A0A5K4F4T3_SCHMA Loading...

Protein sleepless

AlphaFold DB , UniProt , Accession A0A5K4F4T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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	53.5	Low	62.1	Low	206 Å²	206	118.8 Å²	118.8	100%	1.015	63%	0.625	S	S	*	*				0	-44.1	0	-143.5	141.9	70.5	0	0	112.5	V3 F5	M1-V3 PolarHBondContact O-N 3.34Å; M1-F5 PolarHBondContact O-N 2.99Å
2	N	61.3	Low	61.7	Low	136 Å²	136	122.2 Å²	122.2	73%	0.727	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-37.7	-179.8	-68.6	-17.6	0	0	0	115.3	F5 S6	N2-F5 PolarHBondContact O-N 3.24Å; N2-S6 PolarHBondContact O-N 3.18Å; N2-S6 PolarHBondContact O-OG 3.41Å
3	V	65.8	Low	61.4	Low	106 Å²	106	117.5 Å²	117.5	64%	0.642	62%	0.621	S	S	*	*	H	α-helix	trans	-68.5	-41.2	-176.7	-177.3	0	0	0	0	112.1	M1 S6 I7	M1-V3 PolarHBondContact O-N 3.34Å; V3-S6 PolarHBondContact O-N 3.47Å; V3-I7 HydrophobicContact CG1-CD1 3.87Å; V3-I7 WeakPolarHBondContact O-CD1 3.43Å; V3-I7 VanDerWaalsContact O-CG1 3.25Å; V3-I7 WeakPolarHBondContact O-CG1 3.41Å; V3-I7 PolarHBondContact O-N 3.09Å
4	I	65.8	Low	61.1	Low	124 Å²	124	113.6 Å²	113.6	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-68.4	-38.4	-179.9	-61.1	171.2	0	0	0	110.7	I7 C8	I4-I7 PolarHBondContact O-N 3.42Å; I4-C8 PolarHBondContact O-N 3.31Å
5	F	58.8	Low	60.6	Low	148 Å²	148	115.9 Å²	115.9	65%	0.649	62%	0.619	S	S	*	*	H	α-helix	trans	-67.7	-39.7	176.5	-156.3	-97.2	0	0	0	111.9	M1 N2 C8 L9	M1-F5 PolarHBondContact O-N 2.99Å; N2-F5 PolarHBondContact O-N 3.24Å; F5-C8 PolarHBondContact O-N 3.47Å; F5-L9 HydrophobicContact CD1-CD1 3.72Å; F5-L9 HydrophobicContact CE1-CD1 3.74Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 PolarHBondContact O-N 3.18Å
6	S	66.2	Low	60	Low	64 Å²	64	118.3 Å²	118.3	45%	0.448	63%	0.631	S	S	.	*	H	α-helix	trans	-63.9	-41.6	172.4	-77.5	0	0	0	0	112.8	N2 V3 L9 I10	N2-S6 PolarHBondContact O-N 3.18Å; N2-S6 PolarHBondContact O-OG 3.41Å; V3-S6 PolarHBondContact O-N 3.47Å; S6-L9 PolarHBondContact O-N 3.37Å; S6-I10 WeakPolarHBondContact O-CD1 3.2Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.95Å
7	I	69	Low	59.5	Low	93 Å²	93	118.8 Å²	118.8	48%	0.477	63%	0.632	S	S	.	*	H	α-helix	trans	-64.5	-41.1	177.3	-66.4	162.8	0	0	0	110.9	V3 I4 I10 H11	V3-I7 HydrophobicContact CG1-CD1 3.87Å; V3-I7 WeakPolarHBondContact O-CD1 3.43Å; V3-I7 VanDerWaalsContact O-CG1 3.25Å; V3-I7 WeakPolarHBondContact O-CG1 3.41Å; V3-I7 PolarHBondContact O-N 3.09Å; I4-I7 PolarHBondContact O-N 3.42Å; I7-I10 PolarHBondContact O-N 3.25Å; I7-H11 PolarHBondContact O-N 2.81Å
8	C	62.6	Low	59.3	Low	79 Å²	79	118.2 Å²	118.2	53%	0.534	64%	0.639	S	S	.	*	H	α-helix	trans	-63.2	-41.5	174.4	-80.5	0	0	0	0	112.5	I4 F5 H11 F12	I4-C8 PolarHBondContact O-N 3.31Å; F5-C8 PolarHBondContact O-N 3.47Å; C8-H11 PolarHBondContact O-N 3.49Å; C8-F12 WeakPolarHBondContact O-CB 3.3Å; C8-F12 PolarHBondContact O-N 3.33Å
9	L	60.4	Low	59.6	Low	101 Å²	101	115.9 Å²	115.9	53%	0.529	64%	0.638	S	S	.	*	H	α-helix	trans	-63.9	-38.3	175.9	-90.1	161	0	0	0	112.8	F5 S6 F12 A13	F5-L9 HydrophobicContact CD1-CD1 3.72Å; F5-L9 HydrophobicContact CE1-CD1 3.74Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 PolarHBondContact O-N 3.18Å; S6-L9 PolarHBondContact O-N 3.37Å; L9-F12 PolarHBondContact O-N 3.32Å; L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.89Å
10	I	61.7	Low	60.7	Low	122 Å²	122	115.6 Å²	115.6	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-68.2	-39.5	176.7	-61.5	158.7	0	0	0	110.4	S6 I7 A14	S6-I10 WeakPolarHBondContact O-CD1 3.2Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.95Å; I7-I10 PolarHBondContact O-N 3.25Å; I10-A14 PolarHBondContact O-N 2.84Å; I10-A14 VanDerWaalsContact O-N 3.11Å
11	H	58.4	Low	61.9	Low	128 Å²	128	111.3 Å²	111.3	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-65.6	-43	174.6	-111.3	-68.9	0	0	0	112.5	I7 C8 A14	I7-H11 PolarHBondContact O-N 2.81Å; C8-H11 PolarHBondContact O-N 3.49Å; H11-A14 PolarHBondContact O-N 2.94Å
12	F	56.4	Low	63.6	Low	159 Å²	159	106 Å²	106	70%	0.697	58%	0.578	S	S	*	*	H	α-helix	trans	-69	-34.2	177.9	-131.7	-92.8	0	0	0	112.5	C8 L9	C8-F12 WeakPolarHBondContact O-CB 3.3Å; C8-F12 PolarHBondContact O-N 3.33Å; L9-F12 PolarHBondContact O-N 3.32Å
13	A	58.6	Low	65.2	Low	61 Å²	61	99.7 Å²	99.7	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-71.2	-31.8	176.4	0	0	0	0	0	112.7	L9 E15 L16	L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.89Å; A13-E15 VanDerWaalsContact C-N 3.28Å; A13-E15 PolarHBondContact O-N 3.01Å; A13-L16 PolarHBondContact O-N 3.3Å
14	A	56.4	Low	66.5	Low	63 Å²	63	95.3 Å²	95.3	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-29.5	177	0	0	0	0	0	112.7	I10 H11 L16	I10-A14 PolarHBondContact O-N 2.84Å; I10-A14 VanDerWaalsContact O-N 3.11Å; H11-A14 PolarHBondContact O-N 2.94Å; A14-L16 VanDerWaalsContact C-N 3.33Å
15	E	53.9	Low	67.8	Low	148 Å²	148	92 Å²	92	69%	0.692	50%	0.503	S	S	*	.	H	α-helix	trans	-77	-17.1	179.1	-72	170.9	-179.7	0	0	113.2	A13	A13-E15 VanDerWaalsContact C-N 3.28Å; A13-E15 PolarHBondContact O-N 3.01Å
16	L	50.7	Low	69.5	Low	155 Å²	155	85.2 Å²	85.2	81%	0.812	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	16.8	-179	-149.6	80.2	0	0	0	113.9	A13 A14 S18	A13-L16 PolarHBondContact O-N 3.3Å; A14-L16 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 2.92Å
17	I	51.4	Low	70.9	Confident	126 Å²	126	85 Å²	85	65%	0.646	47%	0.47	S	S	*	.			trans	-89.9	90.5	171.6	-55.3	172.2	0	0	0	107	A19	I17-A19 VanDerWaalsContact C-N 3.28Å; I17-A19 PolarHBondContact O-N 3.28Å
18	S	56.5	Low	72.1	Confident	108 Å²	108	82.9 Å²	82.9	76%	0.755	46%	0.464	S	S	*	.			trans	-64.1	96.9	162	63.7	0	0	0	0	107.3	L16 E20	L16-S18 PolarHBondContact O-N 2.92Å; S18-E20 PolarHBondContact O-N 3.46Å
19	A	65.6	Low	73.6	Confident	75 Å²	75	83.5 Å²	83.5	62%	0.62	48%	0.475	S	S	*	.			trans	-63.8	108.8	-177.8	0	0	0	0	0	109.3	I17 L21	I17-A19 VanDerWaalsContact C-N 3.28Å; I17-A19 PolarHBondContact O-N 3.28Å; A19-L21 PolarHBondContact O-N 3.02Å
20	E	80.2	Confident	75.3	Confident	110 Å²	110	83.8 Å²	83.8	51%	0.514	47%	0.473	S	S	.	.			trans	-64.1	119.6	171.2	-61	-165.4	153.3	0	0	108.3	S18 Y22 K46	S18-E20 PolarHBondContact O-N 3.46Å; E20-Y22 HydrophobicContact CB-CD2 4.37Å; E20-Y22 HydrophobicContact CB-CE2 3.78Å; E20-Y22 WeakPolarHBondContact O-CD2 3.25Å; E20-Y22 PolarHBondContact OE2-OH 3.47Å; E20-K46 VanDerWaalsContact CD-CE 3.49Å; E20-K46 IonicContact OE1-NZ 2.71Å; E20-K46 PolarHBondContact OE1-NZ 3.34Å; E20-K46 VanDerWaalsContact OE2-CE 3.3Å; E20-K46 WeakPolarHBondContact OE2-CE 3.31Å; E20-K46 IonicContact OE2-NZ 2.76Å; E20-K46 PolarHBondContact OE2-NZ 3.12Å
21	L	87	Confident	76.8	Confident	25 Å²	25	82.8 Å²	82.8	13%	0.131	48%	0.477	C	S	.	.			trans	-83.6	130.5	179	-176.6	73.1	0	0	0	110.1	A19 C47 N55 N138	A19-L21 PolarHBondContact O-N 3.02Å; L21-C47 HydrophobicContact CB-CB 4.28Å; L21-C47 HydrophobicContact CD2-CB 4.23Å; L21-C47 HydrophobicContact CG-CB 4.44Å; L21-C47 WeakPolarHBondContact O-CB 3.34Å; L21-C47 PolarHBondContact O-N 2.87Å; L21-N55 HydrophobicContact CD2-CB 4.1Å; L21-N138 HydrophobicContact CD1-CB 4.38Å
22	Y	90	Very high	78.5	Confident	96 Å²	96	77.8 Å²	77.8	38%	0.376	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	172	-72.7	-102.5	0	0	0	109.8	E20 W44 K45 K46 C57	E20-Y22 HydrophobicContact CB-CD2 4.37Å; E20-Y22 HydrophobicContact CB-CE2 3.78Å; E20-Y22 WeakPolarHBondContact O-CD2 3.25Å; E20-Y22 PolarHBondContact OE2-OH 3.47Å; Y22-W44 VanDerWaalsContact CB-CE3 3.47Å; Y22-W44 HydrophobicContact CD1-CB 4.37Å; Y22-W44 HydrophobicContact CG-CE3 4.25Å; Y22-K45 WeakPolarHBondContact CA-O 3.47Å; Y22-K46 HydrophobicContact CD1-CB 4Å; Y22-K46 HydrophobicContact CE1-CB 3.59Å; Y22-K46 HydrophobicContact CE1-CG 4.17Å; Y22-K46 HydrophobicContact CE2-CG 4.39Å; Y22-C57 PolarHBondContact O-SG 2.81Å
23	C	92.9	Very high	80.2	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.014	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.1	179.9	-60.3	0	0	0	0	110.6	S25 K45 C47 C57	C23-S25 PolarHBondContact O-N 2.97Å; C23-K45 PolarHBondContact N-O 2.86Å; C23-K45 PolarHBondContact O-N 3.36Å; C23-C47 PolarHBondContact SG-SG 3.36Å; C23-C57 WeakPolarHBondContact CA-SG 3.26Å; C23-C57 HydrophobicContact CB-CB 3.72Å; C23-C57 WeakPolarHBondContact CB-SG 3.25Å; C23-C57 WeakPolarHBondContact SG-CA 3.48Å; C23-C57 WeakPolarHBondContact SG-CB 3.17Å; C23-C57 CovalentContact SG-SG 2.02Å; C23-C57 PolarHBondContact SG-SG 3.46Å
24	Y	93.7	Very high	81.8	Confident	15 Å²	15	68.9 Å²	68.9	6%	0.059	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.4	164.5	-67	-81.5	0	0	0	109.4	I37 V39 I42 W44 R72 G73 G142	Y24-I37 HydrophobicContact CD1-CD1 3.78Å; Y24-I37 HydrophobicContact CD2-CD1 4.21Å; Y24-I37 HydrophobicContact CE1-CD1 4.41Å; Y24-I37 HydrophobicContact CG-CD1 3.62Å; Y24-V39 HydrophobicContact CE1-CB 4.48Å; Y24-V39 HydrophobicContact CE2-CG1 4.22Å; Y24-V39 WeakPolarHBondContact OH-CB 3.4Å; Y24-V39 WeakPolarHBondContact OH-CG1 3.31Å; Y24-I42 HydrophobicContact CD1-CB 3.76Å; Y24-I42 HydrophobicContact CD1-CG2 3.66Å; Y24-I42 HydrophobicContact CE1-CB 4.21Å; Y24-I42 VanDerWaalsContact CE1-O 3.26Å; Y24-I42 WeakPolarHBondContact CE1-O 3.14Å; Y24-I42 HydrophobicContact CG-CG2 4.4Å; Y24-W44 AromaticContact CD1-CD1 3.73Å; Y24-W44 AromaticContact CE1-CD1 3.26Å; Y24-W44 HydrophobicContact CE1-CG 4.47Å; Y24-W44 AromaticContact CE1-NE1 3.24Å; Y24-W44 HydrophobicContact CE2-CZ2 4.49Å; Y24-W44 AromaticContact CE2-NE1 3.52Å; Y24-W44 AromaticContact CZ-CD1 3.48Å; Y24-W44 VanDerWaalsContact CZ-CD1 3.48Å; Y24-W44 AromaticContact CZ-CE2 3.87Å; Y24-W44 AromaticContact CZ-NE1 2.92Å; Y24-W44 PolarHBondContact OH-NE1 2.96Å; Y24-R72 CarbonylContact O-C 3.57Å; Y24-R72 VanDerWaalsContact O-C 3.26Å; Y24-R72 WeakPolarHBondContact O-CB 3.42Å; Y24-G73 WeakPolarHBondContact O-CA 3.28Å; Y24-G73 PolarHBondContact O-N 2.82Å; Y24-G142 VanDerWaalsContact CD2-CA 3.46Å
25	S	92.5	Very high	83.3	Confident	54 Å²	54	69.3 Å²	69.3	38%	0.378	41%	0.412	S	S	.	.			trans	-119.7	98.8	178.5	-179.8	0	0	0	0	108.7	C23 R72	C23-S25 PolarHBondContact O-N 2.97Å; S25-R72 WeakPolarHBondContact CA-O 3.29Å
26	C	95	Very high	85.1	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.034	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.8	-176.4	64.8	0	0	0	0	111.7	Q30 C33 I42 T71 R72	C26-Q30 VanDerWaalsContact CA-OE1 3.24Å; C26-C33 HydrophobicContact CB-CB 3.58Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 PolarHBondContact O-SG 3.41Å; C26-C33 WeakPolarHBondContact SG-CB 3.1Å; C26-C33 CovalentContact SG-SG 2.03Å; C26-C33 PolarHBondContact SG-SG 2.92Å; C26-I42 HydrophobicContact CB-CD1 4.19Å; C26-I42 HydrophobicContact CB-CG2 3.77Å; C26-T71 WeakPolarHBondContact O-CA 3.37Å; C26-R72 PolarHBondContact N-O 3.03Å; C26-R72 PolarHBondContact O-N 2.81Å
27	T	95.5	Very high	87.1	Confident	60 Å²	60	59.9 Å²	59.9	37%	0.368	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.4	169.5	95	0	0	0	0	108.9	A29 Q30 C33 V70 T71	T27-A29 PolarHBondContact O-N 2.9Å; T27-A29 WeakPolarHBondContact OG1-CB 3.46Å; T27-A29 PolarHBondContact OG1-N 3.46Å; T27-Q30 WeakPolarHBondContact O-CB 3.49Å; T27-Q30 PolarHBondContact O-N 3.12Å; T27-C33 VanDerWaalsContact C-SG 3.55Å; T27-C33 PolarHBondContact N-SG 3.43Å; T27-C33 WeakPolarHBondContact O-CB 3.37Å; T27-V70 CarbonylContact C-O 3.56Å; T27-V70 VanDerWaalsContact CA-O 3.3Å; T27-V70 WeakPolarHBondContact CA-O 2.9Å; T27-T71 HydrophobicContact CG2-CG2 4.45Å
28	S	95.1	Very high	89	Confident	48 Å²	48	55.8 Å²	55.8	34%	0.336	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.5	177.8	55.2	0	0	0	0	114.3	C33 T69 V70	S28-C33 VanDerWaalsContact CA-O 3.31Å; S28-C33 WeakPolarHBondContact CA-O 3.44Å; S28-T69 WeakPolarHBondContact OG-CA 3.28Å; S28-V70 PolarHBondContact N-O 2.73Å; S28-V70 PolarHBondContact OG-N 3.04Å
29	A	94.3	Very high	90.5	Very high	93 Å²	93	54 Å²	54	77%	0.769	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.8	166.5	0	0	0	0	0	112.9	T27	T27-A29 PolarHBondContact O-N 2.9Å; T27-A29 WeakPolarHBondContact OG1-CB 3.46Å; T27-A29 PolarHBondContact OG1-N 3.46Å
30	Q	94.9	Very high	91.6	Very high	106 Å²	106	60.3 Å²	60.3	50%	0.495	34%	0.344	S	S	.	.	S	Bend	trans	-94.8	138	175	-63.1	175.7	-35.4	0	0	110.5	C26 T27 G32 C33	C26-Q30 VanDerWaalsContact CA-OE1 3.24Å; T27-Q30 WeakPolarHBondContact O-CB 3.49Å; T27-Q30 PolarHBondContact O-N 3.12Å; Q30-G32 PolarHBondContact O-N 3.15Å; Q30-C33 PolarHBondContact O-N 3.29Å
31	S	94.3	Very high	92.2	Very high	101 Å²	101	59.4 Å²	59.4	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	134	176.8	52	0	0	0	0	111.3	I42	S31-I42 VanDerWaalsContact O-CD1 3.27Å; S31-I42 WeakPolarHBondContact O-CD1 3.43Å
32	G	92.9	Very high	92.5	Very high	23 Å²	23	59 Å²	59	24%	0.237	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-12.6	-177.8	0	0	0	0	0	115.1	Q30 G34 I37 D38	Q30-G32 PolarHBondContact O-N 3.15Å; G32-G34 VanDerWaalsContact C-N 3.31Å; G32-G34 PolarHBondContact O-N 2.84Å; G32-G34 VanDerWaalsContact O-N 3.14Å; G32-I37 WeakPolarHBondContact O-CA 3.4Å; G32-D38 PolarHBondContact O-N 3.11Å
33	C	93.7	Very high	92.5	Very high	3 Å²	3	62 Å²	62	2%	0.02	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-90	56.5	178.6	-163.2	0	0	0	0	112.9	C26 T27 S28 Q30 I42	C26-C33 HydrophobicContact CB-CB 3.58Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 PolarHBondContact O-SG 3.41Å; C26-C33 WeakPolarHBondContact SG-CB 3.1Å; C26-C33 CovalentContact SG-SG 2.03Å; C26-C33 PolarHBondContact SG-SG 2.92Å; T27-C33 VanDerWaalsContact C-SG 3.55Å; T27-C33 PolarHBondContact N-SG 3.43Å; T27-C33 WeakPolarHBondContact O-CB 3.37Å; S28-C33 VanDerWaalsContact CA-O 3.31Å; S28-C33 WeakPolarHBondContact CA-O 3.44Å; Q30-C33 PolarHBondContact O-N 3.29Å; C33-I42 HydrophobicContact CB-CD1 4.19Å
34	G	91.2	Very high	92.4	Very high	30 Å²	30	67.8 Å²	67.8	31%	0.309	38%	0.379	S	S	.	.	S	Bend	trans	-96.3	-169.2	176.3	0	0	0	0	0	113.1	G32 P36 I37 R72	G32-G34 VanDerWaalsContact C-N 3.31Å; G32-G34 PolarHBondContact O-N 2.84Å; G32-G34 VanDerWaalsContact O-N 3.14Å; G34-P36 VanDerWaalsContact C-C 3.44Å; G34-P36 CarbonylContact C-O 3.26Å; G34-P36 CarbonylContact O-C 3.58Å; G34-I37 PolarHBondContact O-N 3.48Å; G34-R72 PolarHBondContact O-NH1 2.9Å; G34-R72 PolarHBondContact O-NH2 2.91Å
35	D	89.1	Confident	92.2	Very high	73 Å²	73	71.2 Å²	71.2	39%	0.39	39%	0.394	S	S	.	.	S	Bend	trans	-116.5	98.7	160.8	-162.2	10.6	0	0	0	108.2	K59 I61 V70 R72	D35-K59 IonicContact OD1-NZ 3.07Å; D35-K59 PolarHBondContact OD1-NZ 2.8Å; D35-K59 IonicContact OD2-NZ 3Å; D35-K59 PolarHBondContact OD2-NZ 2.81Å; D35-I61 WeakPolarHBondContact OD2-CD1 3.41Å; D35-V70 HydrophobicContact CB-CG2 4.3Å; D35-R72 IonicContact OD1-NH2 3.66Å
36	P	91.8	Very high	92.1	Very high	96 Å²	96	72.8 Å²	72.8	62%	0.623	39%	0.394	S	S	*	.	S	Bend	cis	-80.9	160.9	12.2	33.1	-36.1	0	0	0	115	G34 N144	G34-P36 VanDerWaalsContact C-C 3.44Å; G34-P36 CarbonylContact C-O 3.26Å; G34-P36 CarbonylContact O-C 3.58Å; P36-N144 VanDerWaalsContact CA-OD1 3.31Å; P36-N144 WeakPolarHBondContact CA-OD1 3.34Å
37	I	91.5	Very high	91.7	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.046	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-72.9	138.8	169.4	-175.3	155.6	0	0	0	111	Y24 G32 G34 V39 I42 N144	Y24-I37 HydrophobicContact CD1-CD1 3.78Å; Y24-I37 HydrophobicContact CD2-CD1 4.21Å; Y24-I37 HydrophobicContact CE1-CD1 4.41Å; Y24-I37 HydrophobicContact CG-CD1 3.62Å; G32-I37 WeakPolarHBondContact O-CA 3.4Å; G34-I37 PolarHBondContact O-N 3.48Å; I37-V39 HydrophobicContact CG2-CG1 4.1Å; I37-V39 PolarHBondContact O-N 3.44Å; I37-I42 HydrophobicContact CD1-CB 3.87Å; I37-I42 HydrophobicContact CD1-CG1 3.75Å; I37-I42 HydrophobicContact CD1-CG2 4.04Å; I37-I42 HydrophobicContact CG1-CB 4.3Å; I37-I42 HydrophobicContact CG1-CG1 3.85Å; I37-N144 VanDerWaalsContact CG2-ND2 3.26Å; I37-N144 WeakPolarHBondContact CG2-ND2 3.34Å; I37-N144 WeakPolarHBondContact CG2-OD1 3.02Å; I37-N144 PolarHBondContact N-ND2 2.9Å; I37-N144 PolarHBondContact N-OD1 3.11Å; I37-N144 PolarHBondContact O-ND2 3.33Å
38	D	91.6	Very high	90.9	Very high	40 Å²	40	75.5 Å²	75.5	21%	0.214	42%	0.415	C	S	.	.			trans	-83.6	96.8	164.5	-166.2	-23.3	0	0	0	109.6	G32 R40 L41 I42	G32-D38 PolarHBondContact O-N 3.11Å; D38-R40 PolarHBondContact O-N 3.4Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.39Å; D38-R40 IonicContact OD1-CZ 2.76Å; D38-R40 PolarHBondContact OD1-N 3.37Å; D38-R40 IonicContact OD1-NE 3.56Å; D38-R40 PolarHBondContact OD1-NE 3.37Å; D38-R40 IonicContact OD1-NH2 2.89Å; D38-R40 IonicContact OD2-CZ 3.52Å; D38-R40 IonicContact OD2-NE 2.63Å; D38-R40 IonicContact OD2-NH2 3.4Å; D38-R40 PolarHBondContact OD2-NH2 3.36Å; D38-L41 HydrophobicContact CB-CB 4.46Å; D38-L41 HydrophobicContact CB-CD1 4.11Å; D38-L41 HydrophobicContact CB-CG 4.26Å; D38-L41 PolarHBondContact O-N 3.28Å; D38-L41 VanDerWaalsContact O-N 3.07Å; D38-I42 PolarHBondContact O-N 3.36Å
39	V	87.5	Confident	89.4	Confident	71 Å²	71	74.5 Å²	74.5	43%	0.43	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.4	-178.5	-62.7	0	0	0	0	114.1	Y24 I37	Y24-V39 HydrophobicContact CE1-CB 4.48Å; Y24-V39 HydrophobicContact CE2-CG1 4.22Å; Y24-V39 WeakPolarHBondContact OH-CB 3.4Å; Y24-V39 WeakPolarHBondContact OH-CG1 3.31Å; I37-V39 HydrophobicContact CG2-CG1 4.1Å; I37-V39 PolarHBondContact O-N 3.44Å
40	R	89.4	Confident	87.8	Confident	206 Å²	206	80.1 Å²	80.1	78%	0.777	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.1	179.4	-56.7	168.7	-66.3	-177.6	4	112.5	D38	D38-R40 PolarHBondContact O-N 3.4Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.39Å; D38-R40 IonicContact OD1-CZ 2.76Å; D38-R40 PolarHBondContact OD1-N 3.37Å; D38-R40 IonicContact OD1-NE 3.56Å; D38-R40 PolarHBondContact OD1-NE 3.37Å; D38-R40 IonicContact OD1-NH2 2.89Å; D38-R40 IonicContact OD2-CZ 3.52Å; D38-R40 IonicContact OD2-NE 2.63Å; D38-R40 IonicContact OD2-NH2 3.4Å; D38-R40 PolarHBondContact OD2-NH2 3.36Å
41	L	93	Very high	86	Confident	92 Å²	92	81.5 Å²	81.5	48%	0.482	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-25.2	-174.5	-62.3	179.8	0	0	0	112.9	D38	D38-L41 HydrophobicContact CB-CB 4.46Å; D38-L41 HydrophobicContact CB-CD1 4.11Å; D38-L41 HydrophobicContact CB-CG 4.26Å; D38-L41 PolarHBondContact O-N 3.28Å; D38-L41 VanDerWaalsContact O-N 3.07Å
42	I	93.1	Very high	84	Confident	16 Å²	16	84.4 Å²	84.4	8%	0.082	44%	0.437	C	S	.	.	S	Bend	trans	-104.6	136.2	-175.2	-49.1	-58.6	0	0	0	110.4	Y24 C26 S31 C33 I37 D38	Y24-I42 HydrophobicContact CD1-CB 3.76Å; Y24-I42 HydrophobicContact CD1-CG2 3.66Å; Y24-I42 HydrophobicContact CE1-CB 4.21Å; Y24-I42 VanDerWaalsContact CE1-O 3.26Å; Y24-I42 WeakPolarHBondContact CE1-O 3.14Å; Y24-I42 HydrophobicContact CG-CG2 4.4Å; C26-I42 HydrophobicContact CB-CD1 4.19Å; C26-I42 HydrophobicContact CB-CG2 3.77Å; S31-I42 VanDerWaalsContact O-CD1 3.27Å; S31-I42 WeakPolarHBondContact O-CD1 3.43Å; C33-I42 HydrophobicContact CB-CD1 4.19Å; I37-I42 HydrophobicContact CD1-CB 3.87Å; I37-I42 HydrophobicContact CD1-CG1 3.75Å; I37-I42 HydrophobicContact CD1-CG2 4.04Å; I37-I42 HydrophobicContact CG1-CB 4.3Å; I37-I42 HydrophobicContact CG1-CG1 3.85Å; D38-I42 PolarHBondContact O-N 3.36Å
43	H	89.7	Confident	82.6	Confident	159 Å²	159	85.4 Å²	85.4	74%	0.736	44%	0.436	S	S	*	.			trans	-88.2	152.4	177.1	-59.4	-62.5	0	0	0	112.6
44	W	89.7	Confident	81.4	Confident	123 Å²	123	89.4 Å²	89.4	47%	0.466	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.5	173.1	-67	29.2	0	0	0	109.1	Y22 Y24 W140	Y22-W44 VanDerWaalsContact CB-CE3 3.47Å; Y22-W44 HydrophobicContact CD1-CB 4.37Å; Y22-W44 HydrophobicContact CG-CE3 4.25Å; Y24-W44 AromaticContact CD1-CD1 3.73Å; Y24-W44 AromaticContact CE1-CD1 3.26Å; Y24-W44 HydrophobicContact CE1-CG 4.47Å; Y24-W44 AromaticContact CE1-NE1 3.24Å; Y24-W44 HydrophobicContact CE2-CZ2 4.49Å; Y24-W44 AromaticContact CE2-NE1 3.52Å; Y24-W44 AromaticContact CZ-CD1 3.48Å; Y24-W44 VanDerWaalsContact CZ-CD1 3.48Å; Y24-W44 AromaticContact CZ-CE2 3.87Å; Y24-W44 AromaticContact CZ-NE1 2.92Å; Y24-W44 PolarHBondContact OH-NE1 2.96Å; W44-W140 HydrophobicContact CH2-CB 3.28Å; W44-W140 HydrophobicContact CZ2-CB 3.64Å; W44-W140 HydrophobicContact CZ3-CB 4.4Å
45	K	91	Very high	81	Confident	88 Å²	88	92.7 Å²	92.7	38%	0.383	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.5	173.2	-175.5	-169.2	173.9	-167	0	108.4	Y22 C23 C47 D77	Y22-K45 WeakPolarHBondContact CA-O 3.47Å; C23-K45 PolarHBondContact N-O 2.86Å; C23-K45 PolarHBondContact O-N 3.36Å; K45-C47 PolarHBondContact O-N 3.38Å; K45-D77 IonicContact NZ-OD2 2.77Å; K45-D77 PolarHBondContact NZ-OD2 2.92Å
46	K	89.2	Confident	81	Confident	86 Å²	86	91.7 Å²	91.7	37%	0.374	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130.1	170.2	-173.5	172.9	179.6	161.8	0	109.6	E20 Y22 S48	E20-K46 VanDerWaalsContact CD-CE 3.49Å; E20-K46 IonicContact OE1-NZ 2.71Å; E20-K46 PolarHBondContact OE1-NZ 3.34Å; E20-K46 VanDerWaalsContact OE2-CE 3.3Å; E20-K46 WeakPolarHBondContact OE2-CE 3.31Å; E20-K46 IonicContact OE2-NZ 2.76Å; E20-K46 PolarHBondContact OE2-NZ 3.12Å; Y22-K46 HydrophobicContact CD1-CB 4Å; Y22-K46 HydrophobicContact CE1-CB 3.59Å; Y22-K46 HydrophobicContact CE1-CG 4.17Å; Y22-K46 HydrophobicContact CE2-CG 4.39Å; K46-S48 PolarHBondContact O-N 2.58Å
47	C	88.3	Confident	81.1	Confident	20 Å²	20	87.4 Å²	87.4	14%	0.135	43%	0.429	C	S	.	.			trans	-81.3	99.8	175	-59.7	0	0	0	0	109.7	L21 C23 K45 G49 C74	L21-C47 HydrophobicContact CB-CB 4.28Å; L21-C47 HydrophobicContact CD2-CB 4.23Å; L21-C47 HydrophobicContact CG-CB 4.44Å; L21-C47 WeakPolarHBondContact O-CB 3.34Å; L21-C47 PolarHBondContact O-N 2.87Å; C23-C47 PolarHBondContact SG-SG 3.36Å; K45-C47 PolarHBondContact O-N 3.38Å; C47-G49 PolarHBondContact O-N 3.44Å; C47-G49 VanDerWaalsContact O-N 3.1Å; C47-C74 WeakPolarHBondContact CA-SG 3.25Å; C47-C74 HydrophobicContact CB-CB 3.66Å; C47-C74 WeakPolarHBondContact CB-SG 3.3Å; C47-C74 WeakPolarHBondContact SG-CB 3.45Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 3.23Å
48	S	77.7	Confident	81.2	Confident	102 Å²	102	87 Å²	87	71%	0.713	43%	0.427	S	S	*	.			trans	-81.1	25.2	-179.9	-44.3	0	0	0	0	113.2	K46	K46-S48 PolarHBondContact O-N 2.58Å
49	G	64.4	Low	81.3	Confident	28 Å²	28	85.2 Å²	85.2	29%	0.289	42%	0.417	S	S	.	.			trans	-60.4	149.8	-175.9	0	0	0	0	0	112.6	C47 T51	C47-G49 PolarHBondContact O-N 3.44Å; C47-G49 VanDerWaalsContact O-N 3.1Å; G49-T51 PolarHBondContact O-N 3.39Å
50	R	60.2	Low	81.6	Confident	211 Å²	211	81.9 Å²	81.9	80%	0.796	40%	0.397	S	S	*	.			trans	-56.1	125.9	163.9	-72.4	-171.5	-175	-172.6	2.3	107.1	L52 I53	R50-L52 PolarHBondContact O-N 3.42Å; R50-I53 PolarHBondContact O-N 3.04Å
51	T	55.9	Low	81.8	Confident	135 Å²	135	73 Å²	73	83%	0.828	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-10.5	-178.7	47	0	0	0	0	115	G49 I53	G49-T51 PolarHBondContact O-N 3.39Å; T51-I53 VanDerWaalsContact C-N 3.34Å
52	L	53.7	Low	81.7	Confident	161 Å²	161	70.6 Å²	70.6	84%	0.843	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-16	172.5	-98.6	92.5	0	0	0	114.9	R50	R50-L52 PolarHBondContact O-N 3.42Å
53	I	62.8	Low	81.6	Confident	44 Å²	44	71.4 Å²	71.4	23%	0.226	35%	0.354	C	S	.	.	S	Bend	trans	-106.9	128.5	-174.4	-52.9	176.7	0	0	0	108.2	R50 T51 N55 I79	R50-I53 PolarHBondContact O-N 3.04Å; T51-I53 VanDerWaalsContact C-N 3.34Å; I53-N55 PolarHBondContact O-N 3.31Å; I53-I79 HydrophobicContact CD1-CG2 4.33Å; I53-I79 HydrophobicContact CG2-CD1 3.75Å
54	E	69.2	Low	81.7	Confident	87 Å²	87	67.1 Å²	67.1	41%	0.407	34%	0.339	S	S	.	.			trans	-41.6	134.7	-174	-57.4	157.4	147.2	0	0	113	Y56 L75 R92	E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 HydrophobicContact CB-CD2 3.62Å; E54-Y56 HydrophobicContact CB-CE2 3.86Å; E54-Y56 HydrophobicContact CG-CE2 4.49Å; E54-Y56 PolarHBondContact O-N 2.82Å; E54-L75 HydrophobicContact CB-CD2 3.97Å; E54-R92 WeakPolarHBondContact OE2-CD 3.39Å; E54-R92 IonicContact OE2-CZ 2.94Å; E54-R92 IonicContact OE2-NE 3.85Å; E54-R92 IonicContact OE2-NH1 2.79Å; E54-R92 PolarHBondContact OE2-NH1 2.69Å
55	N	82.3	Confident	81.7	Confident	99 Å²	99	68.5 Å²	68.5	53%	0.529	35%	0.35	S	S	.	.			trans	-78.5	73.4	-177.9	-71.6	-27.3	0	0	0	111.3	L21 I53	L21-N55 HydrophobicContact CD2-CB 4.1Å; I53-N55 PolarHBondContact O-N 3.31Å
56	Y	90.2	Very high	81.5	Confident	53 Å²	53	71.9 Å²	71.9	21%	0.208	37%	0.372	C	S	.	.			trans	-123.7	143	174.6	-66.8	-64.5	0	0	0	112.9	E54 L75 H94 C137 N138	E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 HydrophobicContact CB-CD2 3.62Å; E54-Y56 HydrophobicContact CB-CE2 3.86Å; E54-Y56 HydrophobicContact CG-CE2 4.49Å; E54-Y56 PolarHBondContact O-N 2.82Å; Y56-L75 HydrophobicContact CD2-CD2 4.09Å; Y56-L75 WeakPolarHBondContact O-CB 3.48Å; Y56-L75 PolarHBondContact O-N 3.29Å; Y56-H94 HydrophobicContact CE1-CB 4.13Å; Y56-C137 CarbonylContact C-O 3.54Å; Y56-C137 WeakPolarHBondContact CA-O 3.03Å; Y56-N138 HydrophobicContact CD1-CB 4.13Å; Y56-N138 HydrophobicContact CE1-CB 4.34Å
57	C	92.6	Very high	81.6	Confident	6 Å²	6	74.8 Å²	74.8	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.8	154.6	-52.5	0	0	0	0	109.3	Y22 C23 G73 Y136 C137	Y22-C57 PolarHBondContact O-SG 2.81Å; C23-C57 WeakPolarHBondContact CA-SG 3.26Å; C23-C57 HydrophobicContact CB-CB 3.72Å; C23-C57 WeakPolarHBondContact CB-SG 3.25Å; C23-C57 WeakPolarHBondContact SG-CA 3.48Å; C23-C57 WeakPolarHBondContact SG-CB 3.17Å; C23-C57 CovalentContact SG-SG 2.02Å; C23-C57 PolarHBondContact SG-SG 3.46Å; C57-G73 WeakPolarHBondContact CA-O 3.5Å; C57-Y136 WeakPolarHBondContact O-CA 3.31Å; C57-C137 WeakPolarHBondContact CA-O 3.49Å; C57-C137 WeakPolarHBondContact CB-O 3.37Å; C57-C137 PolarHBondContact N-O 3.16Å; C57-C137 PolarHBondContact O-N 3.11Å
58	V	93.5	Very high	81.8	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.006	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.9	177	178.3	0	0	0	0	109.4	R72 G73 L75 L78 F134 C135 Y136	V58-R72 VanDerWaalsContact O-CA 3.26Å; V58-R72 WeakPolarHBondContact O-CA 3.04Å; V58-G73 PolarHBondContact N-O 3.44Å; V58-G73 PolarHBondContact O-N 2.99Å; V58-G73 VanDerWaalsContact O-N 3.07Å; V58-L75 HydrophobicContact CG2-CB 3.8Å; V58-L75 HydrophobicContact CG2-CD1 3.68Å; V58-L75 HydrophobicContact CG2-CG 4.31Å; V58-L78 HydrophobicContact CB-CD2 4.18Å; V58-L78 HydrophobicContact CG1-CD2 3.89Å; V58-F134 HydrophobicContact CG1-CD1 3.91Å; V58-C135 CarbonylContact C-O 3.15Å; V58-C135 VanDerWaalsContact CA-O 3.32Å; V58-C135 WeakPolarHBondContact CA-O 3.03Å; V58-Y136 HydrophobicContact CG2-CD1 3.81Å; V58-Y136 HydrophobicContact CG2-CE1 3.8Å
59	K	94.2	Very high	82.6	Confident	1 Å²	1	75 Å²	75	0%	0.004	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	110.1	159.4	175.7	-175.6	71	171	0	108	D35 I61 V70 T71 R72 C135 C143	D35-K59 IonicContact OD1-NZ 3.07Å; D35-K59 PolarHBondContact OD1-NZ 2.8Å; D35-K59 IonicContact OD2-NZ 3Å; D35-K59 PolarHBondContact OD2-NZ 2.81Å; K59-I61 HydrophobicContact CD-CD1 4.48Å; K59-I61 HydrophobicContact CD-CG1 4.41Å; K59-I61 HydrophobicContact CG-CG1 4.24Å; K59-V70 HydrophobicContact CD-CG1 4.2Å; K59-V70 HydrophobicContact CG-CG1 3.79Å; K59-T71 CarbonylContact C-O 3.56Å; K59-T71 WeakPolarHBondContact CA-O 3.4Å; K59-R72 HydrophobicContact CB-CG 4.04Å; K59-R72 HydrophobicContact CG-CG 4.11Å; K59-C135 HydrophobicContact CB-CB 4.16Å; K59-C135 VanDerWaalsContact CE-SG 3.56Å; K59-C135 PolarHBondContact N-O 3.29Å; K59-C135 PolarHBondContact O-N 3.34Å; K59-C143 HydrophobicContact CB-CB 3.85Å; K59-C143 WeakPolarHBondContact CE-O 3.37Å; K59-C143 PolarHBondContact NZ-O 3.38Å
60	L	94	Very high	84	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.7	170.7	171.7	60.8	0	0	0	108.8	V70 T71 Y84 K132 R133 F134	L60-V70 CarbonylContact O-C 3.16Å; L60-V70 WeakPolarHBondContact O-CA 3.47Å; L60-T71 PolarHBondContact N-O 2.78Å; L60-T71 PolarHBondContact O-N 2.76Å; L60-Y84 HydrophobicContact CD2-CD1 3.65Å; L60-Y84 HydrophobicContact CD2-CE1 3.31Å; L60-K132 HydrophobicContact CD1-CB 4.28Å; L60-R133 CarbonylContact C-O 3.59Å; L60-R133 WeakPolarHBondContact CA-O 3.33Å; L60-F134 HydrophobicContact CB-CD1 4.49Å; L60-F134 HydrophobicContact CD1-CD1 4.08Å; L60-F134 HydrophobicContact CD1-CD2 4.21Å; L60-F134 HydrophobicContact CD1-CE1 3.81Å; L60-F134 HydrophobicContact CD1-CE2 3.95Å; L60-F134 HydrophobicContact CD1-CG 4.28Å; L60-F134 HydrophobicContact CD1-CZ 3.75Å; L60-F134 HydrophobicContact CD2-CE1 4.38Å; L60-F134 HydrophobicContact CG-CE1 4.46Å
61	I	92.5	Very high	85.7	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118	170.3	-54.7	171.4	0	0	0	106.4	D35 K59 T68 F131 K132 R133	D35-I61 WeakPolarHBondContact OD2-CD1 3.41Å; K59-I61 HydrophobicContact CD-CD1 4.48Å; K59-I61 HydrophobicContact CD-CG1 4.41Å; K59-I61 HydrophobicContact CG-CG1 4.24Å; I61-T68 HydrophobicContact CG2-CG2 3.67Å; I61-F131 HydrophobicContact CG2-CE2 4.15Å; I61-K132 CarbonylContact O-C 3.57Å; I61-K132 WeakPolarHBondContact O-CA 3.5Å; I61-R133 HydrophobicContact CB-CB 4.5Å; I61-R133 PolarHBondContact N-O 2.69Å; I61-R133 PolarHBondContact O-N 2.75Å
62	E	92.4	Very high	87.5	Confident	43 Å²	43	59.1 Å²	59.1	20%	0.201	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.3	176.5	175.5	172.4	-142.3	0	0	108.5	V64 T68 T69 F131 K132	E62-V64 HydrophobicContact CG-CG2 4.02Å; E62-T68 CarbonylContact O-C 3.53Å; E62-T68 WeakPolarHBondContact O-CA 3.46Å; E62-T69 PolarHBondContact N-O 2.72Å; E62-T69 PolarHBondContact O-N 3.11Å; E62-T69 PolarHBondContact O-OG1 3.42Å; E62-F131 WeakPolarHBondContact CA-O 3.26Å; E62-K132 HydrophobicContact CB-CG 4.11Å; E62-K132 HydrophobicContact CG-CG 3.88Å; E62-K132 WeakPolarHBondContact OE1-CE 3.3Å; E62-K132 IonicContact OE1-NZ 3.67Å
63	K	90.9	Very high	89.4	Confident	32 Å²	32	51.6 Å²	51.6	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.5	173.2	-178.2	171.9	-178.3	159.9	0	108.7	Q65 Q67 E127 D130 F131	K63-Q65 WeakPolarHBondContact CE-O 3.24Å; K63-Q67 WeakPolarHBondContact CA-O 3.44Å; K63-E127 WeakPolarHBondContact CE-O 3.23Å; K63-E127 PolarHBondContact NZ-O 2.88Å; K63-D130 VanDerWaalsContact O-CA 3.28Å; K63-D130 WeakPolarHBondContact O-CA 3.29Å; K63-D130 WeakPolarHBondContact O-CB 3.11Å; K63-F131 HydrophobicContact CB-CD1 3.86Å; K63-F131 HydrophobicContact CB-CE1 3.66Å; K63-F131 HydrophobicContact CB-CE2 4.5Å; K63-F131 HydrophobicContact CB-CG 4.37Å; K63-F131 HydrophobicContact CB-CZ 4Å; K63-F131 HydrophobicContact CD-CD1 4.19Å; K63-F131 HydrophobicContact CD-CE1 3.65Å; K63-F131 HydrophobicContact CD-CZ 4.46Å; K63-F131 HydrophobicContact CG-CE1 4.25Å; K63-F131 PolarHBondContact N-O 2.91Å; K63-F131 PolarHBondContact O-N 3.39Å; K63-F131 VanDerWaalsContact O-N 3.11Å
64	V	91.1	Very high	90.7	Very high	70 Å²	70	49.5 Å²	49.5	42%	0.424	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.6	172.3	-177.6	0	0	0	0	107.1	E62 D66 Q67 D130	E62-V64 HydrophobicContact CG-CG2 4.02Å; V64-D66 PolarHBondContact O-N 2.03Å; V64-Q67 PolarHBondContact N-O 2.82Å; V64-Q67 PolarHBondContact O-N 3.07Å; V64-D130 WeakPolarHBondContact CA-OD1 3.46Å
65	Q	88.8	Confident	91.8	Very high	152 Å²	152	45.4 Å²	45.4	71%	0.71	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-123.6	-171.6	-57.2	175.6	-27	0	0	110.6	K63 Q67 D130	K63-Q65 WeakPolarHBondContact CE-O 3.24Å; Q65-Q67 VanDerWaalsContact C-N 3.34Å; Q65-D130 PolarHBondContact N-OD1 3.22Å
66	D	87.4	Confident	92.1	Very high	158 Å²	158	41.2 Å²	41.2	85%	0.845	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	2.8	178.4	-66.7	-37.4	0	0	0	113.5	V64	V64-D66 PolarHBondContact O-N 2.03Å
67	Q	91.3	Very high	92	Very high	147 Å²	147	41.4 Å²	41.4	69%	0.687	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	130.2	179.7	-64.7	-167.1	-2.9	0	0	111.3	K63 V64 Q65	K63-Q67 WeakPolarHBondContact CA-O 3.44Å; V64-Q67 PolarHBondContact N-O 2.82Å; V64-Q67 PolarHBondContact O-N 3.07Å; Q65-Q67 VanDerWaalsContact C-N 3.34Å
68	T	92.2	Very high	91.9	Very high	77 Å²	77	41.9 Å²	41.9	47%	0.472	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.5	172.2	-57.1	0	0	0	0	109.1	I61 E62	I61-T68 HydrophobicContact CG2-CG2 3.67Å; E62-T68 CarbonylContact O-C 3.53Å; E62-T68 WeakPolarHBondContact O-CA 3.46Å
69	T	94.7	Very high	91.6	Very high	50 Å²	50	43 Å²	43	31%	0.307	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.4	172.6	65.1	0	0	0	0	109.8	S28 E62	S28-T69 WeakPolarHBondContact OG-CA 3.28Å; E62-T69 PolarHBondContact N-O 2.72Å; E62-T69 PolarHBondContact O-N 3.11Å; E62-T69 PolarHBondContact O-OG1 3.42Å
70	V	94.8	Very high	91.3	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.4	177.2	-174.2	0	0	0	0	108.3	T27 S28 D35 K59 L60	T27-V70 CarbonylContact C-O 3.56Å; T27-V70 VanDerWaalsContact CA-O 3.3Å; T27-V70 WeakPolarHBondContact CA-O 2.9Å; S28-V70 PolarHBondContact N-O 2.73Å; S28-V70 PolarHBondContact OG-N 3.04Å; D35-V70 HydrophobicContact CB-CG2 4.3Å; K59-V70 HydrophobicContact CD-CG1 4.2Å; K59-V70 HydrophobicContact CG-CG1 3.79Å; L60-V70 CarbonylContact O-C 3.16Å; L60-V70 WeakPolarHBondContact O-CA 3.47Å
71	T	94.9	Very high	91	Very high	26 Å²	26	53.6 Å²	53.6	16%	0.16	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	176.1	-60.5	0	0	0	0	108.9	C26 T27 K59 L60	C26-T71 WeakPolarHBondContact O-CA 3.37Å; T27-T71 HydrophobicContact CG2-CG2 4.45Å; K59-T71 CarbonylContact C-O 3.56Å; K59-T71 WeakPolarHBondContact CA-O 3.4Å; L60-T71 PolarHBondContact N-O 2.78Å; L60-T71 PolarHBondContact O-N 2.76Å
72	R	94.3	Very high	90.7	Very high	7 Å²	7	56.5 Å²	56.5	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.2	175.1	-69.3	-175.5	178.8	77.8	-4.6	110.6	Y24 S25 C26 G34 D35 V58 K59 G142 N144	Y24-R72 CarbonylContact O-C 3.57Å; Y24-R72 VanDerWaalsContact O-C 3.26Å; Y24-R72 WeakPolarHBondContact O-CB 3.42Å; S25-R72 WeakPolarHBondContact CA-O 3.29Å; C26-R72 PolarHBondContact N-O 3.03Å; C26-R72 PolarHBondContact O-N 2.81Å; G34-R72 PolarHBondContact O-NH1 2.9Å; G34-R72 PolarHBondContact O-NH2 2.91Å; D35-R72 IonicContact OD1-NH2 3.66Å; V58-R72 VanDerWaalsContact O-CA 3.26Å; V58-R72 WeakPolarHBondContact O-CA 3.04Å; K59-R72 HydrophobicContact CB-CG 4.04Å; K59-R72 HydrophobicContact CG-CG 4.11Å; R72-G142 WeakPolarHBondContact CD-O 3.49Å; R72-G142 PolarHBondContact NE-O 3.02Å; R72-N144 PolarHBondContact NH2-OD1 2.99Å
73	G	92.7	Very high	90.5	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-173.6	175.5	0	0	0	0	0	113.3	Y24 C57 V58	Y24-G73 WeakPolarHBondContact O-CA 3.28Å; Y24-G73 PolarHBondContact O-N 2.82Å; C57-G73 WeakPolarHBondContact CA-O 3.5Å; V58-G73 PolarHBondContact N-O 3.44Å; V58-G73 PolarHBondContact O-N 2.99Å; V58-G73 VanDerWaalsContact O-N 3.07Å
74	C	91.6	Very high	90.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136	172.7	-60	0	0	0	0	110.3	C47 S76 D77 L78	C47-C74 WeakPolarHBondContact CA-SG 3.25Å; C47-C74 HydrophobicContact CB-CB 3.66Å; C47-C74 WeakPolarHBondContact CB-SG 3.3Å; C47-C74 WeakPolarHBondContact SG-CB 3.45Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 3.23Å; C74-S76 WeakPolarHBondContact CB-OG 3.37Å; C74-S76 PolarHBondContact O-N 3.4Å; C74-D77 HydrophobicContact CB-CB 4.29Å; C74-D77 PolarHBondContact O-N 3.33Å; C74-L78 WeakPolarHBondContact O-CD1 3.24Å; C74-L78 PolarHBondContact O-N 3.4Å; C74-L78 VanDerWaalsContact O-N 3.16Å
75	L	91.6	Very high	90.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-39.5	174.6	177.8	57.9	0	0	0	111.8	E54 Y56 V58 D77 L78 I79 M88 Y136	E54-L75 HydrophobicContact CB-CD2 3.97Å; Y56-L75 HydrophobicContact CD2-CD2 4.09Å; Y56-L75 WeakPolarHBondContact O-CB 3.48Å; Y56-L75 PolarHBondContact O-N 3.29Å; V58-L75 HydrophobicContact CG2-CB 3.8Å; V58-L75 HydrophobicContact CG2-CD1 3.68Å; V58-L75 HydrophobicContact CG2-CG 4.31Å; L75-D77 PolarHBondContact O-N 3.36Å; L75-L78 PolarHBondContact O-N 2.94Å; L75-I79 HydrophobicContact CD1-CD1 3.66Å; L75-I79 HydrophobicContact CD1-CG1 3.91Å; L75-I79 HydrophobicContact CD2-CD1 4.43Å; L75-I79 HydrophobicContact CG-CD1 3.82Å; L75-I79 HydrophobicContact CG-CG1 4.43Å; L75-I79 WeakPolarHBondContact O-CB 3.4Å; L75-I79 PolarHBondContact O-N 3.38Å; L75-M88 HydrophobicContact CD1-CE 3.63Å; L75-M88 HydrophobicContact CD1-SD 3.37Å; L75-M88 WeakPolarHBondContact CD1-SD 2.74Å; L75-Y136 HydrophobicContact CD1-CE1 4.05Å
76	S	88.5	Confident	90.6	Very high	12 Å²	12	60.3 Å²	60.3	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-55.5	-37.6	176.3	58.3	0	0	0	0	113.2	C74 M80	C74-S76 WeakPolarHBondContact CB-OG 3.37Å; C74-S76 PolarHBondContact O-N 3.4Å; S76-M80 WeakPolarHBondContact O-CG 3.32Å
77	D	89.1	Confident	90.8	Very high	57 Å²	57	53.4 Å²	53.4	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-80.1	-41.8	-176.6	-64.3	1.4	0	0	0	109.9	K45 C74 L75 M80	K45-D77 IonicContact NZ-OD2 2.77Å; K45-D77 PolarHBondContact NZ-OD2 2.92Å; C74-D77 HydrophobicContact CB-CB 4.29Å; C74-D77 PolarHBondContact O-N 3.33Å; L75-D77 PolarHBondContact O-N 3.36Å; D77-M80 PolarHBondContact O-N 3.24Å
78	L	89.2	Confident	90.8	Very high	15 Å²	15	46.6 Å²	46.6	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-38.9	179.5	-89.1	74.9	0	0	0	112.3	V58 C74 L75 M80 N81 Y84 M88	V58-L78 HydrophobicContact CB-CD2 4.18Å; V58-L78 HydrophobicContact CG1-CD2 3.89Å; C74-L78 WeakPolarHBondContact O-CD1 3.24Å; C74-L78 PolarHBondContact O-N 3.4Å; C74-L78 VanDerWaalsContact O-N 3.16Å; L75-L78 PolarHBondContact O-N 2.94Å; L78-M80 PolarHBondContact O-N 3.07Å; L78-N81 WeakPolarHBondContact O-CB 3.5Å; L78-N81 PolarHBondContact O-N 3.44Å; L78-Y84 HydrophobicContact CG-CD2 4.22Å; L78-M88 HydrophobicContact CB-CE 4.17Å
79	I	88.3	Confident	90.7	Very high	24 Å²	24	43 Å²	43	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-26.7	178.4	-81.8	175.3	0	0	0	112.4	I53 L75 N81 R85 M88	I53-I79 HydrophobicContact CD1-CG2 4.33Å; I53-I79 HydrophobicContact CG2-CD1 3.75Å; L75-I79 HydrophobicContact CD1-CD1 3.66Å; L75-I79 HydrophobicContact CD1-CG1 3.91Å; L75-I79 HydrophobicContact CD2-CD1 4.43Å; L75-I79 HydrophobicContact CG-CD1 3.82Å; L75-I79 HydrophobicContact CG-CG1 4.43Å; L75-I79 WeakPolarHBondContact O-CB 3.4Å; L75-I79 PolarHBondContact O-N 3.38Å; I79-N81 PolarHBondContact O-N 3.4Å; I79-R85 WeakPolarHBondContact O-CB 3.37Å; I79-R85 WeakPolarHBondContact O-CD 3.46Å; I79-M88 HydrophobicContact CD1-SD 4.04Å; I79-M88 HydrophobicContact CG1-CE 3.95Å; I79-M88 HydrophobicContact CG1-SD 3.74Å
80	M	86.6	Confident	90.1	Very high	152 Å²	152	47.5 Å²	47.5	75%	0.749	24%	0.235	S	C	*	.	H	α-helix	trans	-70.4	-20.7	176.1	-67.7	-65.3	-66.6	0	0	112.3	S76 D77 L78	S76-M80 WeakPolarHBondContact O-CG 3.32Å; D77-M80 PolarHBondContact O-N 3.24Å; L78-M80 PolarHBondContact O-N 3.07Å
81	N	88.5	Confident	89.6	Confident	73 Å²	73	52.7 Å²	52.7	39%	0.39	26%	0.261	S	S	.	.	S	Bend	trans	-85	117.6	171.7	-173.8	-35.7	0	0	0	110	L78 I79 Q83 Y84 R85	L78-N81 WeakPolarHBondContact O-CB 3.5Å; L78-N81 PolarHBondContact O-N 3.44Å; I79-N81 PolarHBondContact O-N 3.4Å; N81-Q83 PolarHBondContact O-N 3.01Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.38Å; N81-Q83 PolarHBondContact OD1-N 3.3Å; N81-Y84 HydrophobicContact CB-CD2 3.8Å; N81-Y84 PolarHBondContact O-N 3.43Å; N81-R85 WeakPolarHBondContact O-CB 2.92Å; N81-R85 PolarHBondContact O-N 3.42Å
82	T	86.6	Confident	89.2	Confident	81 Å²	81	54 Å²	54	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-37.6	-178	-56.5	0	0	0	0	113.3	R85 L86	T82-R85 PolarHBondContact O-N 2.93Å; T82-L86 HydrophobicContact CG2-CD1 4Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CG 3.09Å; T82-L86 PolarHBondContact O-N 2.9Å
83	Q	88.2	Confident	88.9	Confident	112 Å²	112	60.4 Å²	60.4	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-50.3	-179	-174.7	176.5	-39.5	0	0	110.8	N81 R85	N81-Q83 PolarHBondContact O-N 3.01Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.38Å; N81-Q83 PolarHBondContact OD1-N 3.3Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.29Å
84	Y	90.7	Very high	88.6	Confident	48 Å²	48	63.4 Å²	63.4	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-35.6	177.5	-62.6	-49.4	0	0	0	112.3	L60 L78 N81 L86 D87 M88	L60-Y84 HydrophobicContact CD2-CD1 3.65Å; L60-Y84 HydrophobicContact CD2-CE1 3.31Å; L78-Y84 HydrophobicContact CG-CD2 4.22Å; N81-Y84 HydrophobicContact CB-CD2 3.8Å; N81-Y84 PolarHBondContact O-N 3.43Å; Y84-L86 PolarHBondContact O-N 2.79Å; Y84-D87 PolarHBondContact O-N 2.95Å; Y84-M88 VanDerWaalsContact O-CB 3.32Å; Y84-M88 WeakPolarHBondContact O-CB 3.44Å; Y84-M88 PolarHBondContact O-N 3.43Å
85	R	89.7	Confident	88.3	Confident	126 Å²	126	66.1 Å²	66.1	48%	0.475	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-39.6	-178.3	-175.2	178.2	62.6	93.4	0.2	113.1	I79 N81 T82 Q83	I79-R85 WeakPolarHBondContact O-CB 3.37Å; I79-R85 WeakPolarHBondContact O-CD 3.46Å; N81-R85 WeakPolarHBondContact O-CB 2.92Å; N81-R85 PolarHBondContact O-N 3.42Å; T82-R85 PolarHBondContact O-N 2.93Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.29Å
86	L	91.1	Very high	88	Confident	90 Å²	90	71.9 Å²	71.9	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-72.9	-39.1	-178.5	-67.9	173.9	0	0	0	111.7	T82 Y84 M88	T82-L86 HydrophobicContact CG2-CD1 4Å; T82-L86 HydrophobicContact CG2-CG 4.39Å; T82-L86 WeakPolarHBondContact O-CG 3.09Å; T82-L86 PolarHBondContact O-N 2.9Å; Y84-L86 PolarHBondContact O-N 2.79Å; L86-M88 VanDerWaalsContact C-N 3.28Å; L86-M88 PolarHBondContact O-N 2.79Å
87	D	92.2	Very high	87.9	Confident	13 Å²	13	72.7 Å²	72.7	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-75.3	-18.4	179.6	-63.2	4.9	0	0	0	112.6	Y84 S100 R101 K132 F134	Y84-D87 PolarHBondContact O-N 2.95Å; D87-S100 CarbonylContact O-C 3.51Å; D87-S100 VanDerWaalsContact O-CA 3.25Å; D87-S100 WeakPolarHBondContact O-CA 3.37Å; D87-S100 VanDerWaalsContact O-CB 3.31Å; D87-S100 WeakPolarHBondContact O-CB 3.32Å; D87-R101 PolarHBondContact O-N 3.47Å; D87-K132 WeakPolarHBondContact OD2-CD 3.4Å; D87-K132 IonicContact OD2-NZ 3.55Å; D87-K132 PolarHBondContact OD2-NZ 3.39Å; D87-F134 HydrophobicContact CB-CE2 4.28Å; D87-F134 HydrophobicContact CB-CZ 4.22Å
88	M	91.2	Very high	87.8	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.025	34%	0.344	C	S	.	.			trans	-68.3	131.1	-171.3	-161.3	171.5	-76.7	0	0	111.9	L75 L78 I79 Y84 L86 F134 Y136	L75-M88 HydrophobicContact CD1-CE 3.63Å; L75-M88 HydrophobicContact CD1-SD 3.37Å; L75-M88 WeakPolarHBondContact CD1-SD 2.74Å; L78-M88 HydrophobicContact CB-CE 4.17Å; I79-M88 HydrophobicContact CD1-SD 4.04Å; I79-M88 HydrophobicContact CG1-CE 3.95Å; I79-M88 HydrophobicContact CG1-SD 3.74Å; Y84-M88 VanDerWaalsContact O-CB 3.32Å; Y84-M88 WeakPolarHBondContact O-CB 3.44Å; Y84-M88 PolarHBondContact O-N 3.43Å; L86-M88 VanDerWaalsContact C-N 3.28Å; L86-M88 PolarHBondContact O-N 2.79Å; M88-F134 HydrophobicContact CE-CD1 4.27Å; M88-F134 HydrophobicContact CE-CE1 4.04Å; M88-F134 HydrophobicContact CG-CD1 4.35Å; M88-F134 HydrophobicContact CG-CE1 4.41Å; M88-Y136 WeakPolarHBondContact CG-OH 3.34Å; M88-Y136 HydrophobicContact SD-CE1 4.47Å
89	P	89.4	Confident	87.7	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.006	34%	0.341	C	S	.	.			trans	-66.6	153.8	176.5	25.4	-32.3	0	0	0	112	R92 V98 F134 Y136	P89-R92 PolarHBondContact O-NE 3.18Å; P89-V98 HydrophobicContact CB-CB 4.13Å; P89-V98 HydrophobicContact CB-CG1 3.62Å; P89-V98 HydrophobicContact CG-CB 3.84Å; P89-V98 HydrophobicContact CG-CG1 3.89Å; P89-F134 VanDerWaalsContact CD-CD2 3.46Å; P89-F134 HydrophobicContact CG-CB 4.18Å; P89-F134 HydrophobicContact CG-CD2 4.29Å; P89-F134 HydrophobicContact CG-CG 4.48Å; P89-Y136 WeakPolarHBondContact CD-OH 3.07Å; P89-Y136 HydrophobicContact CG-CE2 4.13Å; P89-Y136 WeakPolarHBondContact CG-OH 3.31Å
90	Q	83.8	Confident	87.8	Confident	145 Å²	145	68.8 Å²	68.8	68%	0.678	34%	0.337	S	S	*	.	S	Bend	trans	-72.5	-36.7	178.2	-63.3	-65.3	-8.7	0	0	111.9	R92	Q90-R92 PolarHBondContact O-N 3.43Å
91	L	83.8	Confident	87.9	Confident	116 Å²	116	66.6 Å²	66.6	61%	0.607	32%	0.32	S	S	*	.			trans	-82.2	112.9	178.2	-171.8	74.3	0	0	0	109.8
92	R	87.2	Confident	87.8	Confident	53 Å²	53	67.4 Å²	67.4	20%	0.2	32%	0.324	C	S	.	.			trans	-123.7	104.9	179	-56	170.4	-175	167.4	3.4	108	E54 P89 Q90 Y136	E54-R92 WeakPolarHBondContact OE2-CD 3.39Å; E54-R92 IonicContact OE2-CZ 2.94Å; E54-R92 IonicContact OE2-NE 3.85Å; E54-R92 IonicContact OE2-NH1 2.79Å; E54-R92 PolarHBondContact OE2-NH1 2.69Å; P89-R92 PolarHBondContact O-NE 3.18Å; Q90-R92 PolarHBondContact O-N 3.43Å; R92-Y136 HydrophobicContact CB-CD1 4.01Å; R92-Y136 HydrophobicContact CB-CD2 4.2Å; R92-Y136 HydrophobicContact CB-CE1 4.02Å; R92-Y136 HydrophobicContact CB-CE2 4.2Å; R92-Y136 HydrophobicContact CB-CG 4.11Å; R92-Y136 HydrophobicContact CG-CD1 4.23Å; R92-Y136 HydrophobicContact CG-CD2 4.47Å; R92-Y136 HydrophobicContact CG-CE1 3.7Å; R92-Y136 HydrophobicContact CG-CE2 3.98Å
93	R	86.5	Confident	87.5	Confident	142 Å²	142	64.5 Å²	64.5	54%	0.536	30%	0.304	S	S	.	.			trans	-134.6	134.6	-175	-168.7	176.2	-177.2	-161.1	3	110.1	G95 Y96	R93-G95 PolarHBondContact O-N 2.63Å; R93-Y96 HydrophobicContact CB-CD2 3.84Å; R93-Y96 HydrophobicContact CB-CG 4.43Å; R93-Y96 HydrophobicContact CG-CD2 3.7Å; R93-Y96 HydrophobicContact CG-CE2 4.03Å; R93-Y96 PolarHBondContact NH1-OH 3Å; R93-Y96 PolarHBondContact O-N 3.5Å; R93-Y96 VanDerWaalsContact O-N 3.11Å
94	H	87.7	Confident	87.2	Confident	67 Å²	67	61.2 Å²	61.2	31%	0.31	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-47.4	128.9	172.9	173	74.8	0	0	0	111.6	Y56 Y96 Y136 N138 D139	Y56-H94 HydrophobicContact CE1-CB 4.13Å; H94-Y96 VanDerWaalsContact C-N 3.27Å; H94-Y96 VanDerWaalsContact O-CD2 3.26Å; H94-Y96 WeakPolarHBondContact O-CD2 3.38Å; H94-Y96 PolarHBondContact O-N 2.88Å; H94-Y136 CarbonylContact C-O 3.38Å; H94-Y136 WeakPolarHBondContact CA-O 3.35Å; H94-N138 VanDerWaalsContact CB-OD1 3.31Å; H94-N138 WeakPolarHBondContact CB-OD1 3Å; H94-N138 PolarHBondContact ND1-N 3.07Å; H94-N138 PolarHBondContact ND1-OD1 3.4Å; H94-D139 IonicContact CE1-OD1 3.63Å; H94-D139 PolarHBondContact CE1-OD1 3.32Å; H94-D139 IonicContact CE1-OD2 3.87Å; H94-D139 PolarHBondContact CE1-OD2 3.42Å; H94-D139 IonicContact ND1-OD1 3.5Å; H94-D139 PolarHBondContact ND1-OD1 3.4Å; H94-D139 IonicContact NE2-OD1 3.75Å; H94-D139 IonicContact NE2-OD2 2.69Å; H94-D139 PolarHBondContact NE2-OD2 2.83Å
95	G	85	Confident	86.8	Confident	57 Å²	57	64.1 Å²	64.1	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	1	174.6	0	0	0	0	0	114.4	R93 Y136	R93-G95 PolarHBondContact O-N 2.63Å; G95-Y136 PolarHBondContact N-O 3.1Å
96	Y	83.8	Confident	86.3	Confident	120 Å²	120	63.8 Å²	63.8	47%	0.471	30%	0.304	S	S	.	.			trans	-109.5	142.1	178.7	-69.4	-91.8	0	0	0	111.6	R93 H94 C135 Y136	R93-Y96 HydrophobicContact CB-CD2 3.84Å; R93-Y96 HydrophobicContact CB-CG 4.43Å; R93-Y96 HydrophobicContact CG-CD2 3.7Å; R93-Y96 HydrophobicContact CG-CE2 4.03Å; R93-Y96 PolarHBondContact NH1-OH 3Å; R93-Y96 PolarHBondContact O-N 3.5Å; R93-Y96 VanDerWaalsContact O-N 3.11Å; H94-Y96 VanDerWaalsContact C-N 3.27Å; H94-Y96 VanDerWaalsContact O-CD2 3.26Å; H94-Y96 WeakPolarHBondContact O-CD2 3.38Å; H94-Y96 PolarHBondContact O-N 2.88Å; Y96-C135 WeakPolarHBondContact O-CA 3.49Å; Y96-Y136 PolarHBondContact O-N 2.82Å; Y96-Y136 VanDerWaalsContact O-N 3.07Å
97	C	87	Confident	85.6	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.3	169.3	-58.3	0	0	0	0	109.5	R133 F134 C135	C97-R133 HydrophobicContact CB-CG 3.86Å; C97-F134 CarbonylContact C-O 3.53Å; C97-F134 VanDerWaalsContact CA-O 3.3Å; C97-F134 WeakPolarHBondContact CA-O 3.38Å; C97-C135 HydrophobicContact CB-CB 4.02Å; C97-C135 WeakPolarHBondContact CB-SG 3.37Å; C97-C135 WeakPolarHBondContact SG-CB 3.37Å; C97-C135 CovalentContact SG-SG 2.03Å; C97-C135 PolarHBondContact SG-SG 2.84Å
98	V	87.6	Confident	84.9	Confident	8 Å²	8	64 Å²	64	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.6	-175.5	-173.8	0	0	0	0	108.6	P89 R133 F134	P89-V98 HydrophobicContact CB-CB 4.13Å; P89-V98 HydrophobicContact CB-CG1 3.62Å; P89-V98 HydrophobicContact CG-CB 3.84Å; P89-V98 HydrophobicContact CG-CG1 3.89Å; V98-R133 CarbonylContact O-C 3.55Å; V98-R133 WeakPolarHBondContact O-CA 3.34Å; V98-F134 PolarHBondContact N-O 3.18Å; V98-F134 PolarHBondContact O-N 3.5Å
99	N	87.9	Confident	84.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	153	175.7	-74.3	-18.2	0	0	0	111	Y103 Q104 T119 K132 R133	N99-Y103 HydrophobicContact CB-CD1 3.8Å; N99-Q104 HydrophobicContact CB-CG 4.18Å; N99-Q104 PolarHBondContact O-NE2 3.26Å; N99-T119 PolarHBondContact ND2-O 2.86Å; N99-K132 CarbonylContact C-O 3.59Å; N99-K132 WeakPolarHBondContact CA-O 3.18Å; N99-R133 PolarHBondContact OD1-NE 2.76Å; N99-R133 VanDerWaalsContact OD1-NE 3.12Å; N99-R133 PolarHBondContact OD1-NH2 3.26Å
100	S	90.4	Very high	83.8	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.042	36%	0.36	C	S	.	.			trans	-56.9	152.2	176.7	63.3	0	0	0	0	111.2	D87 D102 Y103 Q104 K132	D87-S100 CarbonylContact O-C 3.51Å; D87-S100 VanDerWaalsContact O-CA 3.25Å; D87-S100 WeakPolarHBondContact O-CA 3.37Å; D87-S100 VanDerWaalsContact O-CB 3.31Å; D87-S100 WeakPolarHBondContact O-CB 3.32Å; S100-D102 PolarHBondContact O-N 2.79Å; S100-Y103 PolarHBondContact O-N 2.9Å; S100-Y103 VanDerWaalsContact O-N 3.11Å; S100-Y103 WeakPolarHBondContact OG-CB 3.43Å; S100-Y103 PolarHBondContact OG-N 3.48Å; S100-Q104 WeakPolarHBondContact O-CG 3.33Å; S100-Q104 PolarHBondContact O-N 3.32Å; S100-K132 PolarHBondContact N-O 3.39Å
101	R	88.3	Confident	83.4	Confident	106 Å²	106	66.1 Å²	66.1	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-54.7	-43.5	-179.8	-176	-179.9	171.2	-174.4	-3.4	111.7	D87 Y103 Q104 H105	D87-R101 PolarHBondContact O-N 3.47Å; R101-Y103 VanDerWaalsContact C-N 3.34Å; R101-Y103 PolarHBondContact O-N 2.99Å; R101-Q104 WeakPolarHBondContact O-CB 3.3Å; R101-Q104 PolarHBondContact O-N 3.32Å; R101-H105 PolarHBondContact NE-NE2 2.91Å; R101-H105 PolarHBondContact O-CD2 2.9Å; R101-H105 PolarHBondContact O-N 3.05Å
102	D	85.7	Confident	83	Confident	90 Å²	90	69.1 Å²	69.1	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-44.2	179.7	-60.2	6.1	0	0	0	111.1	S100 H105 Y106	S100-D102 PolarHBondContact O-N 2.79Å; D102-H105 PolarHBondContact O-N 2.76Å; D102-Y106 PolarHBondContact O-N 3Å
103	Y	81	Confident	82.5	Confident	20 Å²	20	69.3 Å²	69.3	8%	0.078	37%	0.366	C	S	.	.	H	α-helix	trans	-69.5	-37.3	178.2	-168.8	-132.9	0	0	0	111.5	N99 S100 R101 H105 Y106 L107 M129 F131	N99-Y103 HydrophobicContact CB-CD1 3.8Å; S100-Y103 PolarHBondContact O-N 2.9Å; S100-Y103 VanDerWaalsContact O-N 3.11Å; S100-Y103 WeakPolarHBondContact OG-CB 3.43Å; S100-Y103 PolarHBondContact OG-N 3.48Å; R101-Y103 VanDerWaalsContact C-N 3.34Å; R101-Y103 PolarHBondContact O-N 2.99Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 2.94Å; Y103-Y106 AromaticContact CD2-CD1 3.94Å; Y103-Y106 HydrophobicContact CD2-CD1 3.94Å; Y103-Y106 AromaticContact CE2-CD1 3.8Å; Y103-Y106 HydrophobicContact CE2-CD1 3.8Å; Y103-Y106 HydrophobicContact CE2-CE1 4.18Å; Y103-Y106 PolarHBondContact O-N 3.03Å; Y103-L107 HydrophobicContact CD1-CD1 3.84Å; Y103-L107 HydrophobicContact CD1-CG 4.46Å; Y103-L107 HydrophobicContact CD2-CG 4.36Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.46Å; Y103-L107 HydrophobicContact CE1-CG 4.29Å; Y103-L107 HydrophobicContact CE2-CD1 4.49Å; Y103-L107 HydrophobicContact CE2-CD2 4.15Å; Y103-L107 HydrophobicContact CE2-CG 4.18Å; Y103-L107 HydrophobicContact CG-CD1 4.26Å; Y103-L107 HydrophobicContact CG-CG 4.48Å; Y103-L107 WeakPolarHBondContact O-CB 3.47Å; Y103-L107 WeakPolarHBondContact O-CG 3.29Å; Y103-L107 PolarHBondContact O-N 3.38Å; Y103-M129 WeakPolarHBondContact OH-CE 3.25Å; Y103-F131 HydrophobicContact CD1-CB 3.88Å; Y103-F131 HydrophobicContact CE1-CB 3.7Å
104	Q	81.8	Confident	81.8	Confident	44 Å²	44	70.2 Å²	70.2	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-43.7	171.2	-70.7	177.8	-19.2	0	0	112.1	N99 S100 R101 L107 L108	N99-Q104 HydrophobicContact CB-CG 4.18Å; N99-Q104 PolarHBondContact O-NE2 3.26Å; S100-Q104 WeakPolarHBondContact O-CG 3.33Å; S100-Q104 PolarHBondContact O-N 3.32Å; R101-Q104 WeakPolarHBondContact O-CB 3.3Å; R101-Q104 PolarHBondContact O-N 3.32Å; Q104-L107 PolarHBondContact O-N 3.28Å; Q104-L108 WeakPolarHBondContact O-CB 3.38Å; Q104-L108 VanDerWaalsContact O-CG 3.25Å; Q104-L108 WeakPolarHBondContact O-CG 3.33Å; Q104-L108 PolarHBondContact O-N 3.32Å
105	H	80.9	Confident	81	Confident	109 Å²	109	70.4 Å²	70.4	51%	0.505	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-43	176.2	-81.5	-65.7	0	0	0	112	R101 D102 Y103 L108 G109	R101-H105 PolarHBondContact NE-NE2 2.91Å; R101-H105 PolarHBondContact O-CD2 2.9Å; R101-H105 PolarHBondContact O-N 3.05Å; D102-H105 PolarHBondContact O-N 2.76Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 2.94Å; H105-L108 PolarHBondContact O-N 3.14Å; H105-G109 PolarHBondContact O-N 3.42Å
106	Y	80.1	Confident	80.3	Confident	119 Å²	119	69.1 Å²	69.1	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-50.9	172.9	168.4	-100.2	0	0	0	111.8	D102 Y103 L108 G109 V110 M129	D102-Y106 PolarHBondContact O-N 3Å; Y103-Y106 AromaticContact CD2-CD1 3.94Å; Y103-Y106 HydrophobicContact CD2-CD1 3.94Å; Y103-Y106 AromaticContact CE2-CD1 3.8Å; Y103-Y106 HydrophobicContact CE2-CD1 3.8Å; Y103-Y106 HydrophobicContact CE2-CE1 4.18Å; Y103-Y106 PolarHBondContact O-N 3.03Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.91Å; Y106-G109 PolarHBondContact O-N 2.92Å; Y106-V110 HydrophobicContact CD2-CG2 4.18Å; Y106-V110 HydrophobicContact CE1-CG2 4.2Å; Y106-V110 HydrophobicContact CE2-CG2 3.7Å; Y106-V110 PolarHBondContact O-N 2.94Å; Y106-M129 HydrophobicContact CE1-SD 4.48Å
107	L	75.6	Confident	79.6	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-61.4	-37.3	-178.4	-69.5	170.2	0	0	0	112.5	Y103 Q104 G109 V110 L111 L116 T119	Y103-L107 HydrophobicContact CD1-CD1 3.84Å; Y103-L107 HydrophobicContact CD1-CG 4.46Å; Y103-L107 HydrophobicContact CD2-CG 4.36Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.46Å; Y103-L107 HydrophobicContact CE1-CG 4.29Å; Y103-L107 HydrophobicContact CE2-CD1 4.49Å; Y103-L107 HydrophobicContact CE2-CD2 4.15Å; Y103-L107 HydrophobicContact CE2-CG 4.18Å; Y103-L107 HydrophobicContact CG-CD1 4.26Å; Y103-L107 HydrophobicContact CG-CG 4.48Å; Y103-L107 WeakPolarHBondContact O-CB 3.47Å; Y103-L107 WeakPolarHBondContact O-CG 3.29Å; Y103-L107 PolarHBondContact O-N 3.38Å; Q104-L107 PolarHBondContact O-N 3.28Å; L107-G109 PolarHBondContact O-N 2.79Å; L107-V110 PolarHBondContact O-N 3.38Å; L107-L111 HydrophobicContact CB-CD1 4.4Å; L107-L111 HydrophobicContact CD2-CD1 3.77Å; L107-L111 HydrophobicContact CD2-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.06Å; L107-L116 HydrophobicContact CB-CD1 4.42Å; L107-L116 WeakPolarHBondContact O-CD1 3.48Å; L107-T119 HydrophobicContact CD1-CG2 3.46Å; L107-T119 VanDerWaalsContact CD1-CG2 3.46Å; L107-T119 HydrophobicContact CD2-CG2 3.8Å; L107-T119 HydrophobicContact CG-CG2 4.22Å
108	L	78.5	Confident	78.8	Confident	103 Å²	103	68.8 Å²	68.8	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-28.6	174.1	-75.7	164.7	0	0	0	113.3	Q104 H105 Y106 L116	Q104-L108 WeakPolarHBondContact O-CB 3.38Å; Q104-L108 VanDerWaalsContact O-CG 3.25Å; Q104-L108 WeakPolarHBondContact O-CG 3.33Å; Q104-L108 PolarHBondContact O-N 3.32Å; H105-L108 PolarHBondContact O-N 3.14Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.91Å; L108-L116 HydrophobicContact CB-CD1 4.46Å; L108-L116 HydrophobicContact CD2-CD1 3.81Å; L108-L116 HydrophobicContact CD2-CD2 3.7Å; L108-L116 HydrophobicContact CD2-CG 4.13Å; L108-L116 HydrophobicContact CG-CD1 4.14Å
109	G	79.1	Confident	77.8	Confident	67 Å²	67	68.8 Å²	68.8	69%	0.691	36%	0.364	S	S	*	.	H	α-helix	trans	-81.2	-27.7	175.6	0	0	0	0	0	113.9	H105 Y106 L107	H105-G109 PolarHBondContact O-N 3.42Å; Y106-G109 PolarHBondContact O-N 2.92Å; L107-G109 PolarHBondContact O-N 2.79Å
110	V	78.5	Confident	76.7	Confident	83 Å²	83	70 Å²	70	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-102	-43.9	-171.7	-179.6	0	0	0	0	112.6	Y106 L107	Y106-V110 HydrophobicContact CD2-CG2 4.18Å; Y106-V110 HydrophobicContact CE1-CG2 4.2Å; Y106-V110 HydrophobicContact CE2-CG2 3.7Å; Y106-V110 PolarHBondContact O-N 2.94Å; L107-V110 PolarHBondContact O-N 3.38Å
111	L	75.6	Confident	75.6	Confident	46 Å²	46	74.3 Å²	74.3	24%	0.241	40%	0.395	C	S	.	.			trans	-91.4	145.1	-175.2	-61.4	179.8	0	0	0	111.6	L107 L116 T119	L107-L111 HydrophobicContact CB-CD1 4.4Å; L107-L111 HydrophobicContact CD2-CD1 3.77Å; L107-L111 HydrophobicContact CD2-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.06Å; L111-L116 HydrophobicContact CB-CB 3.85Å; L111-L116 HydrophobicContact CB-CD1 4.01Å; L111-T119 HydrophobicContact CD1-CG2 3.87Å; L111-T119 VanDerWaalsContact CD1-OG1 3.3Å; L111-T119 WeakPolarHBondContact CD1-OG1 3.26Å
112	K	75.9	Confident	74.3	Confident	180 Å²	180	70 Å²	70	78%	0.783	38%	0.384	S	S	*	.			trans	-128.7	144.1	178.1	-65.9	-175	-178.6	179.3	0	111.2	T115	K112-T115 PolarHBondContact O-OG1 3.31Å; K112-T115 VanDerWaalsContact O-OG1 3.09Å
113	G	75.1	Confident	73.3	Confident	57 Å²	57	71.9 Å²	71.9	59%	0.588	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-141.6	173.5	0	0	0	0	0	113.5	T115 L116	G113-T115 VanDerWaalsContact C-N 3.34Å; G113-T115 PolarHBondContact O-N 3.29Å; G113-L116 WeakPolarHBondContact O-CB 3.45Å; G113-L116 PolarHBondContact O-N 2.98Å
114	K	72	Confident	72.1	Confident	160 Å²	160	76.8 Å²	76.8	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-65.3	-35.2	-171.7	-166	-178.5	178.5	-163.3	0	113.2	L116 V117 E118	K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 3.48Å; K114-V117 PolarHBondContact O-N 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 IonicContact NZ-OE1 3.71Å; K114-E118 PolarHBondContact O-N 3.32Å
115	T	70.6	Confident	71.1	Confident	72 Å²	72	76.6 Å²	76.6	44%	0.442	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-35.8	179.5	54.3	0	0	0	0	112.1	K112 G113 V117 E118 T119	K112-T115 PolarHBondContact O-OG1 3.31Å; K112-T115 VanDerWaalsContact O-OG1 3.09Å; G113-T115 VanDerWaalsContact C-N 3.34Å; G113-T115 PolarHBondContact O-N 3.29Å; T115-V117 PolarHBondContact O-N 3.28Å; T115-E118 PolarHBondContact O-N 2.98Å; T115-T119 WeakPolarHBondContact O-CB 3.4Å; T115-T119 PolarHBondContact O-N 3.22Å; T115-T119 PolarHBondContact O-OG1 3.26Å
116	L	70.5	Confident	70.1	Confident	30 Å²	30	74.1 Å²	74.1	16%	0.157	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-46.1	176.8	171.2	63.8	0	0	0	111.9	L107 L108 L111 G113 K114 T119 A120	L107-L116 HydrophobicContact CB-CD1 4.42Å; L107-L116 WeakPolarHBondContact O-CD1 3.48Å; L108-L116 HydrophobicContact CB-CD1 4.46Å; L108-L116 HydrophobicContact CD2-CD1 3.81Å; L108-L116 HydrophobicContact CD2-CD2 3.7Å; L108-L116 HydrophobicContact CD2-CG 4.13Å; L108-L116 HydrophobicContact CG-CD1 4.14Å; L111-L116 HydrophobicContact CB-CB 3.85Å; L111-L116 HydrophobicContact CB-CD1 4.01Å; G113-L116 WeakPolarHBondContact O-CB 3.45Å; G113-L116 PolarHBondContact O-N 2.98Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 3.48Å; L116-T119 PolarHBondContact O-N 2.89Å; L116-A120 VanDerWaalsContact O-CB 3.25Å; L116-A120 WeakPolarHBondContact O-CB 3.46Å; L116-A120 PolarHBondContact O-N 3.22Å
117	V	69.4	Low	69.4	Low	81 Å²	81	75.9 Å²	75.9	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-47.2	-178.5	179.4	0	0	0	0	109.9	K114 T115 T119 A120 M121	K114-V117 PolarHBondContact O-N 3.26Å; T115-V117 PolarHBondContact O-N 3.28Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.74Å; V117-A120 PolarHBondContact O-N 3.11Å; V117-M121 HydrophobicContact CG1-CE 3.79Å; V117-M121 HydrophobicContact CG1-CG 4.36Å; V117-M121 HydrophobicContact CG1-SD 3.82Å; V117-M121 WeakPolarHBondContact O-CB 3.48Å; V117-M121 WeakPolarHBondContact O-CG 3.5Å; V117-M121 PolarHBondContact O-N 3.48Å
118	E	69.9	Low	68.9	Low	61 Å²	61	82.8 Å²	82.8	29%	0.285	46%	0.459	S	S	.	.	H	α-helix	trans	-58.8	-44.5	177.4	-69.9	171.8	171.4	0	0	111.5	K114 T115 M121 G122 L123	K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 IonicContact NZ-OE1 3.71Å; K114-E118 PolarHBondContact O-N 3.32Å; T115-E118 PolarHBondContact O-N 2.98Å; E118-M121 PolarHBondContact O-N 2.8Å; E118-G122 PolarHBondContact O-N 2.88Å; E118-L123 HydrophobicContact CB-CB 4.31Å; E118-L123 VanDerWaalsContact O-CB 3.31Å; E118-L123 WeakPolarHBondContact O-CB 3.08Å; E118-L123 PolarHBondContact O-N 3.4Å
119	T	67.7	Low	68.9	Low	7 Å²	7	80.3 Å²	80.3	4%	0.043	45%	0.445	C	S	.	.	H	α-helix	trans	-69.6	-41.7	178.3	-48.8	0	0	0	0	112.8	N99 L107 L111 T115 L116 V117 M121 G122 F124	N99-T119 PolarHBondContact ND2-O 2.86Å; L107-T119 HydrophobicContact CD1-CG2 3.46Å; L107-T119 VanDerWaalsContact CD1-CG2 3.46Å; L107-T119 HydrophobicContact CD2-CG2 3.8Å; L107-T119 HydrophobicContact CG-CG2 4.22Å; L111-T119 HydrophobicContact CD1-CG2 3.87Å; L111-T119 VanDerWaalsContact CD1-OG1 3.3Å; L111-T119 WeakPolarHBondContact CD1-OG1 3.26Å; T115-T119 WeakPolarHBondContact O-CB 3.4Å; T115-T119 PolarHBondContact O-N 3.22Å; T115-T119 PolarHBondContact O-OG1 3.26Å; L116-T119 PolarHBondContact O-N 2.89Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.74Å; T119-M121 VanDerWaalsContact C-N 3.25Å; T119-M121 PolarHBondContact O-N 2.83Å; T119-G122 PolarHBondContact O-N 3.04Å; T119-F124 HydrophobicContact CG2-CB 4.13Å; T119-F124 WeakPolarHBondContact OG1-CB 3.49Å
120	A	64.1	Low	69.3	Low	25 Å²	25	81.1 Å²	81.1	21%	0.207	43%	0.433	C	S	.	.	H	α-helix	trans	-64.1	-32	178.5	0	0	0	0	0	112.5	L116 V117 G122	L116-A120 VanDerWaalsContact O-CB 3.25Å; L116-A120 WeakPolarHBondContact O-CB 3.46Å; L116-A120 PolarHBondContact O-N 3.22Å; V117-A120 PolarHBondContact O-N 3.11Å; A120-G122 PolarHBondContact O-N 2.04Å
121	M	67	Low	69.7	Low	98 Å²	98	78.2 Å²	78.2	48%	0.483	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	2.1	173.1	-63	-174.6	-46.5	0	0	113.5	V117 E118 T119 L123	V117-M121 HydrophobicContact CG1-CE 3.79Å; V117-M121 HydrophobicContact CG1-CG 4.36Å; V117-M121 HydrophobicContact CG1-SD 3.82Å; V117-M121 WeakPolarHBondContact O-CB 3.48Å; V117-M121 WeakPolarHBondContact O-CG 3.5Å; V117-M121 PolarHBondContact O-N 3.48Å; E118-M121 PolarHBondContact O-N 2.8Å; T119-M121 VanDerWaalsContact C-N 3.25Å; T119-M121 PolarHBondContact O-N 2.83Å; M121-L123 VanDerWaalsContact C-N 3.25Å; M121-L123 HydrophobicContact CB-CD1 4.06Å; M121-L123 HydrophobicContact CE-CD1 4.29Å; M121-L123 PolarHBondContact O-N 2.76Å
122	G	62.5	Low	70.4	Confident	16 Å²	16	77.9 Å²	77.9	17%	0.165	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	12.1	-179.5	0	0	0	0	0	114.5	E118 T119 A120 F124	E118-G122 PolarHBondContact O-N 2.88Å; T119-G122 PolarHBondContact O-N 3.04Å; A120-G122 PolarHBondContact O-N 2.04Å; G122-F124 VanDerWaalsContact C-N 3.25Å
123	L	64.5	Low	71.1	Confident	128 Å²	128	70.9 Å²	70.9	67%	0.67	38%	0.379	S	S	*	.	S	Bend	trans	-72.9	-21.1	173.7	-96.2	81.6	0	0	0	112.3	E118 M121	E118-L123 HydrophobicContact CB-CB 4.31Å; E118-L123 VanDerWaalsContact O-CB 3.31Å; E118-L123 WeakPolarHBondContact O-CB 3.08Å; E118-L123 PolarHBondContact O-N 3.4Å; M121-L123 VanDerWaalsContact C-N 3.25Å; M121-L123 HydrophobicContact CB-CD1 4.06Å; M121-L123 HydrophobicContact CE-CD1 4.29Å; M121-L123 PolarHBondContact O-N 2.76Å
124	F	55	Low	71.9	Confident	123 Å²	123	68.2 Å²	68.2	54%	0.539	35%	0.351	S	S	.	.			trans	-119.9	126.8	178.3	-141.9	-91.8	0	0	0	109.7	T119 G122	T119-F124 HydrophobicContact CG2-CB 4.13Å; T119-F124 WeakPolarHBondContact OG1-CB 3.49Å; G122-F124 VanDerWaalsContact C-N 3.25Å
125	S	61	Low	72.9	Confident	40 Å²	40	60.8 Å²	60.8	28%	0.28	32%	0.319	S	S	.	.			trans	-125.7	114.5	170.3	-147.9	0	0	0	0	106.1	E127 F131 R133	S125-E127 PolarHBondContact O-N 3.06Å; S125-F131 VanDerWaalsContact OG-CE1 3.24Å; S125-F131 WeakPolarHBondContact OG-CE1 3.49Å; S125-F131 WeakPolarHBondContact OG-CZ 3.48Å; S125-R133 VanDerWaalsContact CB-NH2 3.25Å; S125-R133 PolarHBondContact OG-NH2 3.47Å
126	D	59	Low	73.9	Confident	58 Å²	58	57.4 Å²	57.4	31%	0.31	30%	0.299	S	S	.	.			trans	-71	123	165.8	-168.4	-23.4	0	0	0	107	N128 M129	D126-N128 PolarHBondContact O-N 3.22Å; D126-N128 WeakPolarHBondContact OD1-CB 3.32Å; D126-N128 PolarHBondContact OD1-N 3.31Å; D126-N128 PolarHBondContact OD1-ND2 3.13Å; D126-N128 VanDerWaalsContact OD1-ND2 3.12Å; D126-M129 HydrophobicContact CB-CB 4.27Å; D126-M129 HydrophobicContact CB-CE 3.36Å; D126-M129 HydrophobicContact CB-CG 3.93Å; D126-M129 HydrophobicContact CB-SD 4.44Å; D126-M129 PolarHBondContact O-N 3.17Å
127	E	66	Low	74.9	Confident	156 Å²	156	56.1 Å²	56.1	73%	0.729	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.1	178.2	-63.2	-173.9	-176.2	0	0	111.5	K63 S125	K63-E127 WeakPolarHBondContact CE-O 3.23Å; K63-E127 PolarHBondContact NZ-O 2.88Å; S125-E127 PolarHBondContact O-N 3.06Å
128	N	66.1	Low	75.7	Confident	148 Å²	148	56.2 Å²	56.2	79%	0.791	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.8	-177.4	-55.3	-64.7	0	0	0	114	D126	D126-N128 PolarHBondContact O-N 3.22Å; D126-N128 WeakPolarHBondContact OD1-CB 3.32Å; D126-N128 PolarHBondContact OD1-N 3.31Å; D126-N128 PolarHBondContact OD1-ND2 3.13Å; D126-N128 VanDerWaalsContact OD1-ND2 3.12Å
129	M	78.1	Confident	76.4	Confident	51 Å²	51	56.2 Å²	56.2	25%	0.251	29%	0.292	S	S	.	.	S	Bend	trans	-113.6	145	-175.3	-63.5	-159.3	-74.8	0	0	112.3	Y103 Y106 D126 F131	Y103-M129 WeakPolarHBondContact OH-CE 3.25Å; Y106-M129 HydrophobicContact CE1-SD 4.48Å; D126-M129 HydrophobicContact CB-CB 4.27Å; D126-M129 HydrophobicContact CB-CE 3.36Å; D126-M129 HydrophobicContact CB-CG 3.93Å; D126-M129 HydrophobicContact CB-SD 4.44Å; D126-M129 PolarHBondContact O-N 3.17Å; M129-F131 WeakPolarHBondContact O-CD1 3.48Å
130	D	87.1	Confident	77	Confident	84 Å²	84	65.3 Å²	65.3	45%	0.449	33%	0.326	S	S	.	.			trans	-68.9	133.1	169.2	-66.3	-8.7	0	0	0	109.2	K63 V64 Q65	K63-D130 VanDerWaalsContact O-CA 3.28Å; K63-D130 WeakPolarHBondContact O-CA 3.29Å; K63-D130 WeakPolarHBondContact O-CB 3.11Å; V64-D130 WeakPolarHBondContact CA-OD1 3.46Å; Q65-D130 PolarHBondContact N-OD1 3.22Å
131	F	86.8	Confident	77.9	Confident	22 Å²	22	66 Å²	66	10%	0.096	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155	177.9	69	-95.4	0	0	0	111.9	I61 E62 K63 Y103 S125 M129 R133	I61-F131 HydrophobicContact CG2-CE2 4.15Å; E62-F131 WeakPolarHBondContact CA-O 3.26Å; K63-F131 HydrophobicContact CB-CD1 3.86Å; K63-F131 HydrophobicContact CB-CE1 3.66Å; K63-F131 HydrophobicContact CB-CE2 4.5Å; K63-F131 HydrophobicContact CB-CG 4.37Å; K63-F131 HydrophobicContact CB-CZ 4Å; K63-F131 HydrophobicContact CD-CD1 4.19Å; K63-F131 HydrophobicContact CD-CE1 3.65Å; K63-F131 HydrophobicContact CD-CZ 4.46Å; K63-F131 HydrophobicContact CG-CE1 4.25Å; K63-F131 PolarHBondContact N-O 2.91Å; K63-F131 PolarHBondContact O-N 3.39Å; K63-F131 VanDerWaalsContact O-N 3.11Å; Y103-F131 HydrophobicContact CD1-CB 3.88Å; Y103-F131 HydrophobicContact CE1-CB 3.7Å; S125-F131 VanDerWaalsContact OG-CE1 3.24Å; S125-F131 WeakPolarHBondContact OG-CE1 3.49Å; S125-F131 WeakPolarHBondContact OG-CZ 3.48Å; M129-F131 WeakPolarHBondContact O-CD1 3.48Å; F131-R133 HydrophobicContact CD2-CB 4.05Å; F131-R133 HydrophobicContact CE2-CB 4.12Å
132	K	90.6	Very high	78.6	Confident	38 Å²	38	61.6 Å²	61.6	17%	0.165	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	164.8	-74.9	171	178.4	167.4	0	108.6	L60 I61 E62 D87 N99 S100	L60-K132 HydrophobicContact CD1-CB 4.28Å; I61-K132 CarbonylContact O-C 3.57Å; I61-K132 WeakPolarHBondContact O-CA 3.5Å; E62-K132 HydrophobicContact CB-CG 4.11Å; E62-K132 HydrophobicContact CG-CG 3.88Å; E62-K132 WeakPolarHBondContact OE1-CE 3.3Å; E62-K132 IonicContact OE1-NZ 3.67Å; D87-K132 WeakPolarHBondContact OD2-CD 3.4Å; D87-K132 IonicContact OD2-NZ 3.55Å; D87-K132 PolarHBondContact OD2-NZ 3.39Å; N99-K132 CarbonylContact C-O 3.59Å; N99-K132 WeakPolarHBondContact CA-O 3.18Å; S100-K132 PolarHBondContact N-O 3.39Å
133	R	90.3	Very high	79.8	Confident	34 Å²	34	61.3 Å²	61.3	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.7	179.2	-178.1	175.7	-65.1	152.8	10.8	110.3	L60 I61 C97 V98 N99 S125 F131	L60-R133 CarbonylContact C-O 3.59Å; L60-R133 WeakPolarHBondContact CA-O 3.33Å; I61-R133 HydrophobicContact CB-CB 4.5Å; I61-R133 PolarHBondContact N-O 2.69Å; I61-R133 PolarHBondContact O-N 2.75Å; C97-R133 HydrophobicContact CB-CG 3.86Å; V98-R133 CarbonylContact O-C 3.55Å; V98-R133 WeakPolarHBondContact O-CA 3.34Å; N99-R133 PolarHBondContact OD1-NE 2.76Å; N99-R133 VanDerWaalsContact OD1-NE 3.12Å; N99-R133 PolarHBondContact OD1-NH2 3.26Å; S125-R133 VanDerWaalsContact CB-NH2 3.25Å; S125-R133 PolarHBondContact OG-NH2 3.47Å; F131-R133 HydrophobicContact CD2-CB 4.05Å; F131-R133 HydrophobicContact CE2-CB 4.12Å
134	F	92.6	Very high	80.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.2	178.6	-65.2	-97.7	0	0	0	109.5	V58 L60 D87 M88 P89 C97 V98 Y136	V58-F134 HydrophobicContact CG1-CD1 3.91Å; L60-F134 HydrophobicContact CB-CD1 4.49Å; L60-F134 HydrophobicContact CD1-CD1 4.08Å; L60-F134 HydrophobicContact CD1-CD2 4.21Å; L60-F134 HydrophobicContact CD1-CE1 3.81Å; L60-F134 HydrophobicContact CD1-CE2 3.95Å; L60-F134 HydrophobicContact CD1-CG 4.28Å; L60-F134 HydrophobicContact CD1-CZ 3.75Å; L60-F134 HydrophobicContact CD2-CE1 4.38Å; L60-F134 HydrophobicContact CG-CE1 4.46Å; D87-F134 HydrophobicContact CB-CE2 4.28Å; D87-F134 HydrophobicContact CB-CZ 4.22Å; M88-F134 HydrophobicContact CE-CD1 4.27Å; M88-F134 HydrophobicContact CE-CE1 4.04Å; M88-F134 HydrophobicContact CG-CD1 4.35Å; M88-F134 HydrophobicContact CG-CE1 4.41Å; P89-F134 VanDerWaalsContact CD-CD2 3.46Å; P89-F134 HydrophobicContact CG-CB 4.18Å; P89-F134 HydrophobicContact CG-CD2 4.29Å; P89-F134 HydrophobicContact CG-CG 4.48Å; C97-F134 CarbonylContact C-O 3.53Å; C97-F134 VanDerWaalsContact CA-O 3.3Å; C97-F134 WeakPolarHBondContact CA-O 3.38Å; V98-F134 PolarHBondContact N-O 3.18Å; V98-F134 PolarHBondContact O-N 3.5Å; F134-Y136 HydrophobicContact CB-CE2 3.8Å; F134-Y136 WeakPolarHBondContact CB-OH 3.44Å
135	C	92.1	Very high	82	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.5	170.9	-53.9	0	0	0	0	109.9	V58 K59 Y96 C97	V58-C135 CarbonylContact C-O 3.15Å; V58-C135 VanDerWaalsContact CA-O 3.32Å; V58-C135 WeakPolarHBondContact CA-O 3.03Å; K59-C135 HydrophobicContact CB-CB 4.16Å; K59-C135 VanDerWaalsContact CE-SG 3.56Å; K59-C135 PolarHBondContact N-O 3.29Å; K59-C135 PolarHBondContact O-N 3.34Å; Y96-C135 WeakPolarHBondContact O-CA 3.49Å; C97-C135 HydrophobicContact CB-CB 4.02Å; C97-C135 WeakPolarHBondContact CB-SG 3.37Å; C97-C135 WeakPolarHBondContact SG-CB 3.37Å; C97-C135 CovalentContact SG-SG 2.03Å; C97-C135 PolarHBondContact SG-SG 2.84Å
136	Y	92.5	Very high	82.3	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136	-179.3	-56	-87.7	0	0	0	110.3	C57 V58 L75 M88 P89 R92 H94 G95 Y96 F134	C57-Y136 WeakPolarHBondContact O-CA 3.31Å; V58-Y136 HydrophobicContact CG2-CD1 3.81Å; V58-Y136 HydrophobicContact CG2-CE1 3.8Å; L75-Y136 HydrophobicContact CD1-CE1 4.05Å; M88-Y136 WeakPolarHBondContact CG-OH 3.34Å; M88-Y136 HydrophobicContact SD-CE1 4.47Å; P89-Y136 WeakPolarHBondContact CD-OH 3.07Å; P89-Y136 HydrophobicContact CG-CE2 4.13Å; P89-Y136 WeakPolarHBondContact CG-OH 3.31Å; R92-Y136 HydrophobicContact CB-CD1 4.01Å; R92-Y136 HydrophobicContact CB-CD2 4.2Å; R92-Y136 HydrophobicContact CB-CE1 4.02Å; R92-Y136 HydrophobicContact CB-CE2 4.2Å; R92-Y136 HydrophobicContact CB-CG 4.11Å; R92-Y136 HydrophobicContact CG-CD1 4.23Å; R92-Y136 HydrophobicContact CG-CD2 4.47Å; R92-Y136 HydrophobicContact CG-CE1 3.7Å; R92-Y136 HydrophobicContact CG-CE2 3.98Å; H94-Y136 CarbonylContact C-O 3.38Å; H94-Y136 WeakPolarHBondContact CA-O 3.35Å; G95-Y136 PolarHBondContact N-O 3.1Å; Y96-Y136 PolarHBondContact O-N 2.82Å; Y96-Y136 VanDerWaalsContact O-N 3.07Å; F134-Y136 HydrophobicContact CB-CE2 3.8Å; F134-Y136 WeakPolarHBondContact CB-OH 3.44Å
137	C	91.4	Very high	82.1	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.4	172.4	70.2	0	0	0	0	110.5	Y56 C57 C143	Y56-C137 CarbonylContact C-O 3.54Å; Y56-C137 WeakPolarHBondContact CA-O 3.03Å; C57-C137 WeakPolarHBondContact CA-O 3.49Å; C57-C137 WeakPolarHBondContact CB-O 3.37Å; C57-C137 PolarHBondContact N-O 3.16Å; C57-C137 PolarHBondContact O-N 3.11Å; C137-C143 HydrophobicContact CB-CB 3.86Å; C137-C143 WeakPolarHBondContact CB-SG 3.48Å; C137-C143 PolarHBondContact N-SG 3.03Å; C137-C143 VanDerWaalsContact N-SG 3.42Å; C137-C143 WeakPolarHBondContact SG-CA 3.23Å; C137-C143 WeakPolarHBondContact SG-CB 3.47Å; C137-C143 PolarHBondContact SG-N 3.39Å; C137-C143 CovalentContact SG-SG 2.04Å; C137-C143 PolarHBondContact SG-SG 3.48Å
138	N	86.2	Confident	81.5	Confident	82 Å²	82	63.6 Å²	63.6	44%	0.439	32%	0.32	S	S	.	.			trans	-128.4	27.6	173.6	55.4	-43.7	0	0	0	109.6	L21 Y56 H94	L21-N138 HydrophobicContact CD1-CB 4.38Å; Y56-N138 HydrophobicContact CD1-CB 4.13Å; Y56-N138 HydrophobicContact CE1-CB 4.34Å; H94-N138 VanDerWaalsContact CB-OD1 3.31Å; H94-N138 WeakPolarHBondContact CB-OD1 3Å; H94-N138 PolarHBondContact ND1-N 3.07Å; H94-N138 PolarHBondContact ND1-OD1 3.4Å
139	D	84.2	Confident	80.9	Confident	62 Å²	62	63.9 Å²	63.9	33%	0.332	32%	0.321	S	S	.	.	S	Bend	trans	-117.7	160.2	-173	-62.2	12.2	0	0	0	110.8	H94 N141	H94-D139 IonicContact CE1-OD1 3.63Å; H94-D139 PolarHBondContact CE1-OD1 3.32Å; H94-D139 IonicContact CE1-OD2 3.87Å; H94-D139 PolarHBondContact CE1-OD2 3.42Å; H94-D139 IonicContact ND1-OD1 3.5Å; H94-D139 PolarHBondContact ND1-OD1 3.4Å; H94-D139 IonicContact NE2-OD1 3.75Å; H94-D139 IonicContact NE2-OD2 2.69Å; H94-D139 PolarHBondContact NE2-OD2 2.83Å; D139-N141 PolarHBondContact O-N 3.03Å
140	W	80.4	Confident	79.7	Confident	197 Å²	197	71.1 Å²	71.1	75%	0.746	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.3	-179.5	58.2	-82.4	0	0	0	115	W44 G142	W44-W140 HydrophobicContact CH2-CB 3.28Å; W44-W140 HydrophobicContact CZ2-CB 3.64Å; W44-W140 HydrophobicContact CZ3-CB 4.4Å; W140-G142 PolarHBondContact O-N 3.44Å
141	N	81.9	Confident	78.4	Confident	41 Å²	41	71.6 Å²	71.6	22%	0.219	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.5	-177.9	76.2	-12.4	0	0	0	114.1	D139 C143 N144	D139-N141 PolarHBondContact O-N 3.03Å; N141-C143 VanDerWaalsContact C-N 3.31Å; N141-C143 PolarHBondContact O-N 3.37Å; N141-C143 PolarHBondContact OD1-N 3.31Å; N141-C143 VanDerWaalsContact OD1-N 3.13Å; N141-N144 PolarHBondContact ND2-O 3Å; N141-N144 WeakPolarHBondContact O-CB 2.97Å; N141-N144 PolarHBondContact O-N 3.01Å; N141-N144 PolarHBondContact O-ND2 3.46Å
142	G	82.1	Confident	77.5	Confident	4 Å²	4	72.9 Å²	72.9	4%	0.041	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	32.3	178	0	0	0	0	0	114.3	Y24 R72 W140 N144	Y24-G142 VanDerWaalsContact CD2-CA 3.46Å; R72-G142 WeakPolarHBondContact CD-O 3.49Å; R72-G142 PolarHBondContact NE-O 3.02Å; W140-G142 PolarHBondContact O-N 3.44Å; G142-N144 PolarHBondContact O-N 2.91Å; G142-N144 VanDerWaalsContact O-N 3.17Å
143	C	88.4	Confident	76.7	Confident	11 Å²	11	76.4 Å²	76.4	7%	0.074	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	30.8	-175.8	-46.8	0	0	0	0	112.2	K59 C137 N141	K59-C143 HydrophobicContact CB-CB 3.85Å; K59-C143 WeakPolarHBondContact CE-O 3.37Å; K59-C143 PolarHBondContact NZ-O 3.38Å; C137-C143 HydrophobicContact CB-CB 3.86Å; C137-C143 WeakPolarHBondContact CB-SG 3.48Å; C137-C143 PolarHBondContact N-SG 3.03Å; C137-C143 VanDerWaalsContact N-SG 3.42Å; C137-C143 WeakPolarHBondContact SG-CA 3.23Å; C137-C143 WeakPolarHBondContact SG-CB 3.47Å; C137-C143 PolarHBondContact SG-N 3.39Å; C137-C143 CovalentContact SG-SG 2.04Å; C137-C143 PolarHBondContact SG-SG 3.48Å; N141-C143 VanDerWaalsContact C-N 3.31Å; N141-C143 PolarHBondContact O-N 3.37Å; N141-C143 PolarHBondContact OD1-N 3.31Å; N141-C143 VanDerWaalsContact OD1-N 3.13Å
144	N	87.7	Confident	76	Confident	31 Å²	31	80.5 Å²	80.5	17%	0.166	42%	0.416	C	S	.	.			trans	-63.8	146.3	167.4	-80.6	-17.6	0	0	0	109.4	P36 I37 R72 N141 G142 V146	P36-N144 VanDerWaalsContact CA-OD1 3.31Å; P36-N144 WeakPolarHBondContact CA-OD1 3.34Å; I37-N144 VanDerWaalsContact CG2-ND2 3.26Å; I37-N144 WeakPolarHBondContact CG2-ND2 3.34Å; I37-N144 WeakPolarHBondContact CG2-OD1 3.02Å; I37-N144 PolarHBondContact N-ND2 2.9Å; I37-N144 PolarHBondContact N-OD1 3.11Å; I37-N144 PolarHBondContact O-ND2 3.33Å; R72-N144 PolarHBondContact NH2-OD1 2.99Å; N141-N144 PolarHBondContact ND2-O 3Å; N141-N144 WeakPolarHBondContact O-CB 2.97Å; N141-N144 PolarHBondContact O-N 3.01Å; N141-N144 PolarHBondContact O-ND2 3.46Å; G142-N144 PolarHBondContact O-N 2.91Å; G142-N144 VanDerWaalsContact O-N 3.17Å; N144-V146 PolarHBondContact O-N 3.49Å
145	H	77	Confident	75.2	Confident	137 Å²	137	85.7 Å²	85.7	63%	0.634	44%	0.444	S	S	*	.			trans	-59.7	130.6	172.9	-131.9	-71.9	0	0	0	108.3	N147	H145-N147 VanDerWaalsContact C-N 3.27Å; H145-N147 PolarHBondContact O-N 2.89Å
146	V	67.3	Low	74.7	Confident	101 Å²	101	89.3 Å²	89.3	61%	0.612	46%	0.462	S	S	*	.			trans	-68.6	98.5	167.7	-171.8	0	0	0	0	105.1	N144 N148	N144-V146 PolarHBondContact O-N 3.49Å; V146-N148 PolarHBondContact O-N 3.43Å
147	N	56.5	Low	74	Confident	139 Å²	139	91.9 Å²	91.9	74%	0.743	48%	0.48	S	S	*	.			trans	-61.1	112.3	161.6	-74.7	-13.9	0	0	0	104.3	H145 L149	H145-N147 VanDerWaalsContact C-N 3.27Å; H145-N147 PolarHBondContact O-N 2.89Å; N147-L149 VanDerWaalsContact C-N 3.35Å; N147-L149 PolarHBondContact O-N 3.24Å
148	N	53.2	Low	73.7	Confident	145 Å²	145	97.5 Å²	97.5	78%	0.775	50%	0.504	S	S	*	.			trans	-44.6	107.3	173.4	-74.6	-37.5	0	0	0	106.7	V146 K150	V146-N148 PolarHBondContact O-N 3.43Å; N148-K150 VanDerWaalsContact C-N 3.33Å; N148-K150 PolarHBondContact O-N 3.01Å
149	L	52	Low	73.7	Confident	154 Å²	154	98.7 Å²	98.7	81%	0.806	51%	0.509	S	S	*	.			trans	-55.2	107.6	175.5	-93.4	148.1	0	0	0	103.9	N147 V151	N147-L149 VanDerWaalsContact C-N 3.35Å; N147-L149 PolarHBondContact O-N 3.24Å; L149-V151 PolarHBondContact O-N 3.25Å
150	K	52.9	Low	73.8	Confident	202 Å²	202	100.1 Å²	100.1	88%	0.878	52%	0.516	S	S	*	.			trans	-65.4	87.7	168.1	-78.7	-173.6	176.4	-179.2	0	104.3	N148 S152	N148-K150 VanDerWaalsContact C-N 3.33Å; N148-K150 PolarHBondContact O-N 3.01Å; K150-S152 PolarHBondContact O-N 2.03Å
151	V	60.3	Low	74	Confident	94 Å²	94	95.1 Å²	95.1	57%	0.57	50%	0.503	S	S	*	.			trans	-59.2	109.6	175.8	-173.8	0	0	0	0	104.6	L149 T153 I156	L149-V151 PolarHBondContact O-N 3.25Å; V151-T153 PolarHBondContact O-N 2.02Å; V151-I156 HydrophobicContact CB-CD1 4.24Å; V151-I156 HydrophobicContact CG1-CD1 3.45Å; V151-I156 VanDerWaalsContact CG1-CD1 3.45Å; V151-I156 HydrophobicContact CG1-CG1 3.68Å
152	S	68.7	Low	74.1	Confident	50 Å²	50	97.7 Å²	97.7	35%	0.35	52%	0.515	S	S	.	.			trans	-59.4	116.7	-178.7	179.1	0	0	0	0	107.1	K150 I154 L155 I156	K150-S152 PolarHBondContact O-N 2.03Å; S152-I154 PolarHBondContact O-N 3.19Å; S152-L155 WeakPolarHBondContact O-CB 3.34Å; S152-L155 PolarHBondContact O-N 3.07Å; S152-I156 PolarHBondContact O-N 2.98Å
153	T	73.4	Confident	74.1	Confident	111 Å²	111	100.7 Å²	100.7	68%	0.681	53%	0.532	S	S	*	.	H	α-helix	trans	-53.9	-29.2	177.6	43.4	0	0	0	0	111.2	V151 I156 S157	V151-T153 PolarHBondContact O-N 2.02Å; T153-I156 PolarHBondContact O-N 3.43Å; T153-S157 PolarHBondContact O-N 2.03Å; T153-S157 PolarHBondContact O-OG 2.86Å
154	I	75.7	Confident	73.6	Confident	121 Å²	121	105.4 Å²	105.4	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-42.5	175.5	-57	173.6	0	0	0	111.7	S152 S157 F158	S152-I154 PolarHBondContact O-N 3.19Å; I154-S157 WeakPolarHBondContact CA-OG 3.4Å; I154-S157 PolarHBondContact O-N 3.47Å; I154-S157 PolarHBondContact O-OG 3.2Å; I154-F158 WeakPolarHBondContact O-CB 3.33Å; I154-F158 PolarHBondContact O-N 2.81Å
155	L	75.9	Confident	73	Confident	109 Å²	109	109.2 Å²	109.2	57%	0.571	58%	0.576	S	S	*	*	H	α-helix	trans	-67.5	-39.8	178.5	-84.2	165.4	0	0	0	111.4	S152 F158 I159	S152-L155 WeakPolarHBondContact O-CB 3.34Å; S152-L155 PolarHBondContact O-N 3.07Å; L155-F158 PolarHBondContact O-N 3.04Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.02Å; L155-I159 PolarHBondContact O-N 2.95Å
156	I	80.1	Confident	72.9	Confident	80 Å²	80	113.4 Å²	113.4	41%	0.41	59%	0.586	S	S	.	*	H	α-helix	trans	-63.7	-46.9	174.7	-62.9	165.2	0	0	0	109.9	V151 S152 T153 F158 I159 I160	V151-I156 HydrophobicContact CB-CD1 4.24Å; V151-I156 HydrophobicContact CG1-CD1 3.45Å; V151-I156 VanDerWaalsContact CG1-CD1 3.45Å; V151-I156 HydrophobicContact CG1-CG1 3.68Å; S152-I156 PolarHBondContact O-N 2.98Å; T153-I156 PolarHBondContact O-N 3.43Å; I156-F158 VanDerWaalsContact C-N 3.29Å; I156-F158 PolarHBondContact O-N 3.44Å; I156-I159 PolarHBondContact O-N 2.82Å; I156-I160 HydrophobicContact CG2-CD1 3.72Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.02Å; I156-I160 PolarHBondContact O-N 2.83Å
157	S	79.4	Confident	73.1	Confident	55 Å²	55	115 Å²	115	39%	0.385	59%	0.59	S	S	.	*	H	α-helix	trans	-62.2	-36.7	178.2	58.2	0	0	0	0	112.6	T153 I154 I160 I161	T153-S157 PolarHBondContact O-N 2.03Å; T153-S157 PolarHBondContact O-OG 2.86Å; I154-S157 WeakPolarHBondContact CA-OG 3.4Å; I154-S157 PolarHBondContact O-N 3.47Å; I154-S157 PolarHBondContact O-OG 3.2Å; S157-I160 PolarHBondContact O-N 3.14Å; S157-I161 WeakPolarHBondContact O-CD1 3.17Å; S157-I161 VanDerWaalsContact O-CG1 3.24Å; S157-I161 WeakPolarHBondContact O-CG1 3.19Å; S157-I161 PolarHBondContact O-N 3.33Å
158	F	84.2	Confident	73	Confident	122 Å²	122	119.1 Å²	119.1	54%	0.535	61%	0.605	S	S	.	*	H	α-helix	trans	-66.7	-43.8	177.5	-175.2	-99.1	0	0	0	111.6	I154 L155 I156 I160 I161 M162	I154-F158 WeakPolarHBondContact O-CB 3.33Å; I154-F158 PolarHBondContact O-N 2.81Å; L155-F158 PolarHBondContact O-N 3.04Å; I156-F158 VanDerWaalsContact C-N 3.29Å; I156-F158 PolarHBondContact O-N 3.44Å; F158-I160 VanDerWaalsContact C-N 3.32Å; F158-I160 PolarHBondContact O-N 3.2Å; F158-I161 PolarHBondContact O-N 3.06Å; F158-M162 HydrophobicContact CD1-CG 4.04Å; F158-M162 HydrophobicContact CE1-CG 3.66Å; F158-M162 HydrophobicContact CE1-SD 4.39Å; F158-M162 HydrophobicContact CE2-CG 4.2Å; F158-M162 HydrophobicContact CE2-SD 4.29Å; F158-M162 HydrophobicContact CG-CG 4.46Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 HydrophobicContact CZ-SD 3.91Å; F158-M162 WeakPolarHBondContact O-CB 3.26Å; F158-M162 VanDerWaalsContact O-CG 3.26Å; F158-M162 WeakPolarHBondContact O-CG 3.18Å; F158-M162 PolarHBondContact O-N 2.89Å
159	I	85.6	Confident	74	Confident	107 Å²	107	117.9 Å²	117.9	55%	0.549	60%	0.596	S	S	.	*	H	α-helix	trans	-62.9	-40.3	176.2	-66.1	167.2	0	0	0	110.8	L155 I156 T163	L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.02Å; L155-I159 PolarHBondContact O-N 2.95Å; I156-I159 PolarHBondContact O-N 2.82Å; I159-T163 WeakPolarHBondContact O-CB 3.16Å; I159-T163 WeakPolarHBondContact O-CG2 3.26Å; I159-T163 PolarHBondContact O-N 3.47Å; I159-T163 PolarHBondContact O-OG1 3.04Å
160	I	86.2	Confident	75.2	Confident	91 Å²	91	115.9 Å²	115.9	47%	0.467	59%	0.585	S	S	.	*	H	α-helix	trans	-64.4	-43.9	176.3	-66.6	168.5	0	0	0	111.1	I156 S157 F158 T163 L164	I156-I160 HydrophobicContact CG2-CD1 3.72Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.02Å; I156-I160 PolarHBondContact O-N 2.83Å; S157-I160 PolarHBondContact O-N 3.14Å; F158-I160 VanDerWaalsContact C-N 3.32Å; F158-I160 PolarHBondContact O-N 3.2Å; I160-T163 WeakPolarHBondContact CA-OG1 3.31Å; I160-T163 PolarHBondContact O-N 3.42Å; I160-T163 PolarHBondContact O-OG1 2.82Å; I160-L164 HydrophobicContact CG2-CD1 3.95Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CB 3.3Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 2.76Å
161	I	85.9	Confident	76.4	Confident	92 Å²	92	111.2 Å²	111.2	47%	0.472	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-44.3	178.6	-69.2	164.3	0	0	0	111	S157 F158 T163 L164 L165	S157-I161 WeakPolarHBondContact O-CD1 3.17Å; S157-I161 VanDerWaalsContact O-CG1 3.24Å; S157-I161 WeakPolarHBondContact O-CG1 3.19Å; S157-I161 PolarHBondContact O-N 3.33Å; F158-I161 PolarHBondContact O-N 3.06Å; I161-T163 VanDerWaalsContact C-N 3.31Å; I161-T163 PolarHBondContact O-N 3.07Å; I161-L164 PolarHBondContact O-N 2.63Å; I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CB 3.38Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 3.47Å
162	M	83.2	Confident	77.3	Confident	96 Å²	96	112.2 Å²	112.2	47%	0.473	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-34.5	179.2	-69.1	-61.5	-61.8	0	0	112.5	F158 W166	F158-M162 HydrophobicContact CD1-CG 4.04Å; F158-M162 HydrophobicContact CE1-CG 3.66Å; F158-M162 HydrophobicContact CE1-SD 4.39Å; F158-M162 HydrophobicContact CE2-CG 4.2Å; F158-M162 HydrophobicContact CE2-SD 4.29Å; F158-M162 HydrophobicContact CG-CG 4.46Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 HydrophobicContact CZ-SD 3.91Å; F158-M162 WeakPolarHBondContact O-CB 3.26Å; F158-M162 VanDerWaalsContact O-CG 3.26Å; F158-M162 WeakPolarHBondContact O-CG 3.18Å; F158-M162 PolarHBondContact O-N 2.89Å; M162-W166 WeakPolarHBondContact O-CB 3.3Å; M162-W166 PolarHBondContact O-N 2.94Å; M162-W166 VanDerWaalsContact O-N 3.14Å
163	T	81.7	Confident	77.9	Confident	67 Å²	67	116.1 Å²	116.1	41%	0.411	58%	0.582	S	S	.	*	H	α-helix	trans	-72.7	-37.2	175.4	47.5	0	0	0	0	112.1	I159 I160 I161 W166 I167	I159-T163 WeakPolarHBondContact O-CB 3.16Å; I159-T163 WeakPolarHBondContact O-CG2 3.26Å; I159-T163 PolarHBondContact O-N 3.47Å; I159-T163 PolarHBondContact O-OG1 3.04Å; I160-T163 WeakPolarHBondContact CA-OG1 3.31Å; I160-T163 PolarHBondContact O-N 3.42Å; I160-T163 PolarHBondContact O-OG1 2.82Å; I161-T163 VanDerWaalsContact C-N 3.31Å; I161-T163 PolarHBondContact O-N 3.07Å; T163-W166 PolarHBondContact O-N 3.4Å; T163-I167 WeakPolarHBondContact O-CD1 3.27Å; T163-I167 VanDerWaalsContact O-CG1 3.3Å; T163-I167 WeakPolarHBondContact O-CG1 3.29Å; T163-I167 PolarHBondContact O-N 2.77Å
164	L	78.2	Confident	78.2	Confident	109 Å²	109	116.4 Å²	116.4	57%	0.571	58%	0.576	S	S	*	*	H	α-helix	trans	-66.5	-39.5	173.3	-71.1	170.2	0	0	0	112.5	I160 I161 W166 I167 H168	I160-L164 HydrophobicContact CG2-CD1 3.95Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CB 3.3Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 2.76Å; I161-L164 PolarHBondContact O-N 2.63Å; L164-W166 VanDerWaalsContact C-N 3.26Å; L164-W166 PolarHBondContact O-N 3.22Å; L164-I167 PolarHBondContact O-N 2.71Å; L164-H168 PolarHBondContact O-N 3.34Å
165	L	76.1	Confident	78.4	Confident	112 Å²	112	116.1 Å²	116.1	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-69.8	-20.8	175.3	-73.4	170.9	0	0	0	113.5	I161	I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CB 3.38Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 3.47Å
166	W	73.9	Confident	78.5	Confident	224 Å²	224	116.6 Å²	116.6	85%	0.848	57%	0.573	S	S	*	*	H	α-helix	trans	-86.4	-21.5	177.3	-173.9	58.6	0	0	0	112.9	M162 T163 L164	M162-W166 WeakPolarHBondContact O-CB 3.3Å; M162-W166 PolarHBondContact O-N 2.94Å; M162-W166 VanDerWaalsContact O-N 3.14Å; T163-W166 PolarHBondContact O-N 3.4Å; L164-W166 VanDerWaalsContact C-N 3.26Å; L164-W166 PolarHBondContact O-N 3.22Å
167	I	72.9	Confident	78.4	Confident	135 Å²	135	119.7 Å²	119.7	69%	0.692	59%	0.586	S	S	*	*	H	α-helix	trans	-84.4	-18	176.6	-66.8	163.5	0	0	0	111.4	T163 L164	T163-I167 WeakPolarHBondContact O-CD1 3.27Å; T163-I167 VanDerWaalsContact O-CG1 3.3Å; T163-I167 WeakPolarHBondContact O-CG1 3.29Å; T163-I167 PolarHBondContact O-N 2.77Å; L164-I167 PolarHBondContact O-N 2.71Å
168	H	53.8	Low	78.3	Confident	226 Å²	226	125.5 Å²	125.5	100%	1.046	61%	0.605	S	S	*	*			trans	-106.5	0	-179.6	-119.7	-51.8	0	0	0	112.7	L164	L164-H168 PolarHBondContact O-N 3.34Å

Retrieved 168 of 168 residues in 97.9 ms (Link to these results)

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