A0A077Z809_TRITR Loading...

MULE transposase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z809, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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	28.6	Very low	28.7	Very low	215 Å²	215	146.5 Å²	146.5	100%	1.059	71%	0.705	S	S	*	*				0	91.1	0	-159.9	170.1	165.3	0	0	106.9	I3	M1-I3 PolarHBondContact O-N 3.17Å
2	S	26.4	Very low	28.7	Very low	127 Å²	127	149.5 Å²	149.5	89%	0.888	71%	0.706	S	S	*	*			trans	-92.2	105.7	-165.9	-51.9	0	0	0	0	109.5	L4	S2-L4 PolarHBondContact O-N 3.16Å; S2-L4 VanDerWaalsContact O-N 3.13Å
3	I	25.4	Very low	28.7	Very low	142 Å²	142	152.9 Å²	152.9	73%	0.728	72%	0.717	S	S	*	*			trans	-67	105.8	172.7	-67	165.7	0	0	0	107.4	M1 R5	M1-I3 PolarHBondContact O-N 3.17Å; I3-R5 HydrophobicContact CG2-CB 4.29Å; I3-R5 HydrophobicContact CG2-CG 3.84Å; I3-R5 PolarHBondContact O-N 3.12Å
4	L	24.5	Very low	29	Very low	145 Å²	145	149 Å²	149	76%	0.759	70%	0.696	S	S	*	*			trans	-73.2	79.8	167.1	-162	78.9	0	0	0	108.1	S2 I6	S2-L4 PolarHBondContact O-N 3.16Å; S2-L4 VanDerWaalsContact O-N 3.13Å; L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 HydrophobicContact CD2-CD1 4.06Å; L4-I6 HydrophobicContact CD2-CG1 3.98Å; L4-I6 HydrophobicContact CG-CG1 4.12Å; L4-I6 PolarHBondContact O-N 2.95Å
5	R	26	Very low	29.2	Very low	199 Å²	199	153.8 Å²	153.8	75%	0.751	71%	0.705	S	S	*	*			trans	-70.2	87.7	167.7	-105.3	-179.3	-179.4	-162.5	0.8	107.5	I3 R7	I3-R5 HydrophobicContact CG2-CB 4.29Å; I3-R5 HydrophobicContact CG2-CG 3.84Å; I3-R5 PolarHBondContact O-N 3.12Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R5-R7 PolarHBondContact O-N 3.29Å
6	I	30.4	Very low	29.8	Very low	110 Å²	110	152.9 Å²	152.9	56%	0.564	71%	0.706	S	S	*	*			trans	-66.7	98.1	164.5	-59.6	176.9	0	0	0	106.4	L4 F8	L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 HydrophobicContact CD2-CD1 4.06Å; L4-I6 HydrophobicContact CD2-CG1 3.98Å; L4-I6 HydrophobicContact CG-CG1 4.12Å; L4-I6 PolarHBondContact O-N 2.95Å; I6-F8 PolarHBondContact O-N 3.5Å
7	R	27.1	Very low	29.9	Very low	175 Å²	175	147.4 Å²	147.4	66%	0.66	70%	0.7	S	S	*	*			trans	-74.6	104.2	171.9	-69.2	-150.7	-161.4	-158.1	9.7	108.4	R5 Q9 Q10	R5-R7 VanDerWaalsContact C-N 3.33Å; R5-R7 PolarHBondContact O-N 3.29Å; R7-Q9 PolarHBondContact O-N 2.96Å; R7-Q10 PolarHBondContact O-N 2.91Å
8	F	33.7	Very low	30.5	Very low	100 Å²	100	146.3 Å²	146.3	44%	0.439	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-54	-11.8	174	-101.9	-94.5	0	0	0	115.2	I6 Q10 L11	I6-F8 PolarHBondContact O-N 3.5Å; F8-Q10 PolarHBondContact O-N 3.35Å; F8-L11 PolarHBondContact O-N 3.27Å
9	Q	31.1	Very low	31.2	Very low	146 Å²	146	146.8 Å²	146.8	68%	0.682	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-65	-16.7	176.8	-79.6	-177.7	-24.9	0	0	114.4	R7 L11	R7-Q9 PolarHBondContact O-N 2.96Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 2.85Å
10	Q	31.4	Very low	32.1	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-77.6	-11.4	176.5	-94.4	-178.8	-13	0	0	114.7	R7 F8 Y12	R7-Q10 PolarHBondContact O-N 2.91Å; F8-Q10 PolarHBondContact O-N 3.35Å; Q10-Y12 VanDerWaalsContact C-N 3.26Å; Q10-Y12 PolarHBondContact O-N 3.29Å
11	L	31.1	Very low	32.9	Very low	70 Å²	70	139.6 Å²	139.6	37%	0.366	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-76.4	-5.5	179.6	-105.7	99.5	0	0	0	114.7	F8 Q9 F13	F8-L11 PolarHBondContact O-N 3.27Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 2.85Å; L11-F13 PolarHBondContact O-N 3.26Å; L11-F13 VanDerWaalsContact O-N 3.14Å
12	Y	29.1	Very low	33.7	Very low	182 Å²	182	134.4 Å²	134.4	71%	0.714	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-72.5	-2	-173.7	-86.3	-82.8	0	0	0	115.8	Q10	Q10-Y12 VanDerWaalsContact C-N 3.26Å; Q10-Y12 PolarHBondContact O-N 3.29Å
13	F	29	Very low	34.6	Very low	194 Å²	194	130.9 Å²	130.9	85%	0.851	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-141.3	58.6	-179.8	-75.8	-86.1	0	0	0	112.4	L11 R15	L11-F13 PolarHBondContact O-N 3.26Å; L11-F13 VanDerWaalsContact O-N 3.14Å; F13-R15 VanDerWaalsContact C-N 3.27Å; F13-R15 PolarHBondContact O-N 3.42Å
14	F	33	Very low	35.3	Very low	98 Å²	98	133.4 Å²	133.4	43%	0.43	62%	0.62	S	S	.	*			trans	-66.8	101	146	-103.3	-88.7	0	0	0	106.4	I16 P73	F14-I16 VanDerWaalsContact C-N 3.32Å; F14-I16 PolarHBondContact O-N 3.18Å; F14-P73 HydrophobicContact CE2-CB 3.93Å; F14-P73 HydrophobicContact CE2-CG 3.9Å; F14-P73 HydrophobicContact CZ-CB 4.22Å; F14-P73 HydrophobicContact CZ-CG 4.48Å
15	R	31.5	Very low	36.5	Very low	221 Å²	221	130.5 Å²	130.5	83%	0.834	62%	0.617	S	S	*	*			trans	-59.2	99.4	166.8	-167.6	178.9	-170.8	-171.9	1.9	106.4	F13 G17	F13-R15 VanDerWaalsContact C-N 3.27Å; F13-R15 PolarHBondContact O-N 3.42Å; R15-G17 PolarHBondContact O-N 2.89Å
16	I	38.4	Very low	37.9	Very low	140 Å²	140	123.3 Å²	123.3	72%	0.718	59%	0.593	S	S	*	*			trans	-69.7	82.3	171.2	-44.6	-177.6	0	0	0	105.6	F14 V20	F14-I16 VanDerWaalsContact C-N 3.32Å; F14-I16 PolarHBondContact O-N 3.18Å; I16-V20 HydrophobicContact CG2-CG2 3.99Å
17	G	32.3	Very low	39.5	Very low	58 Å²	58	119 Å²	119	60%	0.598	58%	0.576	S	S	*	*			trans	-143.7	7.8	-173.5	0	0	0	0	0	113.7	R15	R15-G17 PolarHBondContact O-N 2.89Å
18	E	40.6	Very low	41.5	Very low	129 Å²	129	110.7 Å²	110.7	60%	0.603	55%	0.545	S	S	*	.	S	Bend	trans	-139.4	146.3	176.4	-65.2	-176	144.6	0	0	107.6	V20 R31	E18-V20 WeakPolarHBondContact O-CG2 3.09Å; E18-V20 PolarHBondContact O-N 3.02Å; E18-R31 IonicContact OE2-CZ 3.64Å; E18-R31 IonicContact OE2-NH1 3.48Å; E18-R31 PolarHBondContact OE2-NH1 3.32Å; E18-R31 IonicContact OE2-NH2 3.39Å; E18-R31 PolarHBondContact OE2-NH2 2.93Å
19	E	43	Very low	43.4	Very low	156 Å²	156	108.9 Å²	108.9	73%	0.729	54%	0.537	S	S	*	.			trans	-38.5	99.4	-167.2	-67	179.4	164.4	0	0	114.1	L32	E19-L32 HydrophobicContact CB-CD1 4.13Å
20	V	49.9	Very low	45.2	Very low	46 Å²	46	102.5 Å²	102.5	28%	0.279	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.3	168.2	178.3	0	0	0	0	106.6	I16 E18 L22 F29	I16-V20 HydrophobicContact CG2-CG2 3.99Å; E18-V20 WeakPolarHBondContact O-CG2 3.09Å; E18-V20 PolarHBondContact O-N 3.02Å; V20-L22 PolarHBondContact O-N 2.91Å; V20-F29 HydrophobicContact CG1-CB 3.92Å; V20-F29 HydrophobicContact CG1-CD1 3.9Å; V20-F29 HydrophobicContact CG1-CG 4.41Å
21	E	49.1	Very low	47.2	Very low	95 Å²	95	98 Å²	98	44%	0.444	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.9	169.8	-164.5	178.2	-178.5	0	0	108.7	L32	E21-L32 HydrophobicContact CB-CD2 3.94Å; E21-L32 HydrophobicContact CB-CG 4.37Å; E21-L32 VanDerWaalsContact OE2-CD2 3.3Å; E21-L32 WeakPolarHBondContact OE2-CD2 3.43Å
22	L	44	Very low	49.2	Very low	107 Å²	107	98.8 Å²	98.8	56%	0.56	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.3	171.2	-63.8	175.6	0	0	0	107.9	V20 E24 F29	V20-L22 PolarHBondContact O-N 2.91Å; L22-E24 PolarHBondContact O-N 3.06Å; L22-E24 VanDerWaalsContact O-N 3.08Å; L22-F29 HydrophobicContact CD2-CD1 3.37Å; L22-F29 HydrophobicContact CD2-CE1 3.14Å; L22-F29 HydrophobicContact CD2-CZ 4.14Å
23	L	45.5	Very low	51.6	Low	53 Å²	53	93.6 Å²	93.6	28%	0.277	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	97.4	162	-75.5	176.2	0	0	0	108	A25 N26 A93 M97	L23-A25 PolarHBondContact O-N 3.27Å; L23-N26 PolarHBondContact O-N 3.44Å; L23-A93 HydrophobicContact CD1-CB 4.07Å; L23-M97 HydrophobicContact CD1-CG 3.4Å; L23-M97 VanDerWaalsContact CD1-CG 3.4Å; L23-M97 HydrophobicContact CD1-SD 3.72Å; L23-M97 HydrophobicContact CG-CG 4.3Å; L23-M97 HydrophobicContact CG-SD 4.4Å
24	E	40.8	Very low	54.2	Low	195 Å²	195	84.9 Å²	84.9	91%	0.911	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	4.8	-170	-74.9	-169.6	149.5	0	0	116.9	L22	L22-E24 PolarHBondContact O-N 3.06Å; L22-E24 VanDerWaalsContact O-N 3.08Å
25	A	49.8	Very low	56.6	Low	84 Å²	84	81.1 Å²	81.1	69%	0.694	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-20.5	179.7	0	0	0	0	0	115.5	L23	L23-A25 PolarHBondContact O-N 3.27Å
26	N	55.5	Low	59.2	Low	47 Å²	47	74.7 Å²	74.7	25%	0.251	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	12.6	-167.1	-65	-58.2	0	0	0	115.7	L23 I28	L23-N26 PolarHBondContact O-N 3.44Å; N26-I28 VanDerWaalsContact C-N 3.31Å; N26-I28 HydrophobicContact CB-CD1 4.16Å; N26-I28 HydrophobicContact CB-CG1 3.99Å; N26-I28 PolarHBondContact O-N 3.36Å
27	G	64.5	Low	61.6	Low	20 Å²	20	69.8 Å²	69.8	21%	0.206	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	41.4	178.3	0	0	0	0	0	113.2	F29 A77 L78	G27-F29 VanDerWaalsContact C-CE2 3.48Å; G27-F29 VanDerWaalsContact O-CD2 3.29Å; G27-F29 WeakPolarHBondContact O-CD2 3.42Å; G27-F29 WeakPolarHBondContact O-CE2 3.35Å; G27-A77 CarbonylContact O-C 3.55Å; G27-A77 WeakPolarHBondContact O-CA 3.21Å; G27-L78 PolarHBondContact O-N 3.4Å
28	I	68.3	Low	64.2	Low	1 Å²	1	67 Å²	67	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.4	178.5	-51.1	-170.9	0	0	0	109.3	N26 L75 V76 A77 T90 A93 M97	N26-I28 VanDerWaalsContact C-N 3.31Å; N26-I28 HydrophobicContact CB-CD1 4.16Å; N26-I28 HydrophobicContact CB-CG1 3.99Å; N26-I28 PolarHBondContact O-N 3.36Å; I28-L75 HydrophobicContact CG2-CD1 3.72Å; I28-L75 HydrophobicContact CG2-CD2 3.68Å; I28-L75 HydrophobicContact CG2-CG 3.58Å; I28-V76 CarbonylContact C-O 3.5Å; I28-V76 WeakPolarHBondContact CA-O 3.43Å; I28-A77 HydrophobicContact CB-CB 4.36Å; I28-A77 HydrophobicContact CD1-CB 4.24Å; I28-A77 HydrophobicContact CG1-CB 3.73Å; I28-A77 HydrophobicContact CG2-CB 4.32Å; I28-T90 HydrophobicContact CD1-CG2 4.21Å; I28-A93 HydrophobicContact CD1-CB 3.4Å; I28-M97 HydrophobicContact CB-SD 4.43Å; I28-M97 HydrophobicContact CG2-SD 3.67Å
29	F	73.4	Confident	66.6	Low	62 Å²	62	64.5 Å²	64.5	27%	0.272	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.7	-174.5	-52.5	-96	0	0	0	108.9	V20 L22 G27 L75 V76 L78	V20-F29 HydrophobicContact CG1-CB 3.92Å; V20-F29 HydrophobicContact CG1-CD1 3.9Å; V20-F29 HydrophobicContact CG1-CG 4.41Å; L22-F29 HydrophobicContact CD2-CD1 3.37Å; L22-F29 HydrophobicContact CD2-CE1 3.14Å; L22-F29 HydrophobicContact CD2-CZ 4.14Å; G27-F29 VanDerWaalsContact C-CE2 3.48Å; G27-F29 VanDerWaalsContact O-CD2 3.29Å; G27-F29 WeakPolarHBondContact O-CD2 3.42Å; G27-F29 WeakPolarHBondContact O-CE2 3.35Å; F29-L75 CarbonylContact O-C 3.59Å; F29-L75 WeakPolarHBondContact O-CA 3.31Å; F29-V76 PolarHBondContact N-O 3.24Å; F29-V76 PolarHBondContact O-N 2.88Å; F29-L78 HydrophobicContact CE2-CD1 3.8Å; F29-L78 HydrophobicContact CE2-CG 3.86Å; F29-L78 HydrophobicContact CZ-CD1 4.21Å
30	G	68.7	Low	68.7	Low	11 Å²	11	64.9 Å²	64.9	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.5	174.2	0	0	0	0	0	109.6
31	R	73.2	Confident	70.6	Confident	88 Å²	88	62.8 Å²	62.8	33%	0.332	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.7	171.3	-67	180	166.6	-147.5	-14	108.6	E18 S33 N34	E18-R31 IonicContact OE2-CZ 3.64Å; E18-R31 IonicContact OE2-NH1 3.48Å; E18-R31 PolarHBondContact OE2-NH1 3.32Å; E18-R31 IonicContact OE2-NH2 3.39Å; E18-R31 PolarHBondContact OE2-NH2 2.93Å; R31-S33 PolarHBondContact O-N 2.99Å; R31-N34 VanDerWaalsContact O-CB 3.22Å; R31-N34 WeakPolarHBondContact O-CB 3.44Å; R31-N34 PolarHBondContact O-N 3.33Å
32	L	73	Confident	72.4	Confident	88 Å²	88	62.9 Å²	62.9	46%	0.461	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.3	-36.1	173.6	-72.7	175.8	0	0	0	112	E19 E21 N34 G35	E19-L32 HydrophobicContact CB-CD1 4.13Å; E21-L32 HydrophobicContact CB-CD2 3.94Å; E21-L32 HydrophobicContact CB-CG 4.37Å; E21-L32 VanDerWaalsContact OE2-CD2 3.3Å; E21-L32 WeakPolarHBondContact OE2-CD2 3.43Å; L32-N34 PolarHBondContact O-N 3.34Å; L32-N34 VanDerWaalsContact O-N 3.12Å; L32-G35 PolarHBondContact O-N 3.26Å
33	S	81	Confident	74.4	Confident	72 Å²	72	60.1 Å²	60.1	50%	0.503	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17.1	176.4	58.4	0	0	0	0	114.3	R31 G35 A36 W37	R31-S33 PolarHBondContact O-N 2.99Å; S33-G35 VanDerWaalsContact C-N 3.27Å; S33-G35 PolarHBondContact O-N 2.89Å; S33-A36 PolarHBondContact O-N 3.33Å; S33-W37 PolarHBondContact O-NE1 2.92Å
34	N	83.8	Confident	76.4	Confident	11 Å²	11	57.9 Å²	57.9	6%	0.059	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66.7	-31.2	172.4	-66.8	-18.4	0	0	0	111.9	R31 L32 A36 W37 S38 M41 V74 L98	R31-N34 VanDerWaalsContact O-CB 3.22Å; R31-N34 WeakPolarHBondContact O-CB 3.44Å; R31-N34 PolarHBondContact O-N 3.33Å; L32-N34 PolarHBondContact O-N 3.34Å; L32-N34 VanDerWaalsContact O-N 3.12Å; N34-A36 VanDerWaalsContact C-N 3.29Å; N34-A36 PolarHBondContact O-N 3.28Å; N34-W37 PolarHBondContact O-N 3.23Å; N34-S38 WeakPolarHBondContact O-CB 3.31Å; N34-S38 PolarHBondContact O-N 2.59Å; N34-S38 VanDerWaalsContact O-N 3.09Å; N34-M41 HydrophobicContact CB-CE 4.02Å; N34-M41 VanDerWaalsContact O-CE 3.29Å; N34-M41 WeakPolarHBondContact O-CE 3.35Å; N34-V74 VanDerWaalsContact ND2-CA 3.34Å; N34-V74 WeakPolarHBondContact ND2-CA 3Å; N34-V74 PolarHBondContact ND2-O 3.31Å; N34-L98 HydrophobicContact CB-CD2 4.11Å
35	G	82.5	Confident	78.5	Confident	19 Å²	19	49.5 Å²	49.5	20%	0.196	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-57.7	-42.1	175.8	0	0	0	0	0	112.3	L32 S33 W37 S38	L32-G35 PolarHBondContact O-N 3.26Å; S33-G35 VanDerWaalsContact C-N 3.27Å; S33-G35 PolarHBondContact O-N 2.89Å; G35-W37 PolarHBondContact O-N 2.96Å; G35-W37 VanDerWaalsContact O-N 3.09Å; G35-S38 WeakPolarHBondContact O-CB 3.33Å; G35-S38 PolarHBondContact O-N 2.83Å; G35-S38 VanDerWaalsContact O-N 3.13Å; G35-S38 PolarHBondContact O-OG 3.11Å
36	A	86	Confident	80.1	Confident	87 Å²	87	45.7 Å²	45.7	72%	0.719	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-64.4	-16.2	-175.1	0	0	0	0	0	115.3	S33 N34	S33-A36 PolarHBondContact O-N 3.33Å; N34-A36 VanDerWaalsContact C-N 3.29Å; N34-A36 PolarHBondContact O-N 3.28Å
37	W	88	Confident	81.3	Confident	36 Å²	36	44.8 Å²	44.8	14%	0.136	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-130.6	15.8	175.6	64	-82.2	0	0	0	112.6	S33 N34 G35 N39 Y40 M41 A65 V74	S33-W37 PolarHBondContact O-NE1 2.92Å; N34-W37 PolarHBondContact O-N 3.23Å; G35-W37 PolarHBondContact O-N 2.96Å; G35-W37 VanDerWaalsContact O-N 3.09Å; W37-N39 PolarHBondContact O-N 3.15Å; W37-Y40 HydrophobicContact CB-CD2 3.92Å; W37-Y40 WeakPolarHBondContact O-CB 3.45Å; W37-Y40 PolarHBondContact O-N 3.33Å; W37-M41 HydrophobicContact CD2-CE 3.64Å; W37-M41 HydrophobicContact CE3-CE 3.67Å; W37-M41 HydrophobicContact CE3-CG 3.67Å; W37-M41 HydrophobicContact CG-CE 4.43Å; W37-M41 HydrophobicContact CH2-CE 3.59Å; W37-M41 HydrophobicContact CH2-CG 4.12Å; W37-M41 HydrophobicContact CH2-SD 4.45Å; W37-M41 HydrophobicContact CZ2-CE 3.54Å; W37-M41 HydrophobicContact CZ3-CE 3.66Å; W37-M41 HydrophobicContact CZ3-CG 3.43Å; W37-M41 VanDerWaalsContact CZ3-CG 3.43Å; W37-M41 HydrophobicContact CZ3-SD 4.28Å; W37-A65 HydrophobicContact CH2-CB 4.16Å; W37-A65 HydrophobicContact CZ3-CB 4.23Å; W37-V74 HydrophobicContact CH2-CG1 3.82Å; W37-V74 HydrophobicContact CZ2-CG1 3.99Å
38	S	88.3	Confident	81.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.7	-176.1	67.5	0	0	0	0	112.7	N34 G35 Y40 M41 L101	N34-S38 WeakPolarHBondContact O-CB 3.31Å; N34-S38 PolarHBondContact O-N 2.59Å; N34-S38 VanDerWaalsContact O-N 3.09Å; G35-S38 WeakPolarHBondContact O-CB 3.33Å; G35-S38 PolarHBondContact O-N 2.83Å; G35-S38 VanDerWaalsContact O-N 3.13Å; G35-S38 PolarHBondContact O-OG 3.11Å; S38-Y40 PolarHBondContact O-N 3.3Å; S38-M41 WeakPolarHBondContact O-CB 3.04Å; S38-M41 PolarHBondContact O-N 3.03Å; S38-L101 VanDerWaalsContact O-CD1 3.29Å; S38-L101 WeakPolarHBondContact O-CD1 3.1Å
39	N	89.8	Confident	81.7	Confident	77 Å²	77	47.5 Å²	47.5	41%	0.412	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.8	-13.8	172.6	68.2	-56.8	0	0	0	114.7	W37 D100	W37-N39 PolarHBondContact O-N 3.15Å; N39-D100 WeakPolarHBondContact CA-O 3.41Å; N39-D100 HydrophobicContact CB-CB 4.36Å
40	Y	88.8	Confident	81.2	Confident	164 Å²	164	48.4 Å²	48.4	64%	0.643	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-99.5	0.2	175.9	-57.4	-78.4	0	0	0	113.1	W37 S38 E42	W37-Y40 HydrophobicContact CB-CD2 3.92Å; W37-Y40 WeakPolarHBondContact O-CB 3.45Å; W37-Y40 PolarHBondContact O-N 3.33Å; S38-Y40 PolarHBondContact O-N 3.3Å; Y40-E42 VanDerWaalsContact C-N 3.3Å; Y40-E42 PolarHBondContact O-N 3.44Å
41	M	89.7	Confident	81	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.289	C	S	.	.			trans	-83.2	74.1	179.5	-60.1	174	-171	0	0	110.2	N34 W37 S38 L44 A65 V74 L101	N34-M41 HydrophobicContact CB-CE 4.02Å; N34-M41 VanDerWaalsContact O-CE 3.29Å; N34-M41 WeakPolarHBondContact O-CE 3.35Å; W37-M41 HydrophobicContact CD2-CE 3.64Å; W37-M41 HydrophobicContact CE3-CE 3.67Å; W37-M41 HydrophobicContact CE3-CG 3.67Å; W37-M41 HydrophobicContact CG-CE 4.43Å; W37-M41 HydrophobicContact CH2-CE 3.59Å; W37-M41 HydrophobicContact CH2-CG 4.12Å; W37-M41 HydrophobicContact CH2-SD 4.45Å; W37-M41 HydrophobicContact CZ2-CE 3.54Å; W37-M41 HydrophobicContact CZ3-CE 3.66Å; W37-M41 HydrophobicContact CZ3-CG 3.43Å; W37-M41 VanDerWaalsContact CZ3-CG 3.43Å; W37-M41 HydrophobicContact CZ3-SD 4.28Å; S38-M41 WeakPolarHBondContact O-CB 3.04Å; S38-M41 PolarHBondContact O-N 3.03Å; M41-L44 HydrophobicContact CB-CD2 3.96Å; M41-A65 HydrophobicContact CB-CB 3.78Å; M41-A65 HydrophobicContact CG-CB 3.58Å; M41-A65 HydrophobicContact SD-CB 3.9Å; M41-V74 HydrophobicContact CE-CB 4.22Å; M41-V74 HydrophobicContact CE-CG1 3.68Å; M41-V74 HydrophobicContact SD-CB 4.29Å; M41-V74 HydrophobicContact SD-CG1 3.91Å; M41-V74 HydrophobicContact SD-CG2 4.28Å; M41-L101 HydrophobicContact CB-CD1 3.53Å; M41-L101 HydrophobicContact CG-CD1 4.3Å; M41-L101 HydrophobicContact SD-CD1 4.02Å
42	E	86.4	Confident	80.8	Confident	97 Å²	97	52.1 Å²	52.1	45%	0.453	29%	0.29	S	S	.	.			trans	-68.8	-41.2	-174.8	-64.9	-179.7	164.2	0	0	112.4	Y40 P103 Q104 S105	Y40-E42 VanDerWaalsContact C-N 3.3Å; Y40-E42 PolarHBondContact O-N 3.44Å; E42-P103 CarbonylContact O-C 3.48Å; E42-P103 WeakPolarHBondContact O-CA 3.45Å; E42-Q104 HydrophobicContact CB-CB 4.43Å; E42-Q104 HydrophobicContact CB-CG 4.29Å; E42-Q104 HydrophobicContact CG-CG 4.47Å; E42-Q104 CarbonylContact O-C 3.56Å; E42-Q104 WeakPolarHBondContact O-CA 3.29Å; E42-Q104 PolarHBondContact O-N 2.84Å; E42-S105 PolarHBondContact O-N 2.92Å
43	N	86.1	Confident	80.8	Confident	50 Å²	50	57.3 Å²	57.3	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.1	-178.3	-57.6	-39.5	0	0	0	111	E66 S105	N43-E66 HydrophobicContact CB-CB 3.88Å; N43-E66 WeakPolarHBondContact CB-OE2 3.4Å; N43-E66 PolarHBondContact ND2-OE2 2.65Å; N43-E66 PolarHBondContact O-N 2.99Å; N43-S105 VanDerWaalsContact CA-OG 3.29Å; N43-S105 WeakPolarHBondContact CA-OG 3.5Å; N43-S105 VanDerWaalsContact CB-OG 3.31Å; N43-S105 WeakPolarHBondContact CB-OG 3.36Å; N43-S105 VanDerWaalsContact CG-OG 3.25Å; N43-S105 PolarHBondContact OD1-OG 2.83Å
44	L	87.2	Confident	80.6	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.1	178.3	-57.7	-179.7	0	0	0	111.8	M41 L63 M64 A65 L101 P103 S105 V106 S107	M41-L44 HydrophobicContact CB-CD2 3.96Å; L44-L63 HydrophobicContact CB-CD1 4.11Å; L44-L63 HydrophobicContact CD1-CD1 4.06Å; L44-L63 HydrophobicContact CD1-CD2 4.34Å; L44-L63 HydrophobicContact CD1-CG 4.48Å; L44-M64 CarbonylContact C-O 3.54Å; L44-M64 VanDerWaalsContact CA-O 3.25Å; L44-M64 WeakPolarHBondContact CA-O 3.39Å; L44-A65 HydrophobicContact CD2-CB 3.75Å; L44-L101 HydrophobicContact CD1-CD1 4.07Å; L44-L101 HydrophobicContact CD1-CD2 3.87Å; L44-L101 HydrophobicContact CD1-CG 4.33Å; L44-L101 HydrophobicContact CD2-CD1 4.33Å; L44-P103 HydrophobicContact CD1-CB 3.66Å; L44-P103 HydrophobicContact CD1-CG 3.79Å; L44-P103 HydrophobicContact CG-CB 3.81Å; L44-P103 HydrophobicContact CG-CG 4.49Å; L44-S105 PolarHBondContact N-O 2.79Å; L44-V106 HydrophobicContact CB-CG1 4.4Å; L44-V106 HydrophobicContact CB-CG2 4.2Å; L44-V106 HydrophobicContact CD1-CG2 4.15Å; L44-V106 WeakPolarHBondContact O-CA 3.4Å; L44-S107 PolarHBondContact O-N 2.86Å
45	V	84.2	Confident	80.3	Confident	19 Å²	19	61.1 Å²	61.1	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	166.8	176.8	0	0	0	0	108.1	M64 F71 S107	V45-M64 HydrophobicContact CB-CE 3.98Å; V45-M64 HydrophobicContact CG1-CE 3.64Å; V45-M64 PolarHBondContact N-O 2.93Å; V45-M64 PolarHBondContact O-N 3.33Å; V45-F71 HydrophobicContact CB-CD1 4.29Å; V45-F71 HydrophobicContact CB-CE1 4.3Å; V45-F71 HydrophobicContact CG2-CD1 3.76Å; V45-F71 HydrophobicContact CG2-CE1 3.33Å; V45-F71 HydrophobicContact CG2-CZ 3.85Å; V45-S107 CarbonylContact C-O 3.56Å; V45-S107 WeakPolarHBondContact CA-O 3.4Å
46	A	84.4	Confident	80.1	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.8	175.7	0	0	0	0	0	109.3	F61 V62 L63 V106 S107 M108	A46-F61 HydrophobicContact CB-CE2 3.8Å; A46-F61 HydrophobicContact CB-CZ 3.7Å; A46-V62 WeakPolarHBondContact CA-O 3.34Å; A46-L63 HydrophobicContact CB-CD1 3.96Å; A46-V106 HydrophobicContact CB-CG1 4.4Å; A46-S107 PolarHBondContact N-O 2.93Å; A46-M108 HydrophobicContact CB-CB 4.15Å; A46-M108 VanDerWaalsContact O-CA 3.31Å; A46-M108 WeakPolarHBondContact O-CA 3.1Å; A46-M108 WeakPolarHBondContact O-CB 3.29Å
47	N	80.8	Confident	79.8	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.144	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.4	-177.8	-165.2	17.4	0	0	0	111.5	F61 V62 N109	N47-F61 CarbonylContact O-C 3.56Å; N47-F61 WeakPolarHBondContact O-CA 3.5Å; N47-V62 PolarHBondContact N-O 2.87Å; N47-V62 PolarHBondContact O-N 3.27Å; N47-N109 PolarHBondContact OD1-ND2 2.73Å
48	V	71.8	Confident	79.4	Confident	28 Å²	28	66 Å²	66	17%	0.17	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123	175.1	178.9	0	0	0	0	108.9	L59 V60 F61 Y87	V48-L59 HydrophobicContact CG1-CB 4.3Å; V48-L59 HydrophobicContact CG1-CD2 4.29Å; V48-V60 CarbonylContact C-O 3.59Å; V48-V60 WeakPolarHBondContact CA-O 3.37Å; V48-F61 HydrophobicContact CG2-CB 4.27Å; V48-F61 HydrophobicContact CG2-CD2 3.7Å; V48-F61 HydrophobicContact CG2-CG 4.48Å; V48-Y87 HydrophobicContact CG2-CE1 3.8Å
49	T	69.7	Low	79	Confident	51 Å²	51	66.2 Å²	66.2	31%	0.313	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.6	174.3	-51.2	0	0	0	0	109.3	L59 V60	T49-L59 CarbonylContact O-C 3.55Å; T49-L59 WeakPolarHBondContact O-CA 3.3Å; T49-V60 PolarHBondContact N-O 3.45Å; T49-V60 PolarHBondContact O-N 3.47Å
50	V	61.5	Low	78.7	Confident	81 Å²	81	63.5 Å²	63.5	49%	0.491	34%	0.335	S	S	.	.			trans	-112.1	21.2	-166.7	-168.3	0	0	0	0	113.9	P58 L59	V50-P58 CarbonylContact C-O 3.59Å; V50-L59 HydrophobicContact CB-CD2 3.82Å; V50-L59 HydrophobicContact CG1-CD2 3.42Å; V50-L59 VanDerWaalsContact CG1-CD2 3.42Å; V50-L59 HydrophobicContact CG2-CD2 3.71Å
51	D	64.9	Low	78.5	Confident	108 Å²	108	56 Å²	56	58%	0.578	31%	0.306	S	S	*	.			trans	-144	86.7	-177.9	-167.3	5.8	0	0	0	113	K53	D51-K53 WeakPolarHBondContact OD1-CG 3.2Å
52	I	68.8	Low	78.2	Confident	69 Å²	69	56.4 Å²	56.4	35%	0.354	31%	0.308	S	S	.	.			trans	-120.1	11.8	167.2	55.8	162.2	0	0	0	113.9	S54 F57 V60 L78	I52-S54 PolarHBondContact O-N 2.99Å; I52-F57 HydrophobicContact CD1-CB 4.38Å; I52-F57 WeakPolarHBondContact CD1-O 3.08Å; I52-F57 WeakPolarHBondContact CG1-O 3.17Å; I52-V60 HydrophobicContact CB-CG2 4.19Å; I52-V60 HydrophobicContact CD1-CG2 3.53Å; I52-V60 HydrophobicContact CG1-CG2 3.93Å; I52-V60 HydrophobicContact CG2-CG2 3.29Å; I52-L78 HydrophobicContact CD1-CD2 3.64Å
53	K	74.4	Confident	78.2	Confident	196 Å²	196	52.4 Å²	52.4	85%	0.852	29%	0.289	S	S	*	.			trans	47.9	31.3	176.1	-57.3	-174.6	177.9	179.9	0	114.5	D51	D51-K53 WeakPolarHBondContact OD1-CG 3.2Å
54	S	75.5	Confident	78.3	Confident	41 Å²	41	51.3 Å²	51.3	29%	0.287	28%	0.283	S	S	.	.			trans	-104	127.4	172.1	173.4	0	0	0	0	109	I52 L56 F57 P58	I52-S54 PolarHBondContact O-N 2.99Å; S54-L56 VanDerWaalsContact C-N 3.25Å; S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 PolarHBondContact OG-N 3.18Å; S54-F57 WeakPolarHBondContact CB-O 3.4Å; S54-F57 CarbonylContact O-C 3.6Å; S54-F57 PolarHBondContact OG-N 3.14Å; S54-P58 WeakPolarHBondContact O-CA 3.5Å
55	S	78.4	Confident	78.4	Confident	123 Å²	123	51 Å²	51	86%	0.86	28%	0.282	S	S	*	.	S	Bend	trans	-69.7	-24.4	176	53.1	0	0	0	0	112.8
56	L	76.8	Confident	78.5	Confident	123 Å²	123	53.5 Å²	53.5	64%	0.644	29%	0.292	S	S	*	.	S	Bend	trans	-87	-33.4	-179.7	-64.6	174.7	0	0	0	112.4	S54	S54-L56 VanDerWaalsContact C-N 3.25Å; S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 PolarHBondContact OG-N 3.18Å
57	F	81.4	Confident	78.4	Confident	69 Å²	69	59.6 Å²	59.6	30%	0.303	31%	0.314	S	S	.	.			trans	-138	81.4	-177.9	-53.2	-73.5	0	0	0	109.4	I52 S54 L59 L78 L79	I52-F57 HydrophobicContact CD1-CB 4.38Å; I52-F57 WeakPolarHBondContact CD1-O 3.08Å; I52-F57 WeakPolarHBondContact CG1-O 3.17Å; S54-F57 WeakPolarHBondContact CB-O 3.4Å; S54-F57 CarbonylContact O-C 3.6Å; S54-F57 PolarHBondContact OG-N 3.14Å; F57-L59 PolarHBondContact O-N 3.03Å; F57-L59 VanDerWaalsContact O-N 3.16Å; F57-L78 HydrophobicContact CB-CB 3.78Å; F57-L78 HydrophobicContact CD1-CB 3.97Å; F57-L78 HydrophobicContact CD2-CB 4.3Å; F57-L78 HydrophobicContact CD2-CD1 4.29Å; F57-L78 HydrophobicContact CG-CB 3.75Å; F57-L79 CarbonylContact C-O 3.52Å; F57-L79 WeakPolarHBondContact CA-O 3.39Å
58	P	78.6	Confident	78.5	Confident	51 Å²	51	61.9 Å²	61.9	33%	0.331	34%	0.344	S	S	.	.			trans	-70.3	-8	-177.7	24.8	-31.3	0	0	0	113.5	V50 S54 L79 P80	V50-P58 CarbonylContact C-O 3.59Å; S54-P58 WeakPolarHBondContact O-CA 3.5Å; P58-L79 WeakPolarHBondContact CD-O 3.14Å; P58-P80 WeakPolarHBondContact CD-O 3.35Å; P58-P80 WeakPolarHBondContact CG-O 3.44Å
59	L	80.6	Confident	78.9	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.9	-169.4	-55.4	167.6	0	0	0	111.2	V48 T49 V50 F57 L79 D81 K82	V48-L59 HydrophobicContact CG1-CB 4.3Å; V48-L59 HydrophobicContact CG1-CD2 4.29Å; T49-L59 CarbonylContact O-C 3.55Å; T49-L59 WeakPolarHBondContact O-CA 3.3Å; V50-L59 HydrophobicContact CB-CD2 3.82Å; V50-L59 HydrophobicContact CG1-CD2 3.42Å; V50-L59 VanDerWaalsContact CG1-CD2 3.42Å; V50-L59 HydrophobicContact CG2-CD2 3.71Å; F57-L59 PolarHBondContact O-N 3.03Å; F57-L59 VanDerWaalsContact O-N 3.16Å; L59-L79 HydrophobicContact CB-CB 3.91Å; L59-L79 HydrophobicContact CD1-CB 4.21Å; L59-L79 PolarHBondContact N-O 3.02Å; L59-L79 PolarHBondContact O-N 3.46Å; L59-D81 WeakPolarHBondContact CD1-O 3.47Å; L59-K82 HydrophobicContact CD1-CB 4.44Å; L59-K82 HydrophobicContact CD1-CG 3.48Å; L59-K82 VanDerWaalsContact CD1-CG 3.48Å; L59-K82 HydrophobicContact CD2-CG 4.23Å
60	V	82.6	Confident	79.5	Confident	20 Å²	20	68.2 Å²	68.2	12%	0.121	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.8	169.7	-175.9	0	0	0	0	109.1	V48 T49 I52 V62 V76 A77 L78	V48-V60 CarbonylContact C-O 3.59Å; V48-V60 WeakPolarHBondContact CA-O 3.37Å; T49-V60 PolarHBondContact N-O 3.45Å; T49-V60 PolarHBondContact O-N 3.47Å; I52-V60 HydrophobicContact CB-CG2 4.19Å; I52-V60 HydrophobicContact CD1-CG2 3.53Å; I52-V60 HydrophobicContact CG1-CG2 3.93Å; I52-V60 HydrophobicContact CG2-CG2 3.29Å; V60-V62 HydrophobicContact CG1-CG2 3.81Å; V60-V76 HydrophobicContact CG1-CG1 3.56Å; V60-A77 CarbonylContact C-O 3.53Å; V60-A77 WeakPolarHBondContact CA-O 3.47Å; V60-L78 HydrophobicContact CG2-CD2 3.89Å
61	F	84.1	Confident	80.5	Confident	7 Å²	7	68 Å²	68	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.1	166.1	174.1	-86.9	0	0	0	109.4	A46 N47 V48 L63 L75 V76 A77 L79 Y87 T90 F91	A46-F61 HydrophobicContact CB-CE2 3.8Å; A46-F61 HydrophobicContact CB-CZ 3.7Å; N47-F61 CarbonylContact O-C 3.56Å; N47-F61 WeakPolarHBondContact O-CA 3.5Å; V48-F61 HydrophobicContact CG2-CB 4.27Å; V48-F61 HydrophobicContact CG2-CD2 3.7Å; V48-F61 HydrophobicContact CG2-CG 4.48Å; F61-L63 HydrophobicContact CE1-CB 4.05Å; F61-L75 HydrophobicContact CD1-CD2 4.21Å; F61-L75 HydrophobicContact CE1-CD2 4.2Å; F61-V76 CarbonylContact O-C 3.37Å; F61-V76 WeakPolarHBondContact O-CA 3.23Å; F61-A77 HydrophobicContact CB-CB 4.18Å; F61-A77 HydrophobicContact CD1-CB 4.23Å; F61-A77 PolarHBondContact N-O 3.25Å; F61-A77 PolarHBondContact O-N 3.42Å; F61-L79 HydrophobicContact CB-CD1 3.75Å; F61-L79 HydrophobicContact CB-CD2 4.32Å; F61-L79 HydrophobicContact CB-CG 4.02Å; F61-Y87 HydrophobicContact CD2-CE1 4.37Å; F61-T90 HydrophobicContact CD1-CG2 3.83Å; F61-T90 HydrophobicContact CE1-CG2 4.13Å; F61-T90 HydrophobicContact CG-CG2 4.25Å; F61-F91 AromaticContact CE2-CE1 3.93Å; F61-F91 HydrophobicContact CE2-CE1 3.93Å; F61-F91 HydrophobicContact CZ-CD1 4.49Å; F61-F91 AromaticContact CZ-CE1 3.78Å; F61-F91 HydrophobicContact CZ-CE1 3.78Å
62	V	84.8	Confident	81.4	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.055	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	176.2	-172.8	0	0	0	0	108.3	A46 N47 V60 M64 P73 L75 V76	A46-V62 WeakPolarHBondContact CA-O 3.34Å; N47-V62 PolarHBondContact N-O 2.87Å; N47-V62 PolarHBondContact O-N 3.27Å; V60-V62 HydrophobicContact CG1-CG2 3.81Å; V62-M64 HydrophobicContact CG1-CG 3.76Å; V62-M64 HydrophobicContact CG1-SD 4.47Å; V62-P73 HydrophobicContact CG1-CB 3.99Å; V62-P73 HydrophobicContact CG1-CG 4.4Å; V62-L75 WeakPolarHBondContact CA-O 3.49Å; V62-V76 HydrophobicContact CG1-CG2 4.29Å; V62-V76 HydrophobicContact CG2-CG2 4.42Å
63	L	86.8	Confident	82.2	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.8	165.8	-170.5	65.8	0	0	0	108.1	L44 A46 F61 V74 L75 L101	L44-L63 HydrophobicContact CB-CD1 4.11Å; L44-L63 HydrophobicContact CD1-CD1 4.06Å; L44-L63 HydrophobicContact CD1-CD2 4.34Å; L44-L63 HydrophobicContact CD1-CG 4.48Å; A46-L63 HydrophobicContact CB-CD1 3.96Å; F61-L63 HydrophobicContact CE1-CB 4.05Å; L63-V74 HydrophobicContact CB-CG2 4.16Å; L63-V74 HydrophobicContact CD2-CG2 4.07Å; L63-V74 HydrophobicContact CG-CG2 3.91Å; L63-V74 VanDerWaalsContact O-CG2 3.29Å; L63-V74 WeakPolarHBondContact O-CG2 3.47Å; L63-V74 PolarHBondContact O-N 2.77Å; L63-L75 HydrophobicContact CB-CB 4.07Å; L63-L75 PolarHBondContact N-O 2.99Å; L63-L75 PolarHBondContact O-N 3.33Å; L63-L101 HydrophobicContact CD2-CD2 4.3Å
64	M	87.4	Confident	82.7	Confident	27 Å²	27	54.5 Å²	54.5	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.7	177.2	-57.3	179	-72.7	0	0	109.4	L44 V45 V62 F71 I72 P73	L44-M64 CarbonylContact C-O 3.54Å; L44-M64 VanDerWaalsContact CA-O 3.25Å; L44-M64 WeakPolarHBondContact CA-O 3.39Å; V45-M64 HydrophobicContact CB-CE 3.98Å; V45-M64 HydrophobicContact CG1-CE 3.64Å; V45-M64 PolarHBondContact N-O 2.93Å; V45-M64 PolarHBondContact O-N 3.33Å; V62-M64 HydrophobicContact CG1-CG 3.76Å; V62-M64 HydrophobicContact CG1-SD 4.47Å; M64-F71 HydrophobicContact CB-CB 4.16Å; M64-F71 HydrophobicContact CB-CD1 4.39Å; M64-F71 HydrophobicContact SD-CB 4.32Å; M64-I72 CarbonylContact C-O 3.51Å; M64-I72 WeakPolarHBondContact CA-O 3.43Å; M64-P73 HydrophobicContact CG-CB 4.49Å; M64-P73 HydrophobicContact CG-CG 4.28Å
65	A	89.3	Confident	83.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.3	171.6	0	0	0	0	0	110.3	W37 M41 L44 F71 I72 V74	W37-A65 HydrophobicContact CH2-CB 4.16Å; W37-A65 HydrophobicContact CZ3-CB 4.23Å; M41-A65 HydrophobicContact CB-CB 3.78Å; M41-A65 HydrophobicContact CG-CB 3.58Å; M41-A65 HydrophobicContact SD-CB 3.9Å; L44-A65 HydrophobicContact CD2-CB 3.75Å; A65-F71 WeakPolarHBondContact O-CA 3.43Å; A65-I72 PolarHBondContact N-O 2.74Å; A65-I72 PolarHBondContact O-N 2.72Å; A65-V74 HydrophobicContact CB-CG1 3.7Å; A65-V74 HydrophobicContact CB-CG2 4.38Å
66	E	85.4	Confident	83.5	Confident	71 Å²	71	48.7 Å²	48.7	33%	0.332	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.6	169.9	-166.4	-177.3	179.7	0	0	110.1	N43 F70 F71	N43-E66 HydrophobicContact CB-CB 3.88Å; N43-E66 WeakPolarHBondContact CB-OE2 3.4Å; N43-E66 PolarHBondContact ND2-OE2 2.65Å; N43-E66 PolarHBondContact O-N 2.99Å; E66-F70 CarbonylContact C-O 3.51Å; E66-F70 WeakPolarHBondContact CA-O 3.47Å; E66-F71 HydrophobicContact CB-CD1 4.14Å; E66-F71 HydrophobicContact CB-CE1 3.7Å; E66-F71 HydrophobicContact CB-CZ 4.18Å; E66-F71 HydrophobicContact CG-CE1 4.21Å; E66-F71 HydrophobicContact CG-CZ 4.21Å
67	R	82.7	Confident	83.9	Confident	133 Å²	133	42.9 Å²	42.9	50%	0.502	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	121.4	172	-171.6	171.3	179.4	167.9	-0	110.1	G69 F70 I72	R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.88Å; R67-F70 PolarHBondContact N-O 2.91Å; R67-F70 PolarHBondContact O-N 2.82Å; R67-F70 VanDerWaalsContact O-N 3.09Å; R67-I72 HydrophobicContact CB-CD1 3.95Å
68	G	83.6	Confident	84	Confident	75 Å²	75	41.6 Å²	41.6	77%	0.773	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	34	176.5	0	0	0	0	0	114.2	F70	G68-F70 VanDerWaalsContact C-N 3.32Å; G68-F70 VanDerWaalsContact O-CD2 3.23Å; G68-F70 WeakPolarHBondContact O-CD2 3.29Å
69	G	80.9	Confident	84.2	Confident	61 Å²	61	39.3 Å²	39.3	63%	0.629	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	5.9	-177.6	0	0	0	0	0	115.1	R67	R67-G69 VanDerWaalsContact C-N 3.27Å; R67-G69 PolarHBondContact O-N 2.88Å
70	F	80.7	Confident	84.4	Confident	151 Å²	151	41.9 Å²	41.9	66%	0.662	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.6	175.4	-61.1	-85.7	0	0	0	111	E66 R67 G68	E66-F70 CarbonylContact C-O 3.51Å; E66-F70 WeakPolarHBondContact CA-O 3.47Å; R67-F70 PolarHBondContact N-O 2.91Å; R67-F70 PolarHBondContact O-N 2.82Å; R67-F70 VanDerWaalsContact O-N 3.09Å; G68-F70 VanDerWaalsContact C-N 3.32Å; G68-F70 VanDerWaalsContact O-CD2 3.23Å; G68-F70 WeakPolarHBondContact O-CD2 3.29Å
71	F	82.2	Confident	84.4	Confident	77 Å²	77	43.6 Å²	43.6	34%	0.338	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.8	167.1	-74.7	-79.3	0	0	0	109.8	V45 M64 A65 E66	V45-F71 HydrophobicContact CB-CD1 4.29Å; V45-F71 HydrophobicContact CB-CE1 4.3Å; V45-F71 HydrophobicContact CG2-CD1 3.76Å; V45-F71 HydrophobicContact CG2-CE1 3.33Å; V45-F71 HydrophobicContact CG2-CZ 3.85Å; M64-F71 HydrophobicContact CB-CB 4.16Å; M64-F71 HydrophobicContact CB-CD1 4.39Å; M64-F71 HydrophobicContact SD-CB 4.32Å; A65-F71 WeakPolarHBondContact O-CA 3.43Å; E66-F71 HydrophobicContact CB-CD1 4.14Å; E66-F71 HydrophobicContact CB-CE1 3.7Å; E66-F71 HydrophobicContact CB-CZ 4.18Å; E66-F71 HydrophobicContact CG-CE1 4.21Å; E66-F71 HydrophobicContact CG-CZ 4.21Å
72	I	83.6	Confident	84.4	Confident	63 Å²	63	47.7 Å²	47.7	32%	0.323	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.7	-176.6	-54	175.8	0	0	0	108.2	M64 A65 R67 V74	M64-I72 CarbonylContact C-O 3.51Å; M64-I72 WeakPolarHBondContact CA-O 3.43Å; A65-I72 PolarHBondContact N-O 2.74Å; A65-I72 PolarHBondContact O-N 2.72Å; R67-I72 HydrophobicContact CB-CD1 3.95Å; I72-V74 PolarHBondContact O-N 3.3Å
73	P	85.9	Confident	84.5	Confident	20 Å²	20	53 Å²	53	13%	0.13	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	121.7	171.9	-25.1	36.6	0	0	0	111	F14 V62 M64	F14-P73 HydrophobicContact CE2-CB 3.93Å; F14-P73 HydrophobicContact CE2-CG 3.9Å; F14-P73 HydrophobicContact CZ-CB 4.22Å; F14-P73 HydrophobicContact CZ-CG 4.48Å; V62-P73 HydrophobicContact CG1-CB 3.99Å; V62-P73 HydrophobicContact CG1-CG 4.4Å; M64-P73 HydrophobicContact CG-CB 4.49Å; M64-P73 HydrophobicContact CG-CG 4.28Å
74	V	85.8	Confident	84.4	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.03	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-26.1	179.3	-66.2	0	0	0	0	112.3	N34 W37 M41 L63 A65 I72	N34-V74 VanDerWaalsContact ND2-CA 3.34Å; N34-V74 WeakPolarHBondContact ND2-CA 3Å; N34-V74 PolarHBondContact ND2-O 3.31Å; W37-V74 HydrophobicContact CH2-CG1 3.82Å; W37-V74 HydrophobicContact CZ2-CG1 3.99Å; M41-V74 HydrophobicContact CE-CB 4.22Å; M41-V74 HydrophobicContact CE-CG1 3.68Å; M41-V74 HydrophobicContact SD-CB 4.29Å; M41-V74 HydrophobicContact SD-CG1 3.91Å; M41-V74 HydrophobicContact SD-CG2 4.28Å; L63-V74 HydrophobicContact CB-CG2 4.16Å; L63-V74 HydrophobicContact CD2-CG2 4.07Å; L63-V74 HydrophobicContact CG-CG2 3.91Å; L63-V74 VanDerWaalsContact O-CG2 3.29Å; L63-V74 WeakPolarHBondContact O-CG2 3.47Å; L63-V74 PolarHBondContact O-N 2.77Å; A65-V74 HydrophobicContact CB-CG1 3.7Å; A65-V74 HydrophobicContact CB-CG2 4.38Å; I72-V74 PolarHBondContact O-N 3.3Å
75	L	86.3	Confident	84.2	Confident	3 Å²	3	56 Å²	56	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.1	176.6	179.2	155.7	0	0	0	110	I28 F29 F61 V62 L63 A77 A94 M97	I28-L75 HydrophobicContact CG2-CD1 3.72Å; I28-L75 HydrophobicContact CG2-CD2 3.68Å; I28-L75 HydrophobicContact CG2-CG 3.58Å; F29-L75 CarbonylContact O-C 3.59Å; F29-L75 WeakPolarHBondContact O-CA 3.31Å; F61-L75 HydrophobicContact CD1-CD2 4.21Å; F61-L75 HydrophobicContact CE1-CD2 4.2Å; V62-L75 WeakPolarHBondContact CA-O 3.49Å; L63-L75 HydrophobicContact CB-CB 4.07Å; L63-L75 PolarHBondContact N-O 2.99Å; L63-L75 PolarHBondContact O-N 3.33Å; L75-A77 HydrophobicContact CD2-CB 4.3Å; L75-A94 HydrophobicContact CD1-CB 3.6Å; L75-M97 HydrophobicContact CD1-SD 4.02Å
76	V	84.5	Confident	84	Confident	40 Å²	40	56.2 Å²	56.2	24%	0.242	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	175.4	179.9	0	0	0	0	108.1	I28 F29 V60 F61 V62	I28-V76 CarbonylContact C-O 3.5Å; I28-V76 WeakPolarHBondContact CA-O 3.43Å; F29-V76 PolarHBondContact N-O 3.24Å; F29-V76 PolarHBondContact O-N 2.88Å; V60-V76 HydrophobicContact CG1-CG1 3.56Å; F61-V76 CarbonylContact O-C 3.37Å; F61-V76 WeakPolarHBondContact O-CA 3.23Å; V62-V76 HydrophobicContact CG1-CG2 4.29Å; V62-V76 HydrophobicContact CG2-CG2 4.42Å
77	A	83.9	Confident	83.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.4	177.9	0	0	0	0	0	111	G27 I28 V60 F61 L75 L79 T90	G27-A77 CarbonylContact O-C 3.55Å; G27-A77 WeakPolarHBondContact O-CA 3.21Å; I28-A77 HydrophobicContact CB-CB 4.36Å; I28-A77 HydrophobicContact CD1-CB 4.24Å; I28-A77 HydrophobicContact CG1-CB 3.73Å; I28-A77 HydrophobicContact CG2-CB 4.32Å; V60-A77 CarbonylContact C-O 3.53Å; V60-A77 WeakPolarHBondContact CA-O 3.47Å; F61-A77 HydrophobicContact CB-CB 4.18Å; F61-A77 HydrophobicContact CD1-CB 4.23Å; F61-A77 PolarHBondContact N-O 3.25Å; F61-A77 PolarHBondContact O-N 3.42Å; L75-A77 HydrophobicContact CD2-CB 4.3Å; A77-L79 HydrophobicContact CB-CD2 3.94Å; A77-T90 HydrophobicContact CB-CG2 3.75Å
78	L	84.9	Confident	83.9	Confident	43 Å²	43	48.5 Å²	48.5	23%	0.225	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.6	172.4	-61.7	-178.1	0	0	0	108.7	G27 F29 I52 F57 V60	G27-L78 PolarHBondContact O-N 3.4Å; F29-L78 HydrophobicContact CE2-CD1 3.8Å; F29-L78 HydrophobicContact CE2-CG 3.86Å; F29-L78 HydrophobicContact CZ-CD1 4.21Å; I52-L78 HydrophobicContact CD1-CD2 3.64Å; F57-L78 HydrophobicContact CB-CB 3.78Å; F57-L78 HydrophobicContact CD1-CB 3.97Å; F57-L78 HydrophobicContact CD2-CB 4.3Å; F57-L78 HydrophobicContact CD2-CD1 4.29Å; F57-L78 HydrophobicContact CG-CB 3.75Å; V60-L78 HydrophobicContact CG2-CD2 3.89Å
79	L	82.9	Confident	83.9	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.9	-176	-45	-177.4	0	0	0	111.2	F57 P58 L59 F61 A77 T86 Y87 T90	F57-L79 CarbonylContact C-O 3.52Å; F57-L79 WeakPolarHBondContact CA-O 3.39Å; P58-L79 WeakPolarHBondContact CD-O 3.14Å; L59-L79 HydrophobicContact CB-CB 3.91Å; L59-L79 HydrophobicContact CD1-CB 4.21Å; L59-L79 PolarHBondContact N-O 3.02Å; L59-L79 PolarHBondContact O-N 3.46Å; F61-L79 HydrophobicContact CB-CD1 3.75Å; F61-L79 HydrophobicContact CB-CD2 4.32Å; F61-L79 HydrophobicContact CB-CG 4.02Å; A77-L79 HydrophobicContact CB-CD2 3.94Å; L79-T86 HydrophobicContact CB-CG2 3.85Å; L79-T86 HydrophobicContact CD1-CG2 4.34Å; L79-T86 HydrophobicContact CD2-CG2 4.02Å; L79-T86 HydrophobicContact CG-CG2 4.3Å; L79-Y87 HydrophobicContact CD1-CD1 4.35Å; L79-Y87 HydrophobicContact CD1-CE1 3.89Å; L79-T90 HydrophobicContact CD2-CG2 4.26Å; L79-T90 WeakPolarHBondContact CD2-OG1 3.48Å
80	P	83.1	Confident	83.9	Confident	60 Å²	60	47.6 Å²	47.6	39%	0.39	24%	0.237	S	C	.	.	S	Bend	trans	-73.4	-27.8	175.6	29.4	-35.9	0	0	0	112.8	P58 T86	P58-P80 WeakPolarHBondContact CD-O 3.35Å; P58-P80 WeakPolarHBondContact CG-O 3.44Å; P80-T86 HydrophobicContact CG-CG2 4.23Å
81	D	84.4	Confident	84.1	Confident	56 Å²	56	40.9 Å²	40.9	30%	0.299	21%	0.207	S	C	.	.			trans	-158.9	175.1	-175.2	59.1	44.3	0	0	0	111.7	L59 Q83 T86	L59-D81 WeakPolarHBondContact CD1-O 3.47Å; D81-Q83 VanDerWaalsContact C-N 3.33Å; D81-Q83 HydrophobicContact CB-CG 4.07Å; D81-Q83 VanDerWaalsContact CG-CG 3.44Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.42Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.25Å; D81-Q83 PolarHBondContact OD1-N 3.4Å; D81-T86 WeakPolarHBondContact OD1-CB 3.39Å; D81-T86 PolarHBondContact OD1-OG1 2.99Å
82	K	84.2	Confident	84.1	Confident	94 Å²	94	39.5 Å²	39.5	41%	0.409	21%	0.207	S	C	.	.	S	Bend	trans	-95.7	28	173.4	-60.9	-171.5	176.4	-172.3	0	112.3	L59 Y87 A113	L59-K82 HydrophobicContact CD1-CB 4.44Å; L59-K82 HydrophobicContact CD1-CG 3.48Å; L59-K82 VanDerWaalsContact CD1-CG 3.48Å; L59-K82 HydrophobicContact CD2-CG 4.23Å; K82-Y87 HydrophobicContact CB-CE2 4.37Å; K82-A113 WeakPolarHBondContact O-CB 3.44Å
83	Q	86.1	Confident	84.1	Confident	119 Å²	119	36.9 Å²	36.9	56%	0.556	20%	0.195	S	C	*	.			trans	-79.3	150.5	-178.8	-60.2	-70.4	9.5	0	0	111.2	D81 A85 T86 Y87	D81-Q83 VanDerWaalsContact C-N 3.33Å; D81-Q83 HydrophobicContact CB-CG 4.07Å; D81-Q83 VanDerWaalsContact CG-CG 3.44Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.42Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.25Å; D81-Q83 PolarHBondContact OD1-N 3.4Å; Q83-A85 VanDerWaalsContact C-N 3.25Å; Q83-A85 PolarHBondContact O-N 2.89Å; Q83-T86 WeakPolarHBondContact O-CA 3.48Å; Q83-T86 WeakPolarHBondContact O-CB 3.41Å; Q83-T86 PolarHBondContact O-N 2.96Å; Q83-Y87 WeakPolarHBondContact O-CD2 3.48Å; Q83-Y87 PolarHBondContact O-N 3.25Å
84	E	84.2	Confident	83.9	Confident	51 Å²	51	36.1 Å²	36.1	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-40.9	179.4	177.8	173	171.6	0	0	111.6	T86 Y87 H88 A113 N116 A117 H120	E84-T86 PolarHBondContact O-N 3.39Å; E84-Y87 PolarHBondContact O-N 3.38Å; E84-H88 PolarHBondContact O-CD2 2.8Å; E84-H88 PolarHBondContact O-N 3.48Å; E84-H88 IonicContact OE1-NE2 3.56Å; E84-A113 HydrophobicContact CB-CB 4.21Å; E84-N116 HydrophobicContact CG-CB 3.98Å; E84-N116 VanDerWaalsContact OE1-CB 3.31Å; E84-N116 WeakPolarHBondContact OE1-CB 3.46Å; E84-N116 WeakPolarHBondContact OE2-CB 2.91Å; E84-N116 PolarHBondContact OE2-ND2 3.13Å; E84-N116 VanDerWaalsContact OE2-ND2 3.16Å; E84-A117 HydrophobicContact CG-CB 3.99Å; E84-H120 IonicContact OE1-CE1 3.17Å; E84-H120 PolarHBondContact OE1-CE1 2.88Å; E84-H120 IonicContact OE1-ND1 2.95Å; E84-H120 PolarHBondContact OE1-ND1 2.79Å
85	A	84.4	Confident	83.7	Confident	53 Å²	53	38 Å²	38	44%	0.438	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-32.7	176.5	0	0	0	0	0	112.8	Q83 H88 R89	Q83-A85 VanDerWaalsContact C-N 3.25Å; Q83-A85 PolarHBondContact O-N 2.89Å; A85-H88 WeakPolarHBondContact O-CB 3.31Å; A85-R89 WeakPolarHBondContact O-CG 3.15Å; A85-R89 PolarHBondContact O-N 2.69Å; A85-R89 VanDerWaalsContact O-N 3.14Å; A85-R89 PolarHBondContact O-NE 2.8Å
86	T	83.8	Confident	83.5	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-70.9	-48.9	177.7	-66.4	0	0	0	0	110.7	L79 P80 D81 Q83 E84 H88 R89 T90	L79-T86 HydrophobicContact CB-CG2 3.85Å; L79-T86 HydrophobicContact CD1-CG2 4.34Å; L79-T86 HydrophobicContact CD2-CG2 4.02Å; L79-T86 HydrophobicContact CG-CG2 4.3Å; P80-T86 HydrophobicContact CG-CG2 4.23Å; D81-T86 WeakPolarHBondContact OD1-CB 3.39Å; D81-T86 PolarHBondContact OD1-OG1 2.99Å; Q83-T86 WeakPolarHBondContact O-CA 3.48Å; Q83-T86 WeakPolarHBondContact O-CB 3.41Å; Q83-T86 PolarHBondContact O-N 2.96Å; E84-T86 PolarHBondContact O-N 3.39Å; T86-H88 VanDerWaalsContact C-N 3.27Å; T86-H88 PolarHBondContact O-N 3.34Å; T86-R89 PolarHBondContact O-N 3.34Å; T86-R89 PolarHBondContact OG1-NH2 2.84Å; T86-T90 PolarHBondContact O-N 3.16Å; T86-T90 PolarHBondContact O-OG1 3.37Å
87	Y	83	Confident	83.3	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-37.9	173	-70.7	-68.3	0	0	0	112.7	V48 F61 L79 K82 Q83 E84 R89 T90 F91 A113 A114 A117	V48-Y87 HydrophobicContact CG2-CE1 3.8Å; F61-Y87 HydrophobicContact CD2-CE1 4.37Å; L79-Y87 HydrophobicContact CD1-CD1 4.35Å; L79-Y87 HydrophobicContact CD1-CE1 3.89Å; K82-Y87 HydrophobicContact CB-CE2 4.37Å; Q83-Y87 WeakPolarHBondContact O-CD2 3.48Å; Q83-Y87 PolarHBondContact O-N 3.25Å; E84-Y87 PolarHBondContact O-N 3.38Å; Y87-R89 PolarHBondContact O-N 3.32Å; Y87-T90 PolarHBondContact O-N 3Å; Y87-F91 HydrophobicContact CD1-CZ 4.3Å; Y87-F91 WeakPolarHBondContact O-CB 3.41Å; Y87-F91 VanDerWaalsContact O-CD2 3.3Å; Y87-F91 WeakPolarHBondContact O-CD2 3.47Å; Y87-F91 VanDerWaalsContact O-CG 3.23Å; Y87-F91 WeakPolarHBondContact O-CG 3.23Å; Y87-F91 PolarHBondContact O-N 3.1Å; Y87-A113 HydrophobicContact CD2-CB 4.1Å; Y87-A113 HydrophobicContact CE2-CB 4.13Å; Y87-A114 HydrophobicContact CD1-CB 3.96Å; Y87-A114 HydrophobicContact CD2-CB 3.94Å; Y87-A114 HydrophobicContact CE1-CB 3.95Å; Y87-A114 HydrophobicContact CE2-CB 3.91Å; Y87-A114 HydrophobicContact CG-CB 3.96Å; Y87-A117 VanDerWaalsContact CB-CB 3.47Å
88	H	83.5	Confident	83.3	Confident	41 Å²	41	45.9 Å²	45.9	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-49.7	174	-89.9	-52.3	0	0	0	112.9	E84 A85 T86 T90 F91 S92 A117 H120 H121	E84-H88 PolarHBondContact O-CD2 2.8Å; E84-H88 PolarHBondContact O-N 3.48Å; E84-H88 IonicContact OE1-NE2 3.56Å; A85-H88 WeakPolarHBondContact O-CB 3.31Å; T86-H88 VanDerWaalsContact C-N 3.27Å; T86-H88 PolarHBondContact O-N 3.34Å; H88-T90 VanDerWaalsContact C-N 3.34Å; H88-F91 PolarHBondContact O-N 3.08Å; H88-S92 WeakPolarHBondContact O-CB 3.46Å; H88-S92 PolarHBondContact O-N 3.43Å; H88-S92 PolarHBondContact O-OG 2.89Å; H88-A117 WeakPolarHBondContact CE1-CA 3.15Å; H88-A117 PolarHBondContact CE1-O 3.35Å; H88-A117 PolarHBondContact ND1-O 3.38Å; H88-A117 WeakPolarHBondContact NE2-CA 2.85Å; H88-H120 AromaticContact NE2-ND1 3.87Å; H88-H121 AromaticContact ND1-CD2 3.33Å; H88-H121 PolarHBondContact ND1-CD2 3.14Å; H88-H121 VanDerWaalsContact ND1-CD2 3.33Å; H88-H121 AromaticContact ND1-NE2 3.3Å; H88-H121 PolarHBondContact ND1-NE2 2.88Å; H88-H121 PolarHBondContact O-NE2 3.42Å
89	R	83	Confident	83.3	Confident	115 Å²	115	48.4 Å²	48.4	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-43.5	177.1	-72.6	-179.1	-70.5	-125.8	0.6	111.2	A85 T86 Y87 S92 A93	A85-R89 WeakPolarHBondContact O-CG 3.15Å; A85-R89 PolarHBondContact O-N 2.69Å; A85-R89 VanDerWaalsContact O-N 3.14Å; A85-R89 PolarHBondContact O-NE 2.8Å; T86-R89 PolarHBondContact O-N 3.34Å; T86-R89 PolarHBondContact OG1-NH2 2.84Å; Y87-R89 PolarHBondContact O-N 3.32Å; R89-S92 PolarHBondContact O-N 2.77Å; R89-A93 WeakPolarHBondContact O-CB 3.36Å; R89-A93 PolarHBondContact O-N 2.82Å
90	T	82.4	Confident	83.5	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-49.5	177.2	-54.4	0	0	0	0	111.9	I28 F61 A77 L79 T86 Y87 H88 A93 A94	I28-T90 HydrophobicContact CD1-CG2 4.21Å; F61-T90 HydrophobicContact CD1-CG2 3.83Å; F61-T90 HydrophobicContact CE1-CG2 4.13Å; F61-T90 HydrophobicContact CG-CG2 4.25Å; A77-T90 HydrophobicContact CB-CG2 3.75Å; L79-T90 HydrophobicContact CD2-CG2 4.26Å; L79-T90 WeakPolarHBondContact CD2-OG1 3.48Å; T86-T90 PolarHBondContact O-N 3.16Å; T86-T90 PolarHBondContact O-OG1 3.37Å; Y87-T90 PolarHBondContact O-N 3Å; H88-T90 VanDerWaalsContact C-N 3.34Å; T90-A93 PolarHBondContact O-N 3.22Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 3.28Å
91	F	84.3	Confident	83.6	Confident	10 Å²	10	51 Å²	51	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-38.6	179.5	-62	-27.5	0	0	0	112.6	F61 Y87 H88 A93 A94 K95 A117 H121	F61-F91 AromaticContact CE2-CE1 3.93Å; F61-F91 HydrophobicContact CE2-CE1 3.93Å; F61-F91 HydrophobicContact CZ-CD1 4.49Å; F61-F91 AromaticContact CZ-CE1 3.78Å; F61-F91 HydrophobicContact CZ-CE1 3.78Å; Y87-F91 HydrophobicContact CD1-CZ 4.3Å; Y87-F91 WeakPolarHBondContact O-CB 3.41Å; Y87-F91 VanDerWaalsContact O-CD2 3.3Å; Y87-F91 WeakPolarHBondContact O-CD2 3.47Å; Y87-F91 VanDerWaalsContact O-CG 3.23Å; Y87-F91 WeakPolarHBondContact O-CG 3.23Å; Y87-F91 PolarHBondContact O-N 3.1Å; H88-F91 PolarHBondContact O-N 3.08Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.38Å; F91-A94 PolarHBondContact O-N 2.99Å; F91-K95 WeakPolarHBondContact O-CG 3.36Å; F91-K95 PolarHBondContact O-N 3.45Å; F91-A117 HydrophobicContact CD2-CB 4.26Å; F91-A117 HydrophobicContact CE2-CB 4.05Å; F91-H121 AromaticContact CD2-CD2 3.89Å
92	S	82.6	Confident	83.6	Confident	48 Å²	48	51 Å²	51	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-45.4	174	-68.8	0	0	0	0	112	H88 R89 K95 K96 H121	H88-S92 WeakPolarHBondContact O-CB 3.46Å; H88-S92 PolarHBondContact O-N 3.43Å; H88-S92 PolarHBondContact O-OG 2.89Å; R89-S92 PolarHBondContact O-N 2.77Å; S92-K95 PolarHBondContact O-N 2.78Å; S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 2.95Å; S92-H121 PolarHBondContact OG-CE1 3.38Å
93	A	82	Confident	83.7	Confident	8 Å²	8	46.5 Å²	46.5	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-37.7	179.9	0	0	0	0	0	111.5	L23 I28 R89 T90 F91 K95 K96 M97	L23-A93 HydrophobicContact CD1-CB 4.07Å; I28-A93 HydrophobicContact CD1-CB 3.4Å; R89-A93 WeakPolarHBondContact O-CB 3.36Å; R89-A93 PolarHBondContact O-N 2.82Å; T90-A93 PolarHBondContact O-N 3.22Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.38Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.15Å; A93-K96 WeakPolarHBondContact O-CB 3.48Å; A93-K96 PolarHBondContact O-N 3.22Å; A93-K96 VanDerWaalsContact O-N 3.1Å; A93-M97 WeakPolarHBondContact O-CG 3.47Å; A93-M97 PolarHBondContact O-N 2.75Å
94	A	83	Confident	83.6	Confident	3 Å²	3	44.9 Å²	44.9	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-42.7	171.7	0	0	0	0	0	112.4	L75 T90 F91 K96 M97 L98 W125	L75-A94 HydrophobicContact CD1-CB 3.6Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 3.28Å; F91-A94 PolarHBondContact O-N 2.99Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 3.31Å; A94-M97 PolarHBondContact O-N 2.75Å; A94-L98 PolarHBondContact O-N 2.85Å; A94-W125 HydrophobicContact CB-CH2 4.44Å; A94-W125 HydrophobicContact CB-CZ2 3.97Å
95	K	82.4	Confident	83.4	Confident	45 Å²	45	42.9 Å²	42.9	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-38.7	174.4	-75.7	-172.8	178.4	-164.6	0	112.5	F91 S92 A93 L98 P99 G123 T124 W125	F91-K95 WeakPolarHBondContact O-CG 3.36Å; F91-K95 PolarHBondContact O-N 3.45Å; S92-K95 PolarHBondContact O-N 2.78Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.15Å; K95-L98 CarbonylContact O-C 3.46Å; K95-P99 WeakPolarHBondContact O-CA 3.49Å; K95-G123 PolarHBondContact NZ-O 3.39Å; K95-G123 VanDerWaalsContact NZ-O 3.11Å; K95-T124 WeakPolarHBondContact CE-O 3.39Å; K95-T124 PolarHBondContact NZ-O 3.18Å; K95-W125 HydrophobicContact CB-CZ2 4.05Å; K95-W125 HydrophobicContact CG-CD2 4.11Å; K95-W125 HydrophobicContact CG-CH2 4.1Å; K95-W125 HydrophobicContact CG-CZ2 3.33Å
96	K	81.5	Confident	83.3	Confident	169 Å²	169	40.6 Å²	40.6	74%	0.735	21%	0.212	S	C	*	.	H	α-helix	trans	-69.2	-37.8	178.5	-70.3	178.4	179.6	-174	0	112	S92 A93 A94	S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 2.95Å; A93-K96 WeakPolarHBondContact O-CB 3.48Å; A93-K96 PolarHBondContact O-N 3.22Å; A93-K96 VanDerWaalsContact O-N 3.1Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 3.31Å
97	M	79.3	Confident	83	Confident	32 Å²	32	40.5 Å²	40.5	16%	0.158	21%	0.212	C	C	.	.	H	α-helix	trans	-74.9	-33	179.5	-66.2	-177.9	78.4	0	0	112.9	L23 I28 L75 A93 A94 P99	L23-M97 HydrophobicContact CD1-CG 3.4Å; L23-M97 VanDerWaalsContact CD1-CG 3.4Å; L23-M97 HydrophobicContact CD1-SD 3.72Å; L23-M97 HydrophobicContact CG-CG 4.3Å; L23-M97 HydrophobicContact CG-SD 4.4Å; I28-M97 HydrophobicContact CB-SD 4.43Å; I28-M97 HydrophobicContact CG2-SD 3.67Å; L75-M97 HydrophobicContact CD1-SD 4.02Å; A93-M97 WeakPolarHBondContact O-CG 3.47Å; A93-M97 PolarHBondContact O-N 2.75Å; A94-M97 PolarHBondContact O-N 2.75Å; M97-P99 VanDerWaalsContact C-CD 3.46Å; M97-P99 WeakPolarHBondContact O-CD 3.35Å
98	L	85.1	Confident	82.7	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.042	21%	0.213	C	C	.	.			trans	-126	69	-176	-58.1	174	0	0	0	109.4	N34 A94 K95 D100 L101	N34-L98 HydrophobicContact CB-CD2 4.11Å; A94-L98 PolarHBondContact O-N 2.85Å; K95-L98 CarbonylContact O-C 3.46Å; L98-D100 VanDerWaalsContact C-N 3.26Å; L98-D100 PolarHBondContact O-N 3.2Å; L98-L101 HydrophobicContact CB-CB 3.82Å; L98-L101 HydrophobicContact CB-CD2 4.15Å; L98-L101 HydrophobicContact CD1-CD2 3.79Å; L98-L101 WeakPolarHBondContact O-CB 2.92Å; L98-L101 PolarHBondContact O-N 2.77Å
99	P	83.9	Confident	82.1	Confident	96 Å²	96	41.7 Å²	41.7	62%	0.623	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.4	-173.6	26.3	-35	0	0	0	113.4	K95 M97	K95-P99 WeakPolarHBondContact O-CA 3.49Å; M97-P99 VanDerWaalsContact C-CD 3.46Å; M97-P99 WeakPolarHBondContact O-CD 3.35Å
100	D	88.4	Confident	81	Confident	107 Å²	107	43.2 Å²	43.2	57%	0.572	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.7	-177.9	-55.2	-43.4	0	0	0	113.4	N39 L98 A102	N39-D100 WeakPolarHBondContact CA-O 3.41Å; N39-D100 HydrophobicContact CB-CB 4.36Å; L98-D100 VanDerWaalsContact C-N 3.26Å; L98-D100 PolarHBondContact O-N 3.2Å; D100-A102 PolarHBondContact O-N 2.64Å
101	L	84.7	Confident	80.4	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	24%	0.237	C	C	.	.			trans	-71.4	116	179.8	164.8	67.8	0	0	0	110.3	S38 M41 L44 L63 L98 W125	S38-L101 VanDerWaalsContact O-CD1 3.29Å; S38-L101 WeakPolarHBondContact O-CD1 3.1Å; M41-L101 HydrophobicContact CB-CD1 3.53Å; M41-L101 HydrophobicContact CG-CD1 4.3Å; M41-L101 HydrophobicContact SD-CD1 4.02Å; L44-L101 HydrophobicContact CD1-CD1 4.07Å; L44-L101 HydrophobicContact CD1-CD2 3.87Å; L44-L101 HydrophobicContact CD1-CG 4.33Å; L44-L101 HydrophobicContact CD2-CD1 4.33Å; L63-L101 HydrophobicContact CD2-CD2 4.3Å; L98-L101 HydrophobicContact CB-CB 3.82Å; L98-L101 HydrophobicContact CB-CD2 4.15Å; L98-L101 HydrophobicContact CD1-CD2 3.79Å; L98-L101 WeakPolarHBondContact O-CB 2.92Å; L98-L101 PolarHBondContact O-N 2.77Å; L101-W125 HydrophobicContact CB-CE3 4.35Å; L101-W125 HydrophobicContact CB-CH2 4.33Å; L101-W125 HydrophobicContact CB-CZ3 3.51Å; L101-W125 HydrophobicContact CD2-CE3 4.01Å; L101-W125 HydrophobicContact CD2-CH2 3.53Å; L101-W125 HydrophobicContact CD2-CZ3 3.15Å; L101-W125 HydrophobicContact CG-CE3 3.83Å; L101-W125 HydrophobicContact CG-CH2 4.09Å; L101-W125 HydrophobicContact CG-CZ3 3.21Å
102	A	84.5	Confident	79.9	Confident	55 Å²	55	48.9 Å²	48.9	46%	0.455	26%	0.257	S	S	.	.			trans	-128.3	72.7	-176.8	0	0	0	0	0	110	D100	D100-A102 PolarHBondContact O-N 2.64Å
103	P	84.9	Confident	79.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.			trans	-71	142.8	-174.1	31.3	-35	0	0	0	111.1	E42 L44 V106 W125 S126	E42-P103 CarbonylContact O-C 3.48Å; E42-P103 WeakPolarHBondContact O-CA 3.45Å; L44-P103 HydrophobicContact CD1-CB 3.66Å; L44-P103 HydrophobicContact CD1-CG 3.79Å; L44-P103 HydrophobicContact CG-CB 3.81Å; L44-P103 HydrophobicContact CG-CG 4.49Å; P103-V106 HydrophobicContact CB-CG2 4.12Å; P103-V106 HydrophobicContact CG-CG2 3.86Å; P103-W125 HydrophobicContact CG-CE3 4.49Å; P103-S126 PolarHBondContact O-OG 2.96Å
104	Q	84	Confident	78.9	Confident	86 Å²	86	47.4 Å²	47.4	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	-83.6	-24.1	167.7	-63.7	-177.4	10.1	0	0	111.9	E42 S146	E42-Q104 HydrophobicContact CB-CB 4.43Å; E42-Q104 HydrophobicContact CB-CG 4.29Å; E42-Q104 HydrophobicContact CG-CG 4.47Å; E42-Q104 CarbonylContact O-C 3.56Å; E42-Q104 WeakPolarHBondContact O-CA 3.29Å; E42-Q104 PolarHBondContact O-N 2.84Å; Q104-S146 VanDerWaalsContact C-OG 3.31Å; Q104-S146 WeakPolarHBondContact CA-OG 3.5Å; Q104-S146 WeakPolarHBondContact CB-OG 3.32Å; Q104-S146 WeakPolarHBondContact O-CA 3.4Å; Q104-S146 WeakPolarHBondContact O-CB 3.36Å; Q104-S146 PolarHBondContact O-N 3.5Å; Q104-S146 PolarHBondContact O-OG 3.04Å
105	S	80.1	Confident	78.4	Confident	9 Å²	9	49 Å²	49	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.2	175.4	69.9	0	0	0	0	111.7	E42 N43 L44 C129 I144	E42-S105 PolarHBondContact O-N 2.92Å; N43-S105 VanDerWaalsContact CA-OG 3.29Å; N43-S105 WeakPolarHBondContact CA-OG 3.5Å; N43-S105 VanDerWaalsContact CB-OG 3.31Å; N43-S105 WeakPolarHBondContact CB-OG 3.36Å; N43-S105 VanDerWaalsContact CG-OG 3.25Å; N43-S105 PolarHBondContact OD1-OG 2.83Å; L44-S105 PolarHBondContact N-O 2.79Å; S105-C129 VanDerWaalsContact C-SG 3.55Å; S105-C129 WeakPolarHBondContact CA-SG 3.47Å; S105-I144 WeakPolarHBondContact CA-O 3.34Å; S105-I144 WeakPolarHBondContact CB-O 3.34Å
106	V	82.6	Confident	78.1	Confident	4 Å²	4	49 Å²	49	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111	170.7	-174.8	0	0	0	0	108.7	L44 A46 P103 M108 C129 I144	L44-V106 HydrophobicContact CB-CG1 4.4Å; L44-V106 HydrophobicContact CB-CG2 4.2Å; L44-V106 HydrophobicContact CD1-CG2 4.15Å; L44-V106 WeakPolarHBondContact O-CA 3.4Å; A46-V106 HydrophobicContact CB-CG1 4.4Å; P103-V106 HydrophobicContact CB-CG2 4.12Å; P103-V106 HydrophobicContact CG-CG2 3.86Å; V106-M108 HydrophobicContact CG1-CE 3.84Å; V106-C129 PolarHBondContact N-SG 3.23Å; V106-I144 WeakPolarHBondContact O-CB 3.41Å; V106-I144 VanDerWaalsContact O-CD1 3.23Å; V106-I144 WeakPolarHBondContact O-CD1 3.22Å; V106-I144 VanDerWaalsContact O-CG1 3.25Å; V106-I144 WeakPolarHBondContact O-CG1 3.37Å
107	S	78.7	Confident	77.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.9	176.2	-54.3	0	0	0	0	110	L44 V45 A46 I142 M143	L44-S107 PolarHBondContact O-N 2.86Å; V45-S107 CarbonylContact C-O 3.56Å; V45-S107 WeakPolarHBondContact CA-O 3.4Å; A46-S107 PolarHBondContact N-O 2.93Å; S107-I142 WeakPolarHBondContact CA-O 3.44Å; S107-I142 WeakPolarHBondContact CB-O 3.49Å; S107-M143 WeakPolarHBondContact OG-CA 3.29Å; S107-M143 PolarHBondContact OG-SD 3.32Å
108	M	76.4	Confident	77.2	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.7	179.8	66.4	178.8	67.1	0	0	112.7	A46 V106 M115 K118 I142	A46-M108 HydrophobicContact CB-CB 4.15Å; A46-M108 VanDerWaalsContact O-CA 3.31Å; A46-M108 WeakPolarHBondContact O-CA 3.1Å; A46-M108 WeakPolarHBondContact O-CB 3.29Å; V106-M108 HydrophobicContact CG1-CE 3.84Å; M108-M115 HydrophobicContact CG-SD 4.34Å; M108-M115 HydrophobicContact SD-SD 3.91Å; M108-K118 HydrophobicContact CE-CD 3.91Å; M108-K118 HydrophobicContact SD-CD 4.31Å; M108-I142 PolarHBondContact N-O 2.82Å
109	N	69.7	Low	76.4	Confident	60 Å²	60	47 Å²	47	32%	0.321	25%	0.247	S	C	.	.			trans	-63.6	149.3	173.8	-70	-7.7	0	0	0	110.7	N47 D111	N47-N109 PolarHBondContact OD1-ND2 2.73Å; N109-D111 VanDerWaalsContact C-N 3.26Å; N109-D111 PolarHBondContact O-N 3.05Å
110	F	60.9	Low	75.6	Confident	146 Å²	146	48.5 Å²	48.5	64%	0.64	25%	0.245	S	C	*	.			trans	-71	83.8	174	-166.3	-96.2	0	0	0	110.3	I142	F110-I142 HydrophobicContact CB-CD1 3.84Å; F110-I142 HydrophobicContact CD2-CD1 3.87Å; F110-I142 HydrophobicContact CG-CD1 4.34Å
111	D	69.8	Low	74.4	Confident	34 Å²	34	44.9 Å²	44.9	18%	0.182	23%	0.225	C	C	.	.			trans	-110.6	118.6	166.6	-175.7	-74.5	0	0	0	107.8	N109 A113 A114 M115	N109-D111 VanDerWaalsContact C-N 3.26Å; N109-D111 PolarHBondContact O-N 3.05Å; D111-A113 PolarHBondContact O-N 2.83Å; D111-A113 WeakPolarHBondContact OD1-CB 3.3Å; D111-A113 PolarHBondContact OD1-N 2.82Å; D111-A114 HydrophobicContact CB-CB 3.93Å; D111-A114 PolarHBondContact O-N 3.26Å; D111-A114 PolarHBondContact OD1-N 2.96Å; D111-M115 WeakPolarHBondContact O-CB 3.18Å; D111-M115 VanDerWaalsContact O-CG 3.31Å; D111-M115 WeakPolarHBondContact O-CG 3.14Å; D111-M115 PolarHBondContact O-N 3.28Å
112	Q	73.4	Confident	72.9	Confident	98 Å²	98	53.7 Å²	53.7	46%	0.458	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-35.5	-172.7	-173.3	61.9	62.1	0	0	111.9	M115 N116	Q112-M115 PolarHBondContact O-N 2.85Å; Q112-N116 PolarHBondContact NE2-OD1 3.23Å; Q112-N116 WeakPolarHBondContact O-CB 3.29Å; Q112-N116 PolarHBondContact O-N 2.84Å; Q112-N116 PolarHBondContact O-OD1 3.09Å
113	A	73.3	Confident	71.3	Confident	17 Å²	17	53.8 Å²	53.8	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-71	-41	178.5	0	0	0	0	0	111.2	K82 E84 Y87 D111 M115 N116 A117	K82-A113 WeakPolarHBondContact O-CB 3.44Å; E84-A113 HydrophobicContact CB-CB 4.21Å; Y87-A113 HydrophobicContact CD2-CB 4.1Å; Y87-A113 HydrophobicContact CE2-CB 4.13Å; D111-A113 PolarHBondContact O-N 2.83Å; D111-A113 WeakPolarHBondContact OD1-CB 3.3Å; D111-A113 PolarHBondContact OD1-N 2.82Å; A113-M115 VanDerWaalsContact C-N 3.34Å; A113-N116 PolarHBondContact O-N 2.83Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.21Å
114	A	69.9	Low	69.7	Low	7 Å²	7	59 Å²	59	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-41.7	172.3	0	0	0	0	0	111.9	Y87 D111 A117 K118	Y87-A114 HydrophobicContact CD1-CB 3.96Å; Y87-A114 HydrophobicContact CD2-CB 3.94Å; Y87-A114 HydrophobicContact CE1-CB 3.95Å; Y87-A114 HydrophobicContact CE2-CB 3.91Å; Y87-A114 HydrophobicContact CG-CB 3.96Å; D111-A114 HydrophobicContact CB-CB 3.93Å; D111-A114 PolarHBondContact O-N 3.26Å; D111-A114 PolarHBondContact OD1-N 2.96Å; A114-A117 PolarHBondContact O-N 3.09Å; A114-K118 WeakPolarHBondContact O-CB 3.31Å; A114-K118 PolarHBondContact O-N 3Å
115	M	72.5	Confident	68.2	Low	36 Å²	36	55.7 Å²	55.7	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-40.1	177.5	-71.6	-61.9	-65.8	0	0	112.5	M108 D111 Q112 A113 K119	M108-M115 HydrophobicContact CG-SD 4.34Å; M108-M115 HydrophobicContact SD-SD 3.91Å; D111-M115 WeakPolarHBondContact O-CB 3.18Å; D111-M115 VanDerWaalsContact O-CG 3.31Å; D111-M115 WeakPolarHBondContact O-CG 3.14Å; D111-M115 PolarHBondContact O-N 3.28Å; Q112-M115 PolarHBondContact O-N 2.85Å; A113-M115 VanDerWaalsContact C-N 3.34Å; M115-K119 WeakPolarHBondContact O-CG 3.42Å; M115-K119 PolarHBondContact O-N 2.83Å
116	N	76.3	Confident	66.7	Low	45 Å²	45	58.1 Å²	58.1	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-41.9	174.3	-67.9	-8.2	0	0	0	111.3	E84 Q112 A113 K118 K119 H120	E84-N116 HydrophobicContact CG-CB 3.98Å; E84-N116 VanDerWaalsContact OE1-CB 3.31Å; E84-N116 WeakPolarHBondContact OE1-CB 3.46Å; E84-N116 WeakPolarHBondContact OE2-CB 2.91Å; E84-N116 PolarHBondContact OE2-ND2 3.13Å; E84-N116 VanDerWaalsContact OE2-ND2 3.16Å; Q112-N116 PolarHBondContact NE2-OD1 3.23Å; Q112-N116 WeakPolarHBondContact O-CB 3.29Å; Q112-N116 PolarHBondContact O-N 2.84Å; Q112-N116 PolarHBondContact O-OD1 3.09Å; A113-N116 PolarHBondContact O-N 2.83Å; N116-K118 VanDerWaalsContact C-N 3.25Å; N116-K118 PolarHBondContact O-N 3.37Å; N116-K119 WeakPolarHBondContact O-CB 3.25Å; N116-K119 PolarHBondContact O-N 2.92Å; N116-H120 PolarHBondContact O-N 3.2Å; N116-H120 PolarHBondContact O-ND1 2.87Å; N116-H120 VanDerWaalsContact O-ND1 3.12Å
117	A	73.8	Confident	65	Low	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-37	177.8	0	0	0	0	0	112.3	E84 Y87 H88 F91 A113 A114 H121	E84-A117 HydrophobicContact CG-CB 3.99Å; Y87-A117 VanDerWaalsContact CB-CB 3.47Å; H88-A117 WeakPolarHBondContact CE1-CA 3.15Å; H88-A117 PolarHBondContact CE1-O 3.35Å; H88-A117 PolarHBondContact ND1-O 3.38Å; H88-A117 WeakPolarHBondContact NE2-CA 2.85Å; F91-A117 HydrophobicContact CD2-CB 4.26Å; F91-A117 HydrophobicContact CE2-CB 4.05Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.21Å; A114-A117 PolarHBondContact O-N 3.09Å; A117-H121 PolarHBondContact O-CD2 3.48Å
118	K	67.7	Low	63.6	Low	24 Å²	24	64.1 Å²	64.1	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-42.6	171.8	162.9	170	167.9	174	0	112	M108 A114 N116 H120 H121 L128 C129	M108-K118 HydrophobicContact CE-CD 3.91Å; M108-K118 HydrophobicContact SD-CD 4.31Å; A114-K118 WeakPolarHBondContact O-CB 3.31Å; A114-K118 PolarHBondContact O-N 3Å; N116-K118 VanDerWaalsContact C-N 3.25Å; N116-K118 PolarHBondContact O-N 3.37Å; K118-H120 PolarHBondContact O-N 2.93Å; K118-H121 PolarHBondContact O-N 3.22Å; K118-L128 HydrophobicContact CB-CD1 4.15Å; K118-L128 HydrophobicContact CD-CB 3.87Å; K118-L128 WeakPolarHBondContact CE-O 3.4Å; K118-L128 HydrophobicContact CG-CB 3.72Å; K118-L128 HydrophobicContact CG-CD1 3.92Å; K118-L128 HydrophobicContact CG-CG 4.33Å; K118-L128 PolarHBondContact NZ-O 3.12Å; K118-C129 WeakPolarHBondContact CE-O 3.21Å; K118-C129 PolarHBondContact NZ-O 3.32Å
119	K	68	Low	62.3	Low	143 Å²	143	63.8 Å²	63.8	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-66	-36.8	-177.2	-72.2	173.5	-177.2	177	0	114	M115 N116 H121	M115-K119 WeakPolarHBondContact O-CG 3.42Å; M115-K119 PolarHBondContact O-N 2.83Å; N116-K119 WeakPolarHBondContact O-CB 3.25Å; N116-K119 PolarHBondContact O-N 2.92Å; K119-H121 VanDerWaalsContact C-N 3.32Å
120	H	68.7	Low	60.9	Low	128 Å²	128	65 Å²	65	59%	0.593	34%	0.335	S	S	*	.	H	α-helix	trans	-83.3	-7.8	-179.5	-53.1	96	0	0	0	113.6	E84 H88 N116 K118 K122	E84-H120 IonicContact OE1-CE1 3.17Å; E84-H120 PolarHBondContact OE1-CE1 2.88Å; E84-H120 IonicContact OE1-ND1 2.95Å; E84-H120 PolarHBondContact OE1-ND1 2.79Å; H88-H120 AromaticContact NE2-ND1 3.87Å; N116-H120 PolarHBondContact O-N 3.2Å; N116-H120 PolarHBondContact O-ND1 2.87Å; N116-H120 VanDerWaalsContact O-ND1 3.12Å; K118-H120 PolarHBondContact O-N 2.93Å; H120-K122 VanDerWaalsContact C-N 3.3Å; H120-K122 PolarHBondContact O-N 2.85Å
121	H	62.6	Low	59.8	Low	32 Å²	32	62.7 Å²	62.7	15%	0.148	34%	0.343	C	S	.	.			trans	-78.6	74.9	175	-95.3	-54.7	0	0	0	112	H88 F91 S92 A117 K118 K119 L128	H88-H121 AromaticContact ND1-CD2 3.33Å; H88-H121 PolarHBondContact ND1-CD2 3.14Å; H88-H121 VanDerWaalsContact ND1-CD2 3.33Å; H88-H121 AromaticContact ND1-NE2 3.3Å; H88-H121 PolarHBondContact ND1-NE2 2.88Å; H88-H121 PolarHBondContact O-NE2 3.42Å; F91-H121 AromaticContact CD2-CD2 3.89Å; S92-H121 PolarHBondContact OG-CE1 3.38Å; A117-H121 PolarHBondContact O-CD2 3.48Å; K118-H121 PolarHBondContact O-N 3.22Å; K119-H121 VanDerWaalsContact C-N 3.32Å; H121-L128 HydrophobicContact CB-CD1 3.99Å
122	K	52.6	Low	58	Low	193 Å²	193	66.9 Å²	66.9	84%	0.839	37%	0.374	S	S	*	.			trans	-75.1	141.3	171.5	-65.1	-170.4	177.2	-174.3	0	111	H120	H120-K122 VanDerWaalsContact C-N 3.3Å; H120-K122 PolarHBondContact O-N 2.85Å
123	G	51.9	Low	56.2	Low	57 Å²	57	67.4 Å²	67.4	59%	0.588	39%	0.389	S	S	*	.	S	Bend	trans	99.3	70.2	173.3	0	0	0	0	0	114.4	K95	K95-G123 PolarHBondContact NZ-O 3.39Å; K95-G123 VanDerWaalsContact NZ-O 3.11Å
124	T	50.3	Low	54	Low	111 Å²	111	78.2 Å²	78.2	68%	0.681	43%	0.426	S	S	*	.			trans	64.1	129.4	171	54.1	0	0	0	0	120.1	K95	K95-T124 WeakPolarHBondContact CE-O 3.39Å; K95-T124 PolarHBondContact NZ-O 3.18Å
125	W	53.2	Low	51.9	Low	16 Å²	16	82.8 Å²	82.8	6%	0.061	46%	0.464	C	S	.	.	S	Bend	trans	-167.2	31.8	161.1	-92.4	129.3	0	0	0	103.7	A94 K95 L101 P103 E127 L128	A94-W125 HydrophobicContact CB-CH2 4.44Å; A94-W125 HydrophobicContact CB-CZ2 3.97Å; K95-W125 HydrophobicContact CB-CZ2 4.05Å; K95-W125 HydrophobicContact CG-CD2 4.11Å; K95-W125 HydrophobicContact CG-CH2 4.1Å; K95-W125 HydrophobicContact CG-CZ2 3.33Å; L101-W125 HydrophobicContact CB-CE3 4.35Å; L101-W125 HydrophobicContact CB-CH2 4.33Å; L101-W125 HydrophobicContact CB-CZ3 3.51Å; L101-W125 HydrophobicContact CD2-CE3 4.01Å; L101-W125 HydrophobicContact CD2-CH2 3.53Å; L101-W125 HydrophobicContact CD2-CZ3 3.15Å; L101-W125 HydrophobicContact CG-CE3 3.83Å; L101-W125 HydrophobicContact CG-CH2 4.09Å; L101-W125 HydrophobicContact CG-CZ3 3.21Å; P103-W125 HydrophobicContact CG-CE3 4.49Å; W125-E127 PolarHBondContact O-N 2.95Å; W125-L128 HydrophobicContact CB-CB 4.39Å; W125-L128 HydrophobicContact CB-CD2 4.22Å; W125-L128 HydrophobicContact CB-CG 3.76Å; W125-L128 HydrophobicContact CG-CD2 4Å; W125-L128 HydrophobicContact CG-CG 3.81Å; W125-L128 PolarHBondContact O-N 3.19Å
126	S	48.3	Very low	49.9	Very low	59 Å²	59	82.8 Å²	82.8	41%	0.413	47%	0.474	S	S	.	.	S	Bend	trans	34	37.1	-132.7	22.2	0	0	0	0	117.1	P103	P103-S126 PolarHBondContact O-OG 2.96Å
127	E	46.4	Very low	47.7	Very low	122 Å²	122	91.4 Å²	91.4	57%	0.57	51%	0.509	S	S	*	.	S	Bend	trans	83.1	28.3	178.9	-48.9	-178.7	161.4	0	0	114.3	W125 C129 N130	W125-E127 PolarHBondContact O-N 2.95Å; E127-C129 PolarHBondContact O-N 2.94Å; E127-N130 PolarHBondContact OE2-ND2 3.35Å
128	L	49.3	Very low	45.5	Very low	10 Å²	10	98.9 Å²	98.9	5%	0.052	54%	0.544	C	S	.	.	S	Bend	trans	55.4	15.8	177.6	-86.6	161.5	0	0	0	114.3	K118 H121 W125	K118-L128 HydrophobicContact CB-CD1 4.15Å; K118-L128 HydrophobicContact CD-CB 3.87Å; K118-L128 WeakPolarHBondContact CE-O 3.4Å; K118-L128 HydrophobicContact CG-CB 3.72Å; K118-L128 HydrophobicContact CG-CD1 3.92Å; K118-L128 HydrophobicContact CG-CG 4.33Å; K118-L128 PolarHBondContact NZ-O 3.12Å; H121-L128 HydrophobicContact CB-CD1 3.99Å; W125-L128 HydrophobicContact CB-CB 4.39Å; W125-L128 HydrophobicContact CB-CD2 4.22Å; W125-L128 HydrophobicContact CB-CG 3.76Å; W125-L128 HydrophobicContact CG-CD2 4Å; W125-L128 HydrophobicContact CG-CG 3.81Å; W125-L128 PolarHBondContact O-N 3.19Å
129	C	50.3	Low	43.7	Very low	1 Å²	1	105.7 Å²	105.7	1%	0.007	57%	0.57	C	S	.	*	S	Bend	trans	71.2	104.4	-179.3	-47.6	0	0	0	0	114.2	S105 V106 K118 E127 I144	S105-C129 VanDerWaalsContact C-SG 3.55Å; S105-C129 WeakPolarHBondContact CA-SG 3.47Å; V106-C129 PolarHBondContact N-SG 3.23Å; K118-C129 WeakPolarHBondContact CE-O 3.21Å; K118-C129 PolarHBondContact NZ-O 3.32Å; E127-C129 PolarHBondContact O-N 2.94Å; C129-I144 HydrophobicContact CB-CB 3.95Å; C129-I144 HydrophobicContact CB-CG2 3.46Å; C129-I144 VanDerWaalsContact CB-CG2 3.46Å; C129-I144 VanDerWaalsContact O-CG2 3.29Å; C129-I144 WeakPolarHBondContact O-CG2 3.29Å
130	N	39.3	Very low	41.6	Very low	87 Å²	87	101.8 Å²	101.8	47%	0.465	57%	0.57	S	S	.	*			trans	-73.1	153.2	-169.7	-77.5	-47.2	0	0	0	116.6	E127	E127-N130 PolarHBondContact OE2-ND2 3.35Å
131	A	38	Very low	39.7	Very low	97 Å²	97	99.5 Å²	99.5	80%	0.802	56%	0.562	S	S	*	*			trans	64.8	128.4	158.3	0	0	0	0	0	122.9
132	S	32.5	Very low	38.1	Very low	121 Å²	121	101.1 Å²	101.1	85%	0.846	57%	0.571	S	S	*	*			trans	-65.1	128.4	-176.7	-26.5	0	0	0	0	115.1
133	S	35.1	Very low	37	Very low	110 Å²	110	98.7 Å²	98.7	77%	0.769	56%	0.564	S	S	*	*			trans	-170.5	127.8	154.3	178.9	0	0	0	0	115.2
134	R	26.5	Very low	36	Very low	243 Å²	243	97 Å²	97	92%	0.917	54%	0.542	S	S	*	.			trans	7.7	99.3	152.2	-62.1	173.7	-172.7	174.2	3	119.4
135	A	26.5	Very low	35.1	Very low	104 Å²	104	96.3 Å²	96.3	86%	0.86	53%	0.534	S	S	*	.			trans	179.7	86.5	134.5	0	0	0	0	0	110.2
136	G	31.2	Very low	34.2	Very low	36 Å²	36	97.7 Å²	97.7	37%	0.371	55%	0.546	S	S	.	.			trans	-156.1	14.6	-179.8	0	0	0	0	0	115.1	E138 G140	G136-E138 PolarHBondContact O-N 3.29Å; G136-E138 VanDerWaalsContact O-N 3.15Å; G136-G140 PolarHBondContact O-N 2.8Å
137	K	29	Very low	33.5	Very low	226 Å²	226	99.7 Å²	99.7	98%	0.983	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-13.5	-178	-81.4	-171.1	175.7	-176.6	0	113.8
138	E	28.2	Very low	32.7	Very low	156 Å²	156	97.8 Å²	97.8	73%	0.729	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-16.7	-173.1	-134.9	174.6	174.1	0	0	114.3	G136	G136-E138 PolarHBondContact O-N 3.29Å; G136-E138 VanDerWaalsContact O-N 3.15Å
139	Y	28.9	Very low	31.9	Very low	167 Å²	167	106.1 Å²	106.1	66%	0.655	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	-3.1	-172.4	-61.3	-69.6	0	0	0	116.3	L141	Y139-L141 PolarHBondContact O-N 3.09Å
140	G	25.5	Very low	30.9	Very low	61 Å²	61	111.4 Å²	111.4	63%	0.629	65%	0.651	S	S	*	*	S	Bend	trans	64.6	19.3	175.4	0	0	0	0	0	115.5	G136	G136-G140 PolarHBondContact O-N 2.8Å
141	L	28.2	Very low	30.5	Very low	80 Å²	80	112.7 Å²	112.7	42%	0.419	66%	0.661	S	S	.	*			trans	-124.3	131.2	177.2	-80.3	155.8	0	0	0	109.3	Y139	Y139-L141 PolarHBondContact O-N 3.09Å
142	I	28.3	Very low	30.1	Very low	66 Å²	66	113.6 Å²	113.6	34%	0.338	65%	0.653	S	S	.	*	B	Isolated β-bridge	trans	-96.5	114.4	173.6	-60.6	174.3	0	0	0	107.4	S107 M108 F110 I144	S107-I142 WeakPolarHBondContact CA-O 3.44Å; S107-I142 WeakPolarHBondContact CB-O 3.49Å; M108-I142 PolarHBondContact N-O 2.82Å; F110-I142 HydrophobicContact CB-CD1 3.84Å; F110-I142 HydrophobicContact CD2-CD1 3.87Å; F110-I142 HydrophobicContact CG-CD1 4.34Å; I142-I144 HydrophobicContact CG2-CG1 4.01Å
143	M	29.5	Very low	30	Very low	142 Å²	142	113.1 Å²	113.1	70%	0.7	64%	0.642	S	S	*	*			trans	-86.4	137.9	169.5	-61.4	-70.4	-64.7	0	0	109.4	S107	S107-M143 WeakPolarHBondContact OG-CA 3.29Å; S107-M143 PolarHBondContact OG-SD 3.32Å
144	I	32.4	Very low	29.6	Very low	21 Å²	21	113.3 Å²	113.3	11%	0.108	63%	0.634	C	S	.	*			trans	-131.1	116.4	179.5	-45.8	-179.5	0	0	0	110.1	S105 V106 C129 I142	S105-I144 WeakPolarHBondContact CA-O 3.34Å; S105-I144 WeakPolarHBondContact CB-O 3.34Å; V106-I144 WeakPolarHBondContact O-CB 3.41Å; V106-I144 VanDerWaalsContact O-CD1 3.23Å; V106-I144 WeakPolarHBondContact O-CD1 3.22Å; V106-I144 VanDerWaalsContact O-CG1 3.25Å; V106-I144 WeakPolarHBondContact O-CG1 3.37Å; C129-I144 HydrophobicContact CB-CB 3.95Å; C129-I144 HydrophobicContact CB-CG2 3.46Å; C129-I144 VanDerWaalsContact CB-CG2 3.46Å; C129-I144 VanDerWaalsContact O-CG2 3.29Å; C129-I144 WeakPolarHBondContact O-CG2 3.29Å; I142-I144 HydrophobicContact CG2-CG1 4.01Å
145	D	30.7	Very low	29.8	Very low	97 Å²	97	104.7 Å²	104.7	52%	0.519	62%	0.615	S	S	.	*	B	Isolated β-bridge	trans	-91	138.8	176.4	-170.3	-22.3	0	0	0	110.9	T147	D145-T147 WeakPolarHBondContact OD1-CB 3.23Å; D145-T147 PolarHBondContact OD1-N 3.48Å; D145-T147 PolarHBondContact OD1-OG1 3.39Å; D145-T147 PolarHBondContact OD2-OG1 3.48Å
146	S	34.9	Very low	30.1	Very low	45 Å²	45	104.7 Å²	104.7	32%	0.315	60%	0.597	S	S	.	*	S	Bend	trans	-84.1	-6.3	177.6	61.6	0	0	0	0	114.6	Q104 A148	Q104-S146 VanDerWaalsContact C-OG 3.31Å; Q104-S146 WeakPolarHBondContact CA-OG 3.5Å; Q104-S146 WeakPolarHBondContact CB-OG 3.32Å; Q104-S146 WeakPolarHBondContact O-CA 3.4Å; Q104-S146 WeakPolarHBondContact O-CB 3.36Å; Q104-S146 PolarHBondContact O-N 3.5Å; Q104-S146 PolarHBondContact O-OG 3.04Å; S146-A148 VanDerWaalsContact C-N 3.31Å; S146-A148 PolarHBondContact O-N 3.13Å
147	T	33.3	Very low	30	Very low	101 Å²	101	110 Å²	110	62%	0.62	62%	0.615	S	S	*	*			trans	-87.3	6.3	-175.1	59.8	0	0	0	0	114.6	D145 S149	D145-T147 WeakPolarHBondContact OD1-CB 3.23Å; D145-T147 PolarHBondContact OD1-N 3.48Å; D145-T147 PolarHBondContact OD1-OG1 3.39Å; D145-T147 PolarHBondContact OD2-OG1 3.48Å; T147-S149 PolarHBondContact O-N 2.88Å
148	A	29.6	Very low	30.1	Very low	83 Å²	83	100.3 Å²	100.3	69%	0.686	58%	0.584	S	S	*	*			trans	-91.9	84.9	175.4	0	0	0	0	0	111.6	S146	S146-A148 VanDerWaalsContact C-N 3.31Å; S146-A148 PolarHBondContact O-N 3.13Å
149	S	31.5	Very low	30.2	Very low	185 Å²	185	95.3 Å²	95.3	100%	1.294	57%	0.571	S	S	*	*			trans	-102.5	0	156.8	59.6	0	0	0	0	110.3	T147	T147-S149 PolarHBondContact O-N 2.88Å

Retrieved 149 of 149 residues in 150.2 ms (Link to these results)

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