact O-N 3.15Å; N130-E132 PolarHBondContact OD1-N 2.83Å; N130-Q133 PolarHBondContact O-N 3.38Å; N130-Q133 VanDerWaalsContact OD1-CB 3.3Å; N130-Q133 WeakPolarHBondContact OD1-CB 3.47Å; N130-Q133 WeakPolarHBondContact OD1-CG 3.44Å; N130-Q133 PolarHBondContact OD1-N 3.03Å; N130-E134 PolarHBondContact O-N 3.39Å
131	A	84.1	Confident	84.9	Confident	89 Å²	89	67.8 Å²	67.8	74%	0.736	35%	0.345	S	S	*	.	H	α-helix	trans	-55.1	-37.2	-176.5	0	0	0	0	0	113.2	M135	A131-M135 VanDerWaalsContact O-CB 3.28Å; A131-M135 WeakPolarHBondContact O-CB 3.23Å; A131-M135 PolarHBondContact O-N 3.08Å
132	E	85.5	Confident	83.8	Confident	114 Å²	114	68.6 Å²	68.6	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-42.9	176.3	-171	-169.9	164.7	0	0	112.1	N130 M135 K136	N130-E132 PolarHBondContact O-N 2.97Å; N130-E132 VanDerWaalsContact O-N 3.15Å; N130-E132 PolarHBondContact OD1-N 2.83Å; E132-M135 PolarHBondContact O-N 2.78Å; E132-K136 HydrophobicContact CG-CD 4.42Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.31Å; E132-K136 PolarHBondContact O-N 2.85Å; E132-K136 WeakPolarHBondContact OE1-CE 3.44Å; E132-K136 IonicContact OE1-NZ 3.77Å; E132-K136 PolarHBondContact OE1-NZ 2.82Å
133	Q	85.2	Confident	82.7	Confident	84 Å²	84	69.6 Å²	69.6	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-40.9	178.1	-74.4	166.3	-10.1	0	0	111.7	N130 K136 R137 V144	N130-Q133 PolarHBondContact O-N 3.38Å; N130-Q133 VanDerWaalsContact OD1-CB 3.3Å; N130-Q133 WeakPolarHBondContact OD1-CB 3.47Å; N130-Q133 WeakPolarHBondContact OD1-CG 3.44Å; N130-Q133 PolarHBondContact OD1-N 3.03Å; Q133-K136 PolarHBondContact O-N 2.76Å; Q133-R137 VanDerWaalsContact O-CB 3.31Å; Q133-R137 WeakPolarHBondContact O-CB 3.31Å; Q133-R137 PolarHBondContact O-N 3.46Å; Q133-V144 HydrophobicContact CB-CG2 4.19Å; Q133-V144 HydrophobicContact CG-CG2 4.33Å
134	E	83.6	Confident	81.6	Confident	41 Å²	41	68.6 Å²	68.6	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-37.8	175.5	-68.2	-62.8	141.1	0	0	111.3	R126 L128 G129 N130 R137 W138	R126-E134 IonicContact CZ-OE1 2.98Å; R126-E134 IonicContact CZ-OE2 2.78Å; R126-E134 IonicContact NH1-OE1 3.39Å; R126-E134 PolarHBondContact NH1-OE1 2.8Å; R126-E134 IonicContact NH1-OE2 3.87Å; R126-E134 PolarHBondContact NH1-OE2 3.45Å; R126-E134 VanDerWaalsContact NH1-OE2 3.14Å; R126-E134 IonicContact NH2-OE1 2.89Å; R126-E134 IonicContact NH2-OE2 3.29Å; R126-E134 PolarHBondContact NH2-OE2 2.73Å; L128-E134 HydrophobicContact CD1-CG 4.21Å; G129-E134 PolarHBondContact N-OE1 2.83Å; N130-E134 PolarHBondContact O-N 3.39Å; E134-R137 WeakPolarHBondContact O-CB 3.19Å; E134-R137 PolarHBondContact O-N 2.98Å; E134-W138 WeakPolarHBondContact O-CB 3.49Å; E134-W138 PolarHBondContact O-N 3.05Å
135	M	82	Confident	80.9	Confident	105 Å²	105	73.2 Å²	73.2	52%	0.517	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-46	172.1	-172.8	63.5	72.7	0	0	111.4	A131 E132 R137 W138 L139	A131-M135 VanDerWaalsContact O-CB 3.28Å; A131-M135 WeakPolarHBondContact O-CB 3.23Å; A131-M135 PolarHBondContact O-N 3.08Å; E132-M135 PolarHBondContact O-N 2.78Å; M135-R137 VanDerWaalsContact C-N 3.33Å; M135-R137 PolarHBondContact O-N 2.89Å; M135-W138 PolarHBondContact O-N 2.86Å; M135-W138 HydrophobicContact SD-CE3 4.33Å; M135-L139 HydrophobicContact CG-CD1 3.75Å; M135-L139 HydrophobicContact CG-CG 4.39Å; M135-L139 WeakPolarHBondContact O-CB 3.48Å; M135-L139 WeakPolarHBondContact O-CG 3.49Å; M135-L139 PolarHBondContact O-N 3.12Å; M135-L139 HydrophobicContact SD-CD1 3.79Å; M135-L139 HydrophobicContact SD-CG 4.09Å
136	K	81.4	Confident	80	Confident	88 Å²	88	74.2 Å²	74.2	38%	0.383	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-33.8	175.6	-74.5	178.9	-175.6	172.2	0	112.6	E132 Q133 L140 G141 H142	E132-K136 HydrophobicContact CG-CD 4.42Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.31Å; E132-K136 PolarHBondContact O-N 2.85Å; E132-K136 WeakPolarHBondContact OE1-CE 3.44Å; E132-K136 IonicContact OE1-NZ 3.77Å; E132-K136 PolarHBondContact OE1-NZ 2.82Å; Q133-K136 PolarHBondContact O-N 2.76Å; K136-L140 HydrophobicContact CG-CD1 4.27Å; K136-L140 CarbonylContact O-C 3.55Å; K136-L140 VanDerWaalsContact O-CA 3.27Å; K136-L140 WeakPolarHBondContact O-CA 3.3Å; K136-L140 VanDerWaalsContact O-CB 3.23Å; K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 PolarHBondContact O-N 3.26Å; K136-G141 PolarHBondContact O-N 3.38Å; K136-H142 HydrophobicContact CB-CB 4.3Å; K136-H142 PolarHBondContact O-N 3.39Å
137	R	80.8	Confident	79.1	Confident	53 Å²	53	80 Å²	80	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-61.9	-49.3	172.7	-178.3	-160.3	175	108.2	5	110.3	R126 Q133 E134 M135 G141 H142	R126-R137 VanDerWaalsContact CD-CZ 3.47Å; R126-R137 VanDerWaalsContact CD-NH2 3.32Å; R126-R137 VanDerWaalsContact CZ-CZ 3.48Å; R126-R137 VanDerWaalsContact CZ-NH1 3.28Å; Q133-R137 VanDerWaalsContact O-CB 3.31Å; Q133-R137 WeakPolarHBondContact O-CB 3.31Å; Q133-R137 PolarHBondContact O-N 3.46Å; E134-R137 WeakPolarHBondContact O-CB 3.19Å; E134-R137 PolarHBondContact O-N 2.98Å; M135-R137 VanDerWaalsContact C-N 3.33Å; M135-R137 PolarHBondContact O-N 2.89Å; R137-G141 WeakPolarHBondContact O-CA 3.26Å; R137-G141 PolarHBondContact O-N 3.18Å; R137-H142 WeakPolarHBondContact CA-O 3.28Å; R137-H142 WeakPolarHBondContact CB-O 3.49Å
138	W	76.1	Confident	78.4	Confident	208 Å²	208	83.1 Å²	83.1	79%	0.788	43%	0.43	S	S	*	.	H	α-helix	trans	-69.2	-42.6	-177.5	-175.3	74	0	0	0	112.5	E134 M135	E134-W138 WeakPolarHBondContact O-CB 3.49Å; E134-W138 PolarHBondContact O-N 3.05Å; M135-W138 PolarHBondContact O-N 2.86Å; M135-W138 HydrophobicContact SD-CE3 4.33Å
139	L	75	Confident	77.8	Confident	111 Å²	111	81.3 Å²	81.3	58%	0.581	42%	0.424	S	S	*	.	H	α-helix	trans	-82.1	-40.8	-178.3	-71.2	176.3	0	0	0	114.2	M135	M135-L139 HydrophobicContact CG-CD1 3.75Å; M135-L139 HydrophobicContact CG-CG 4.39Å; M135-L139 WeakPolarHBondContact O-CB 3.48Å; M135-L139 WeakPolarHBondContact O-CG 3.49Å; M135-L139 PolarHBondContact O-N 3.12Å; M135-L139 HydrophobicContact SD-CD1 3.79Å; M135-L139 HydrophobicContact SD-CG 4.09Å
140	L	76.9	Confident	77.4	Confident	103 Å²	103	85.3 Å²	85.3	54%	0.539	44%	0.443	S	S	.	.	H	α-helix	trans	-117.9	-2.3	-168.1	-56.4	174.7	0	0	0	113.2	K136 H142	K136-L140 HydrophobicContact CG-CD1 4.27Å; K136-L140 CarbonylContact O-C 3.55Å; K136-L140 VanDerWaalsContact O-CA 3.27Å; K136-L140 WeakPolarHBondContact O-CA 3.3Å; K136-L140 VanDerWaalsContact O-CB 3.23Å; K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 PolarHBondContact O-N 3.26Å; L140-H142 VanDerWaalsContact CB-ND1 3.33Å; L140-H142 WeakPolarHBondContact CB-ND1 3.35Å; L140-H142 PolarHBondContact O-N 3.47Å
141	G	73.9	Confident	76.8	Confident	13 Å²	13	82.3 Å²	82.3	13%	0.134	43%	0.428	C	S	.	.			trans	73	12.3	-177	0	0	0	0	0	115.4	Q102 K136 R137 S143	Q102-G141 VanDerWaalsContact CG-O 3.26Å; Q102-G141 WeakPolarHBondContact CG-O 3.47Å; Q102-G141 PolarHBondContact OE1-O 3.15Å; K136-G141 PolarHBondContact O-N 3.38Å; R137-G141 WeakPolarHBondContact O-CA 3.26Å; R137-G141 PolarHBondContact O-N 3.18Å; G141-S143 PolarHBondContact O-N 3.41Å
142	H	72	Confident	76.2	Confident	119 Å²	119	78 Å²	78	55%	0.551	39%	0.393	S	S	*	.			trans	-75.7	99.7	178.2	-76.5	90.2	0	0	0	110.4	K136 R137 L140	K136-H142 HydrophobicContact CB-CB 4.3Å; K136-H142 PolarHBondContact O-N 3.39Å; R137-H142 WeakPolarHBondContact CA-O 3.28Å; R137-H142 WeakPolarHBondContact CB-O 3.49Å; L140-H142 VanDerWaalsContact CB-ND1 3.33Å; L140-H142 WeakPolarHBondContact CB-ND1 3.35Å; L140-H142 PolarHBondContact O-N 3.47Å
143	S	73.2	Confident	75.5	Confident	23 Å²	23	73.6 Å²	73.6	16%	0.161	37%	0.374	C	S	.	.			trans	-85.5	135.8	173.2	63.6	0	0	0	0	111.4	S103 G141 Q145	S103-S143 PolarHBondContact N-OG 3.11Å; S103-S143 VanDerWaalsContact N-OG 3.13Å; S103-S143 WeakPolarHBondContact O-CB 3.31Å; G141-S143 PolarHBondContact O-N 3.41Å; S143-Q145 PolarHBondContact O-N 3.3Å
144	V	70.1	Confident	74.8	Confident	50 Å²	50	70.4 Å²	70.4	30%	0.303	36%	0.363	S	S	.	.			trans	-66.8	120.1	164.7	-179.6	0	0	0	0	108.3	P127 Q133	P127-V144 HydrophobicContact CB-CG1 4.22Å; P127-V144 HydrophobicContact CG-CB 4.05Å; P127-V144 HydrophobicContact CG-CG1 3.85Å; P127-V144 WeakPolarHBondContact CG-O 3.37Å; Q133-V144 HydrophobicContact CB-CG2 4.19Å; Q133-V144 HydrophobicContact CG-CG2 4.33Å
145	Q	78.8	Confident	73.7	Confident	98 Å²	98	72.8 Å²	72.8	46%	0.458	38%	0.382	S	S	.	.			trans	-104.4	150.9	177.3	-66.5	-176.5	-3.5	0	0	110.1	S143	S143-Q145 PolarHBondContact O-N 3.3Å
146	L	73.5	Confident	72.6	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	39%	0.387	C	S	.	.			trans	-77.9	125.9	172.9	-66.2	171.6	0	0	0	108.4	Y106 W125 D148 V152 L161	Y106-L146 HydrophobicContact CD1-CD1 4.27Å; Y106-L146 HydrophobicContact CD2-CD1 3.78Å; Y106-L146 HydrophobicContact CD2-CG 4.24Å; Y106-L146 HydrophobicContact CE1-CD1 4.43Å; Y106-L146 HydrophobicContact CE2-CB 4.47Å; Y106-L146 HydrophobicContact CE2-CD1 4.03Å; Y106-L146 HydrophobicContact CE2-CG 4Å; Y106-L146 HydrophobicContact CG-CD1 3.95Å; Y106-L146 PolarHBondContact OH-N 3.14Å; W125-L146 HydrophobicContact CH2-CD1 3.71Å; W125-L146 HydrophobicContact CZ3-CD1 4.07Å; L146-D148 VanDerWaalsContact C-N 3.27Å; L146-D148 PolarHBondContact O-N 3.06Å; L146-V152 HydrophobicContact CD1-CG2 3.6Å; L146-L161 HydrophobicContact CD2-CD1 3.68Å
147	T	70.3	Confident	71.8	Confident	155 Å²	155	73.9 Å²	73.9	95%	0.951	39%	0.388	S	S	*	.	S	Bend	trans	-65.8	-34.4	174.5	-46.7	0	0	0	0	111.5
148	D	71.1	Confident	71.1	Confident	76 Å²	76	76 Å²	76	41%	0.406	40%	0.396	S	S	.	.			trans	-119.5	114.5	177	-172.6	-0.9	0	0	0	110.2	L146 N150 V151	L146-D148 VanDerWaalsContact C-N 3.27Å; L146-D148 PolarHBondContact O-N 3.06Å; D148-N150 PolarHBondContact O-N 2.87Å; D148-N150 VanDerWaalsContact OD1-CB 3.23Å; D148-N150 WeakPolarHBondContact OD1-CB 3.33Å; D148-N150 VanDerWaalsContact OD1-CG 3.26Å; D148-N150 PolarHBondContact OD1-N 3.22Å; D148-N150 PolarHBondContact OD1-ND2 2.91Å; D148-V151 HydrophobicContact CB-CG2 4.23Å; D148-V151 WeakPolarHBondContact O-CB 3.26Å; D148-V151 WeakPolarHBondContact O-CG2 3.44Å; D148-V151 PolarHBondContact O-N 2.99Å
149	S	73.8	Confident	70.5	Confident	50 Å²	50	75.3 Å²	75.3	35%	0.35	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.7	176.6	62.9	0	0	0	0	112.1	V151 V152	S149-V151 PolarHBondContact O-N 3.09Å; S149-V151 VanDerWaalsContact O-N 3.1Å; S149-V152 VanDerWaalsContact O-CB 3.23Å; S149-V152 WeakPolarHBondContact O-CB 3.23Å; S149-V152 VanDerWaalsContact O-CG2 3.29Å; S149-V152 WeakPolarHBondContact O-CG2 3.19Å; S149-V152 PolarHBondContact O-N 3.06Å
150	N	72.4	Confident	70.5	Confident	95 Å²	95	78.2 Å²	78.2	51%	0.508	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-23	179.2	-62.3	-46.3	0	0	0	112.6	D148 V152 C153 G154	D148-N150 PolarHBondContact O-N 2.87Å; D148-N150 VanDerWaalsContact OD1-CB 3.23Å; D148-N150 WeakPolarHBondContact OD1-CB 3.33Å; D148-N150 VanDerWaalsContact OD1-CG 3.26Å; D148-N150 PolarHBondContact OD1-N 3.22Å; D148-N150 PolarHBondContact OD1-ND2 2.91Å; N150-V152 PolarHBondContact O-N 2.87Å; N150-C153 PolarHBondContact O-N 3.33Å; N150-G154 PolarHBondContact O-N 2.81Å
151	V	72.7	Confident	70.5	Confident	23 Å²	23	76.1 Å²	76.1	14%	0.139	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-25.6	173.2	-179.4	0	0	0	0	111.7	D148 S149 D157 L161	D148-V151 HydrophobicContact CB-CG2 4.23Å; D148-V151 WeakPolarHBondContact O-CB 3.26Å; D148-V151 WeakPolarHBondContact O-CG2 3.44Å; D148-V151 PolarHBondContact O-N 2.99Å; S149-V151 PolarHBondContact O-N 3.09Å; S149-V151 VanDerWaalsContact O-N 3.1Å; V151-D157 HydrophobicContact CB-CB 4.34Å; V151-D157 HydrophobicContact CG1-CB 3.81Å; V151-D157 HydrophobicContact CG2-CB 4.09Å; V151-L161 HydrophobicContact CG1-CD1 3.67Å
152	V	72.7	Confident	71	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-66.6	-45.4	179.8	-178.1	0	0	0	0	110.8	E89 Y106 F108 W125 L146 S149 N150	E89-V152 HydrophobicContact CG-CB 4.4Å; E89-V152 HydrophobicContact CG-CG1 4.08Å; E89-V152 WeakPolarHBondContact OE1-CB 3.45Å; Y106-V152 HydrophobicContact CD1-CG2 3.86Å; Y106-V152 HydrophobicContact CG-CG2 3.93Å; F108-V152 HydrophobicContact CD1-CG1 4.23Å; F108-V152 WeakPolarHBondContact CD1-O 3.2Å; F108-V152 WeakPolarHBondContact CE1-O 3.16Å; W125-V152 HydrophobicContact CZ2-CB 4.41Å; W125-V152 HydrophobicContact CZ2-CG1 4.25Å; W125-V152 HydrophobicContact CZ2-CG2 4.33Å; L146-V152 HydrophobicContact CD1-CG2 3.6Å; S149-V152 VanDerWaalsContact O-CB 3.23Å; S149-V152 WeakPolarHBondContact O-CB 3.23Å; S149-V152 VanDerWaalsContact O-CG2 3.29Å; S149-V152 WeakPolarHBondContact O-CG2 3.19Å; S149-V152 PolarHBondContact O-N 3.06Å; N150-V152 PolarHBondContact O-N 2.87Å
153	C	69.5	Low	71.7	Confident	20 Å²	20	76.3 Å²	76.3	14%	0.135	40%	0.401	C	S	.	.	H	α-helix	trans	-90.3	-12.3	-179	-71.2	0	0	0	0	114.3	K87 E89 N150	K87-C153 PolarHBondContact NZ-O 2.85Å; E89-C153 PolarHBondContact OE1-SG 2.87Å; N150-C153 PolarHBondContact O-N 3.33Å
154	G	70.9	Confident	72.4	Confident	17 Å²	17	77.8 Å²	77.8	18%	0.175	41%	0.409	C	S	.	.			trans	-76.8	130.8	-175.7	0	0	0	0	0	113.4	N150 F156	N150-G154 PolarHBondContact O-N 2.81Å; G154-F156 VanDerWaalsContact C-N 3.34Å; G154-F156 PolarHBondContact O-N 2.82Å
155	P	60.7	Low	73.4	Confident	91 Å²	91	80 Å²	80	59%	0.591	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.1	-176.8	26.4	-32.4	0	0	0	114.5
156	F	58.2	Low	74	Confident	142 Å²	142	76.3 Å²	76.3	62%	0.623	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-38.8	-171.3	-61.9	-68.7	0	0	0	113.5	G154 R158 R159	G154-F156 VanDerWaalsContact C-N 3.34Å; G154-F156 PolarHBondContact O-N 2.82Å; F156-R158 PolarHBondContact O-N 3.06Å; F156-R159 PolarHBondContact O-N 2.85Å
157	D	64.4	Low	74.9	Confident	75 Å²	75	75.2 Å²	75.2	40%	0.401	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-73.8	-30.1	-171.6	-64.1	-47.7	0	0	0	113.2	V151 R159 K160	V151-D157 HydrophobicContact CB-CB 4.34Å; V151-D157 HydrophobicContact CG1-CB 3.81Å; V151-D157 HydrophobicContact CG2-CB 4.09Å; D157-R159 PolarHBondContact O-N 3.09Å; D157-R159 VanDerWaalsContact O-N 3.15Å; D157-K160 PolarHBondContact O-N 2.55Å; D157-K160 IonicContact OD1-NZ 3.16Å
158	R	67.5	Low	76	Confident	96 Å²	96	74.8 Å²	74.8	36%	0.362	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-58.1	-30.2	176.2	-174.6	176.6	174.2	-171.3	-1.1	113.2	W125 F156 K160 L161	W125-R158 HydrophobicContact CH2-CG 4.49Å; W125-R158 HydrophobicContact CZ2-CG 4.34Å; F156-R158 PolarHBondContact O-N 3.06Å; R158-K160 PolarHBondContact O-N 3.26Å; R158-L161 PolarHBondContact O-N 2.8Å; R158-L161 VanDerWaalsContact O-N 3.13Å
159	R	63.2	Low	77.2	Confident	195 Å²	195	71.2 Å²	71.2	74%	0.736	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.5	-177.4	-59.7	-175.5	-164.7	177.9	1.3	113.5	F156 D157 L161	F156-R159 PolarHBondContact O-N 2.85Å; D157-R159 PolarHBondContact O-N 3.09Å; D157-R159 VanDerWaalsContact O-N 3.15Å; R159-L161 VanDerWaalsContact C-N 3.27Å
160	K	74.4	Confident	78.3	Confident	171 Å²	171	72.6 Å²	72.6	74%	0.743	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-82.3	-9.9	178.2	-61.5	174.9	-175.7	163.7	0	112.4	D157 R158	D157-K160 PolarHBondContact O-N 2.55Å; D157-K160 IonicContact OD1-NZ 3.16Å; R158-K160 PolarHBondContact O-N 3.26Å
161	L	77.9	Confident	79.5	Confident	60 Å²	60	68.2 Å²	68.2	31%	0.314	35%	0.345	S	S	.	.	S	Bend	trans	-101.4	129.3	-176.8	-61.3	177.6	0	0	0	110.3	W125 L146 V151 R158 R159 T163	W125-L161 HydrophobicContact CH2-CD1 4.46Å; W125-L161 HydrophobicContact CZ3-CD1 4.47Å; L146-L161 HydrophobicContact CD2-CD1 3.68Å; V151-L161 HydrophobicContact CG1-CD1 3.67Å; R158-L161 PolarHBondContact O-N 2.8Å; R158-L161 VanDerWaalsContact O-N 3.13Å; R159-L161 VanDerWaalsContact C-N 3.27Å; L161-T163 HydrophobicContact CB-CG2 4Å; L161-T163 PolarHBondContact O-N 3.45Å
162	S	82.7	Confident	80.7	Confident	84 Å²	84	67.9 Å²	67.9	59%	0.587	34%	0.343	S	S	*	.			trans	-70	121.2	160.5	-63.3	0	0	0	0	108	L128	L128-S162 PolarHBondContact N-O 3.4Å
163	T	87.8	Confident	81.9	Confident	52 Å²	52	67.9 Å²	67.9	32%	0.319	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.2	-178	66.5	0	0	0	0	111.3	W125 R126 L161	W125-T163 HydrophobicContact CD2-CG2 4.25Å; W125-T163 HydrophobicContact CE3-CG2 3.43Å; W125-T163 VanDerWaalsContact CE3-CG2 3.43Å; W125-T163 HydrophobicContact CZ3-CG2 3.66Å; R126-T163 CarbonylContact O-C 3.55Å; R126-T163 VanDerWaalsContact O-CA 3.24Å; R126-T163 WeakPolarHBondContact O-CA 3.4Å; L161-T163 HydrophobicContact CB-CG2 4Å; L161-T163 PolarHBondContact O-N 3.45Å
164	V	88.9	Confident	83.2	Confident	54 Å²	54	71 Å²	71	33%	0.327	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.7	170.8	67	0	0	0	0	110	W125 R126 L128	W125-V164 CarbonylContact C-O 3.53Å; W125-V164 VanDerWaalsContact CA-O 3.31Å; W125-V164 WeakPolarHBondContact CA-O 3.4Å; R126-V164 HydrophobicContact CG-CG1 3.38Å; R126-V164 PolarHBondContact N-O 2.77Å; R126-V164 VanDerWaalsContact NE-CG1 3.27Å; R126-V164 PolarHBondContact O-N 3.13Å; L128-V164 HydrophobicContact CD1-CG1 4.45Å
165	S	90.9	Very high	84.5	Confident	95 Å²	95	70.4 Å²	70.4	66%	0.664	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	133.6	174	-171.9	0	0	0	0	109.9
166	A	89.9	Confident	86.1	Confident	21 Å²	21	70.5 Å²	70.5	17%	0.174	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-32.7	-178.7	0	0	0	0	0	112.6	G27 F28 V124	G27-A166 VanDerWaalsContact O-O 3.07Å; F28-A166 HydrophobicContact CD1-CB 4.47Å; F28-A166 HydrophobicContact CE1-CB 3.9Å; V124-A166 HydrophobicContact CG1-CB 4.31Å; V124-A166 PolarHBondContact O-N 2.82Å
167	G	92.6	Very high	87.7	Confident	8 Å²	8	65.3 Å²	65.3	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-165.3	-176.2	0	0	0	0	0	112.4	Q26 V124	Q26-G167 CarbonylContact O-C 3.46Å; Q26-G167 VanDerWaalsContact O-CA 3.26Å; Q26-G167 WeakPolarHBondContact O-CA 3.27Å; V124-G167 PolarHBondContact N-O 3.13Å; V124-G167 PolarHBondContact O-N 3.15Å
168	R	94.8	Very high	89	Confident	146 Å²	146	68.5 Å²	68.5	55%	0.551	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.5	177.5	-60	-177.8	-168.8	165.9	4.3	110.3	A25 Q26 C122	A25-R168 CarbonylContact C-O 3.58Å; A25-R168 WeakPolarHBondContact CA-O 3.24Å; Q26-R168 PolarHBondContact N-O 3.34Å; Q26-R168 PolarHBondContact O-N 3.33Å; C122-R168 CarbonylContact O-C 3.58Å; C122-R168 VanDerWaalsContact O-CA 3.31Å; C122-R168 WeakPolarHBondContact O-CA 3.43Å
169	V	95.7	Very high	89.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.7	170.2	179.3	0	0	0	0	107.8	I22 D24 A25 F28 L90 V92 C122 V124 L171	I22-V169 HydrophobicContact CG2-CG1 3.53Å; D24-V169 WeakPolarHBondContact O-CA 3.16Å; A25-V169 HydrophobicContact CB-CG2 4.19Å; F28-V169 HydrophobicContact CE2-CG2 4.49Å; L90-V169 HydrophobicContact CD1-CB 3.89Å; L90-V169 HydrophobicContact CD1-CG1 3.85Å; L90-V169 HydrophobicContact CD1-CG2 4.4Å; V92-V169 HydrophobicContact CG2-CG2 3.6Å; C122-V169 PolarHBondContact N-O 3.22Å; C122-V169 PolarHBondContact O-N 2.99Å; V124-V169 HydrophobicContact CG2-CG2 3.83Å; V169-L171 HydrophobicContact CG1-CD1 4.35Å
170	R	96.9	Very high	90.8	Very high	80 Å²	80	56.1 Å²	56.1	30%	0.302	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.9	175.7	-66.7	-164.2	-64.2	-169.7	0.3	109.6	T23 D24 Q26	T23-R170 PolarHBondContact N-O 3.33Å; T23-R170 WeakPolarHBondContact OG1-CB 3.24Å; T23-R170 PolarHBondContact OG1-O 2.95Å; T23-R170 VanDerWaalsContact OG1-O 3.11Å; D24-R170 VanDerWaalsContact CG-NE 3.28Å; D24-R170 PolarHBondContact O-N 2.8Å; D24-R170 IonicContact OD1-CZ 2.79Å; D24-R170 VanDerWaalsContact OD1-CZ 3.29Å; D24-R170 IonicContact OD1-NE 2.76Å; D24-R170 PolarHBondContact OD1-NE 3.28Å; D24-R170 IonicContact OD1-NH2 2.63Å; D24-R170 PolarHBondContact OD1-NH2 2.95Å; D24-R170 IonicContact OD2-CZ 3.8Å; D24-R170 IonicContact OD2-NE 2.72Å; D24-R170 PolarHBondContact OD2-NE 3.23Å; D24-R170 IonicContact OD2-NH2 3.14Å; D24-R170 PolarHBondContact OD2-NH2 2.8Å; Q26-R170 VanDerWaalsContact NE2-NE 3.14Å
171	L	97.5	Very high	91	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140	174.5	-54	90.1	0	0	0	108.1	E21 I22 I73 I88 L90 V120 C122 V169 L173	E21-L171 VanDerWaalsContact O-CA 3.32Å; E21-L171 WeakPolarHBondContact O-CA 3.15Å; I22-L171 HydrophobicContact CG1-CD2 4.1Å; I73-L171 HydrophobicContact CD1-CD2 3.87Å; I88-L171 HydrophobicContact CG2-CD2 4.44Å; L90-L171 HydrophobicContact CD1-CD1 3.94Å; L90-L171 HydrophobicContact CD1-CD2 4.38Å; V120-L171 HydrophobicContact CB-CB 4.36Å; V120-L171 PolarHBondContact N-O 3.35Å; V120-L171 PolarHBondContact O-N 2.79Å; C122-L171 HydrophobicContact CB-CD1 3.88Å; V169-L171 HydrophobicContact CG1-CD1 4.35Å; L171-L173 HydrophobicContact CB-CD2 4.29Å; L171-L173 HydrophobicContact CB-CG 4.18Å
172	C	97.6	Very high	90.7	Very high	16 Å²	16	57.9 Å²	57.9	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115	166.9	-172	0	0	0	0	107.4	G20 E21 T23 E117	G20-C172 CarbonylContact C-O 3.6Å; G20-C172 WeakPolarHBondContact CA-O 3.34Å; E21-C172 HydrophobicContact CG-CB 4.39Å; E21-C172 PolarHBondContact N-O 3.36Å; E21-C172 PolarHBondContact O-N 3.47Å; T23-C172 HydrophobicContact CG2-CB 4Å; E117-C172 PolarHBondContact OE1-SG 2.72Å
173	L	97.7	Very high	90	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.4	-175.6	-57.5	180	0	0	0	110.2	V18 I73 I88 H118 V120 L171	V18-L173 HydrophobicContact CG1-CB 4.25Å; V18-L173 HydrophobicContact CG1-CD1 4.34Å; V18-L173 HydrophobicContact CG1-CD2 4.13Å; V18-L173 HydrophobicContact CG1-CG 4.48Å; I73-L173 HydrophobicContact CD1-CD2 4.01Å; I88-L173 HydrophobicContact CD1-CD1 3.87Å; I88-L173 HydrophobicContact CD1-CD2 4.31Å; H118-L173 PolarHBondContact CD2-O 2.9Å; H118-L173 PolarHBondContact N-O 2.79Å; H118-L173 PolarHBondContact O-N 3.14Å; V120-L173 HydrophobicContact CG2-CD1 4.02Å; V120-L173 HydrophobicContact CG2-CG 4.43Å; L171-L173 HydrophobicContact CB-CD2 4.29Å; L171-L173 HydrophobicContact CB-CG 4.18Å
174	F	97.5	Very high	88.9	Confident	86 Å²	86	62.9 Å²	62.9	38%	0.377	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.8	168.5	-60.6	-91	0	0	0	109.2	V18 I19 G116 E117	V18-F174 WeakPolarHBondContact CA-O 3.32Å; I19-F174 PolarHBondContact N-O 2.63Å; I19-F174 WeakPolarHBondContact O-CA 3.28Å; I19-F174 WeakPolarHBondContact O-CB 3.5Å; I19-F174 PolarHBondContact O-N 3.22Å; G116-F174 CarbonylContact O-C 3.52Å; G116-F174 WeakPolarHBondContact O-CA 3.3Å; E117-F174 HydrophobicContact CB-CD1 3.63Å; E117-F174 HydrophobicContact CB-CE1 3.44Å; E117-F174 VanDerWaalsContact CB-CE1 3.44Å; E117-F174 HydrophobicContact CB-CZ 4.24Å; E117-F174 HydrophobicContact CG-CD1 3.85Å; E117-F174 HydrophobicContact CG-CE1 3.31Å; E117-F174 HydrophobicContact CG-CE2 4.35Å; E117-F174 HydrophobicContact CG-CZ 3.58Å; E117-F174 WeakPolarHBondContact OE2-CE1 3.42Å
175	V	96.9	Very high	87.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.6	179.8	179.1	0	0	0	0	109.5	V16 H17 V18 V111 P112 P115 G116 M177	V16-V175 HydrophobicContact CG1-CG1 3.95Å; H17-V175 CarbonylContact O-C 3.52Å; H17-V175 WeakPolarHBondContact O-CA 3.44Å; V18-V175 HydrophobicContact CG1-CG2 4.44Å; V111-V175 HydrophobicContact CG1-CG2 4.19Å; P112-V175 HydrophobicContact CB-CG2 4.02Å; P112-V175 HydrophobicContact CG-CG2 4.12Å; P115-V175 CarbonylContact C-O 3.59Å; P115-V175 VanDerWaalsContact CA-O 3.22Å; P115-V175 WeakPolarHBondContact CA-O 3.31Å; G116-V175 PolarHBondContact N-O 2.82Å; G116-V175 PolarHBondContact O-N 3.34Å; V175-M177 HydrophobicContact CG1-CE 3.67Å; V175-M177 HydrophobicContact CG1-CG 4.07Å
176	I	95.2	Very high	86	Confident	93 Å²	93	66.9 Å²	66.9	48%	0.477	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.9	173.3	-53.2	170	0	0	0	107.5	V16 H17 I19	V16-I176 WeakPolarHBondContact CA-O 3.27Å; H17-I176 HydrophobicContact CB-CB 4.21Å; H17-I176 PolarHBondContact N-O 2.99Å; H17-I176 PolarHBondContact O-N 3.07Å; I19-I176 HydrophobicContact CD1-CD1 4.45Å
177	M	92.3	Very high	84.2	Confident	34 Å²	34	70.4 Å²	70.4	17%	0.167	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.6	179.1	-62.4	-165.1	176.8	0	0	110.3	W85 T113 V175 F180	W85-M177 HydrophobicContact CH2-CE 3.69Å; W85-M177 HydrophobicContact CZ2-CE 3.94Å; T113-M177 WeakPolarHBondContact O-CE 3.43Å; V175-M177 HydrophobicContact CG1-CE 3.67Å; V175-M177 HydrophobicContact CG1-CG 4.07Å; M177-F180 HydrophobicContact CB-CD2 3.85Å; M177-F180 HydrophobicContact CB-CE2 4.32Å; M177-F180 HydrophobicContact CB-CG 4.48Å; M177-F180 HydrophobicContact CG-CD2 4.37Å; M177-F180 HydrophobicContact CG-CE2 4.45Å; M177-F180 HydrophobicContact SD-CD2 4.35Å; M177-F180 HydrophobicContact SD-CE2 4.47Å; M177-F180 HydrophobicContact SD-CG 4.42Å
178	R	90.4	Very high	83.8	Confident	142 Å²	142	73.6 Å²	73.6	54%	0.536	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.6	179.3	-177.4	-173.4	-176.1	-171.7	5.4	110.3	A14 E15 F180	A14-R178 WeakPolarHBondContact CA-O 3.41Å; E15-R178 HydrophobicContact CB-CB 4.22Å; E15-R178 PolarHBondContact N-O 3.37Å; E15-R178 PolarHBondContact O-N 3.24Å; E15-R178 IonicContact OE2-NH1 3.53Å; R178-F180 PolarHBondContact O-N 2.85Å
179	N	87.7	Confident	83.2	Confident	27 Å²	27	69.7 Å²	69.7	14%	0.144	34%	0.338	C	S	.	.	S	Bend	trans	62.1	11.1	179.8	-58.1	-46.7	0	0	0	115.7	M13 D181 K182 F183	M13-N179 WeakPolarHBondContact O-CB 3.38Å; M13-N179 PolarHBondContact O-ND2 2.93Å; N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 2.93Å; N179-K182 HydrophobicContact CB-CD 4.27Å; N179-K182 PolarHBondContact O-N 2.78Å; N179-K182 PolarHBondContact OD1-NZ 3.41Å; N179-F183 VanDerWaalsContact O-CD2 3.25Å; N179-F183 WeakPolarHBondContact O-CD2 3.34Å
180	F	82.7	Confident	82.5	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.018	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.6	-37.3	177.6	-89.1	-99.9	0	0	0	112.6	A14 E15 V16 W45 T79 W85 M177 R178 K182 F183 I185	A14-F180 HydrophobicContact CB-CD2 3.95Å; A14-F180 HydrophobicContact CB-CE1 4.38Å; A14-F180 HydrophobicContact CB-CE2 3.8Å; A14-F180 HydrophobicContact CB-CG 4.31Å; A14-F180 HydrophobicContact CB-CZ 4.02Å; E15-F180 WeakPolarHBondContact O-CE2 3.11Å; V16-F180 HydrophobicContact CG2-CE2 3.37Å; V16-F180 HydrophobicContact CG2-CZ 3.36Å; W45-F180 HydrophobicContact CH2-CZ 4.12Å; T79-F180 HydrophobicContact CG2-CZ 4.22Å; W85-F180 HydrophobicContact CH2-CE1 4.45Å; W85-F180 HydrophobicContact CH2-CZ 4.37Å; W85-F180 HydrophobicContact CZ3-CE1 4.16Å; W85-F180 HydrophobicContact CZ3-CZ 4.32Å; M177-F180 HydrophobicContact CB-CD2 3.85Å; M177-F180 HydrophobicContact CB-CE2 4.32Å; M177-F180 HydrophobicContact CB-CG 4.48Å; M177-F180 HydrophobicContact CG-CD2 4.37Å; M177-F180 HydrophobicContact CG-CE2 4.45Å; M177-F180 HydrophobicContact SD-CD2 4.35Å; M177-F180 HydrophobicContact SD-CE2 4.47Å; M177-F180 HydrophobicContact SD-CG 4.42Å; R178-F180 PolarHBondContact O-N 2.85Å; F180-K182 PolarHBondContact O-N 3.01Å; F180-K182 VanDerWaalsContact O-N 3.12Å; F180-F183 PolarHBondContact O-N 3.15Å; F180-I185 HydrophobicContact CD1-CB 4.1Å; F180-I185 HydrophobicContact CD1-CD1 3.78Å; F180-I185 HydrophobicContact CD1-CG2 3.98Å; F180-I185 HydrophobicContact CE1-CD1 4.08Å
181	D	77.1	Confident	81.7	Confident	135 Å²	135	73.2 Å²	73.2	72%	0.722	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.3	176.9	-41.6	-36	0	0	0	113.3	N179 F183	N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 2.93Å; D181-F183 PolarHBondContact O-N 2.85Å
182	K	71.2	Confident	80.7	Confident	132 Å²	132	77.6 Å²	77.6	57%	0.574	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-76.9	-10.6	179.2	-65.4	178.3	-178.9	160	0	113.2	P12 N179 F180	P12-K182 HydrophobicContact CB-CD 4.38Å; P12-K182 HydrophobicContact CG-CD 4.04Å; N179-K182 HydrophobicContact CB-CD 4.27Å; N179-K182 PolarHBondContact O-N 2.78Å; N179-K182 PolarHBondContact OD1-NZ 3.41Å; F180-K182 PolarHBondContact O-N 3.01Å; F180-K182 VanDerWaalsContact O-N 3.12Å
183	F	68.9	Low	79.6	Confident	85 Å²	85	81.7 Å²	81.7	37%	0.373	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-111	15.9	-179.3	-68.5	-81.7	0	0	0	112.4	P12 A14 N179 F180 D181 I185	P12-F183 VanDerWaalsContact O-CE2 3.27Å; P12-F183 WeakPolarHBondContact O-CE2 3.44Å; P12-F183 WeakPolarHBondContact O-CZ 3.28Å; A14-F183 HydrophobicContact CB-CD2 3.76Å; A14-F183 HydrophobicContact CB-CE2 3.87Å; A14-F183 VanDerWaalsContact N-CE2 3.29Å; N179-F183 VanDerWaalsContact O-CD2 3.25Å; N179-F183 WeakPolarHBondContact O-CD2 3.34Å; F180-F183 PolarHBondContact O-N 3.15Å; D181-F183 PolarHBondContact O-N 2.85Å; F183-I185 HydrophobicContact CB-CD1 3.81Å; F183-I185 HydrophobicContact CB-CG1 4.2Å; F183-I185 PolarHBondContact O-N 2.84Å
184	D	64.8	Low	78.3	Confident	157 Å²	157	87.6 Å²	87.6	84%	0.84	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.2	-178	-58.9	-40.4	0	0	0	113.3
185	I	61.8	Low	76.8	Confident	39 Å²	39	87.7 Å²	87.7	20%	0.2	43%	0.432	C	S	.	.			trans	-98	98.3	175.1	-57.4	157.1	0	0	0	107.4	I82 F180 F183 C187	I82-I185 HydrophobicContact CG2-CD1 3.32Å; I82-I185 HydrophobicContact CG2-CG1 3.72Å; I82-I185 HydrophobicContact CG2-CG2 3.96Å; F180-I185 HydrophobicContact CD1-CB 4.1Å; F180-I185 HydrophobicContact CD1-CD1 3.78Å; F180-I185 HydrophobicContact CD1-CG2 3.98Å; F180-I185 HydrophobicContact CE1-CD1 4.08Å; F183-I185 HydrophobicContact CB-CD1 3.81Å; F183-I185 HydrophobicContact CB-CG1 4.2Å; F183-I185 PolarHBondContact O-N 2.84Å; I185-C187 PolarHBondContact O-N 2.95Å
186	E	57.8	Low	75.1	Confident	193 Å²	193	94.8 Å²	94.8	90%	0.902	47%	0.467	S	S	*	.			trans	-67.1	123.3	165.9	-66.4	-175.8	171.2	0	0	108.6
187	C	51.4	Low	73.3	Confident	96 Å²	96	94.9 Å²	94.9	65%	0.649	47%	0.466	S	S	*	.			trans	-87.7	0	179.9	-60.1	0	0	0	0	111.7	I185	I185-C187 PolarHBondContact O-N 2.95Å

Retrieved 187 of 187 residues in 129.5 ms (Link to these results)

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