A0A3Q0KGK6_SCHMA Loading...

Putative lipopolysaccharide-induced transcription factor regulating tumor necrosis factor alpha

AlphaFold DB , UniProt , Accession A0A3Q0KGK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>A0A3Q0KGK6_SCHMA|A0A3Q0KGK6
MQNQSEKTLSKVEVPLITTNQPKAREEFKDRPTNVRCPSCGKNISTQLEYHNGLLTYAACIGIFLFGGACGCCLIPFCVKACKDVDHKCPSCHRYIGSYHRIGD
					

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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	36.2	Very low	44.9	Very low	243 Å²	243	154.5 Å²	154.5	100%	1.197	78%	0.781	S	S	*	*				0	91	0	-73.8	162.5	155.9	0	0	109.5
2	Q	43	Very low	45.7	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	77%	0.765	S	S	*	*			trans	-140.7	91.8	152	-68.5	174.2	-64.4	0	0	100.2
3	N	35.6	Very low	46.4	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	77%	0.772	S	S	*	*				32	64.4	58.5	-145.6	16	0	0	0	114.4
4	Q	45.9	Very low	46.9	Very low	165 Å²	165	150 Å²	150	77%	0.771	77%	0.769	S	S	*	*			trans	-126.1	87.5	144	-72.5	-176.2	-30	0	0	104.2
5	S	51.5	Low	47.2	Very low	68 Å²	68	147.2 Å²	147.2	48%	0.476	76%	0.764	S	S	.	*				61.1	100.6	99.7	69.2	0	0	0	0	108.4	K7	S5-K7 PolarHBondContact O-N 3.39Å
6	E	46.8	Very low	47.6	Very low	169 Å²	169	147.6 Å²	147.6	79%	0.79	77%	0.767	S	S	*	*				23.2	73.8	104.9	-64.9	-177.5	110.7	0	0	111.7	T8	E6-T8 PolarHBondContact O-N 2.84Å
7	K	43.1	Very low	48.2	Very low	207 Å²	207	147.5 Å²	147.5	90%	0.9	77%	0.766	S	S	*	*			trans	-72.1	63.4	142.7	-74.5	-172.4	179.8	-178.9	0	105.6	S5	S5-K7 PolarHBondContact O-N 3.39Å
8	T	46.9	Very low	48.8	Very low	88 Å²	88	146.8 Å²	146.8	54%	0.54	77%	0.769	S	S	.	*			trans	-50.4	144.1	155	-73.9	0	0	0	0	106.5	E6	E6-T8 PolarHBondContact O-N 2.84Å
9	L	52.1	Low	49.6	Very low	136 Å²	136	143.8 Å²	143.8	71%	0.712	76%	0.758	S	S	*	*			trans	68.2	82.7	169.3	-111.1	74	0	0	0	113.5	K11	L9-K11 PolarHBondContact O-N 2.71Å
10	S	51.3	Low	50	Low	107 Å²	107	144.4 Å²	144.4	75%	0.748	76%	0.761	S	S	*	*				-6.2	82.5	102.2	165.5	0	0	0	0	111.7
11	K	42.2	Very low	50.1	Low	182 Å²	182	143.6 Å²	143.6	79%	0.791	75%	0.753	S	S	*	*			trans	-85.6	131	164.9	-157.6	-179	-178.9	177.8	0	105.9	L9	L9-K11 PolarHBondContact O-N 2.71Å
12	V	54.5	Low	50.9	Low	98 Å²	98	137.5 Å²	137.5	59%	0.594	73%	0.732	S	S	*	*			trans	87.3	77	169.6	-152.5	0	0	0	0	113.3	V14	V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 HydrophobicContact CB-CG2 4.43Å; V12-V14 HydrophobicContact CG1-CB 4.32Å; V12-V14 HydrophobicContact CG1-CG2 3.42Å; V12-V14 VanDerWaalsContact CG1-CG2 3.42Å; V12-V14 PolarHBondContact O-N 2.8Å; V12-V14 VanDerWaalsContact O-N 3.08Å
13	E	54.5	Low	51.4	Low	183 Å²	183	134.6 Å²	134.6	86%	0.855	72%	0.717	S	S	*	*				-44	106.9	123.6	-89.9	164.7	121.7	0	0	106.6	P15	E13-P15 WeakPolarHBondContact O-CD 3.4Å
14	V	53.7	Low	52.3	Low	120 Å²	120	131.4 Å²	131.4	73%	0.727	71%	0.712	S	S	*	*			trans	-81.2	104.7	159.2	179.8	0	0	0	0	103.8	V12 L16	V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 HydrophobicContact CB-CG2 4.43Å; V12-V14 HydrophobicContact CG1-CB 4.32Å; V12-V14 HydrophobicContact CG1-CG2 3.42Å; V12-V14 VanDerWaalsContact CG1-CG2 3.42Å; V12-V14 PolarHBondContact O-N 2.8Å; V12-V14 VanDerWaalsContact O-N 3.08Å; V14-L16 PolarHBondContact O-N 3.08Å
15	P	50.6	Low	52.9	Low	108 Å²	108	134.9 Å²	134.9	70%	0.701	72%	0.718	S	S	*	*			trans	-63.3	133	171.3	28	-33	0	0	0	108.8	E13	E13-P15 WeakPolarHBondContact O-CD 3.4Å
16	L	54	Low	53.5	Low	153 Å²	153	134.4 Å²	134.4	80%	0.801	71%	0.708	S	S	*	*	S	Bend	trans	38.7	95.4	145.1	-170.1	77.4	0	0	0	117.1	V14	V14-L16 PolarHBondContact O-N 3.08Å
17	I	58	Low	54.6	Low	147 Å²	147	132.5 Å²	132.5	75%	0.754	70%	0.699	S	S	*	*				-177	121.4	113.1	37.8	-157.8	0	0	0	107.9	T19	I17-T19 VanDerWaalsContact C-N 3.34Å; I17-T19 PolarHBondContact O-N 2.73Å
18	T	58.9	Low	56.5	Low	135 Å²	135	124.8 Å²	124.8	83%	0.828	67%	0.666	S	S	*	*			trans	-50.6	94	172.4	-56.7	0	0	0	0	110.1
19	T	62.9	Low	58.4	Low	90 Å²	90	123.8 Å²	123.8	55%	0.552	65%	0.654	S	S	*	*			trans	-94.7	119.3	159.7	-175.5	0	0	0	0	106.2	I17 Q21	I17-T19 VanDerWaalsContact C-N 3.34Å; I17-T19 PolarHBondContact O-N 2.73Å; T19-Q21 HydrophobicContact CG2-CB 4.46Å; T19-Q21 HydrophobicContact CG2-CG 3.34Å; T19-Q21 PolarHBondContact O-N 2.7Å; T19-Q21 WeakPolarHBondContact OG1-CG 3.06Å; T19-Q21 PolarHBondContact OG1-NE2 2.89Å
20	N	57.7	Low	59.7	Low	154 Å²	154	120.4 Å²	120.4	82%	0.824	64%	0.636	S	S	*	*			trans	-62.7	56.7	164.1	-83.7	-73.2	0	0	0	108.7	P22	N20-P22 WeakPolarHBondContact O-CD 3.47Å
21	Q	52.9	Low	61.3	Low	128 Å²	128	122.7 Å²	122.7	60%	0.598	63%	0.629	S	S	*	*			trans	-66.5	123.6	167	-64.9	-66.9	-37	0	0	104.1	T19 K23	T19-Q21 HydrophobicContact CG2-CB 4.46Å; T19-Q21 HydrophobicContact CG2-CG 3.34Å; T19-Q21 PolarHBondContact O-N 2.7Å; T19-Q21 WeakPolarHBondContact OG1-CG 3.06Å; T19-Q21 PolarHBondContact OG1-NE2 2.89Å; Q21-K23 WeakPolarHBondContact O-CA 3.47Å; Q21-K23 PolarHBondContact O-N 2.7Å
22	P	52.3	Low	63.4	Low	116 Å²	116	117.4 Å²	117.4	75%	0.753	61%	0.613	S	S	*	*			trans	-55.8	100.4	168.1	23.1	-29.7	0	0	0	104.7	N20 A24	N20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-A24 VanDerWaalsContact C-N 3.33Å; P22-A24 PolarHBondContact O-N 2.81Å
23	K	54.2	Low	64.8	Low	119 Å²	119	114.2 Å²	114.2	52%	0.517	59%	0.594	S	S	.	*			trans	-49.2	101.7	-165.2	-166.1	-175.3	-160	-155.9	0	106.2	Q21 R25 E26	Q21-K23 WeakPolarHBondContact O-CA 3.47Å; Q21-K23 PolarHBondContact O-N 2.7Å; K23-R25 PolarHBondContact O-N 3.37Å; K23-E26 HydrophobicContact CD-CG 4.21Å; K23-E26 WeakPolarHBondContact CE-OE1 3.37Å; K23-E26 WeakPolarHBondContact CE-OE2 3.07Å; K23-E26 HydrophobicContact CG-CG 4.23Å; K23-E26 IonicContact NZ-OE1 2.7Å; K23-E26 PolarHBondContact NZ-OE1 2.73Å; K23-E26 IonicContact NZ-OE2 3.92Å; K23-E26 PolarHBondContact NZ-OE2 3.15Å
24	A	54.7	Low	66.3	Low	86 Å²	86	111.2 Å²	111.2	71%	0.711	58%	0.584	S	S	*	*			trans	-51.7	116.1	-174.1	0	0	0	0	0	104.9	P22 E26	P22-A24 VanDerWaalsContact C-N 3.33Å; P22-A24 PolarHBondContact O-N 2.81Å; A24-E26 WeakPolarHBondContact O-CA 3.46Å; A24-E26 PolarHBondContact O-N 2.94Å
25	R	58.2	Low	67.9	Low	238 Å²	238	105.7 Å²	105.7	90%	0.898	55%	0.55	S	S	*	*			trans	-25.6	101.9	-174.9	174.9	179.4	171.7	-176.7	-4.3	107.9	K23 E27	K23-R25 PolarHBondContact O-N 3.37Å; R25-E27 VanDerWaalsContact C-N 3.31Å; R25-E27 PolarHBondContact O-N 2.83Å
26	E	63.6	Low	69.7	Low	58 Å²	58	108.6 Å²	108.6	27%	0.271	55%	0.547	S	S	.	.			trans	-56.6	104.7	-169.4	-80.4	-179	142.3	0	0	106.5	K23 A24 F28 V35	K23-E26 HydrophobicContact CD-CG 4.21Å; K23-E26 WeakPolarHBondContact CE-OE1 3.37Å; K23-E26 WeakPolarHBondContact CE-OE2 3.07Å; K23-E26 HydrophobicContact CG-CG 4.23Å; K23-E26 IonicContact NZ-OE1 2.7Å; K23-E26 PolarHBondContact NZ-OE1 2.73Å; K23-E26 IonicContact NZ-OE2 3.92Å; K23-E26 PolarHBondContact NZ-OE2 3.15Å; A24-E26 WeakPolarHBondContact O-CA 3.46Å; A24-E26 PolarHBondContact O-N 2.94Å; E26-F28 PolarHBondContact O-N 2.92Å; E26-V35 VanDerWaalsContact CD-CG1 3.49Å; E26-V35 WeakPolarHBondContact OE2-CB 3.39Å; E26-V35 WeakPolarHBondContact OE2-CG1 2.92Å
27	E	70.6	Confident	71.3	Confident	130 Å²	130	101.3 Å²	101.3	61%	0.607	51%	0.509	S	S	*	.			trans	-71.7	102.1	-174.9	-169.7	-176.2	-163.5	0	0	104.8	R25 K29	R25-E27 VanDerWaalsContact C-N 3.31Å; R25-E27 PolarHBondContact O-N 2.83Å; E27-K29 WeakPolarHBondContact O-CG 3.45Å; E27-K29 PolarHBondContact O-N 2.8Å; E27-K29 WeakPolarHBondContact OE2-CE 3.39Å; E27-K29 IonicContact OE2-NZ 3.34Å; E27-K29 PolarHBondContact OE2-NZ 2.76Å
28	F	83.6	Confident	72.8	Confident	45 Å²	45	99.4 Å²	99.4	20%	0.197	51%	0.506	C	S	.	.			trans	-57.3	134.1	172.2	-68.1	-71.7	0	0	0	107.6	E26 V35 H87 I96 Y99	E26-F28 PolarHBondContact O-N 2.92Å; F28-V35 HydrophobicContact CE1-CG1 4.46Å; F28-H87 HydrophobicContact CD1-CB 4.05Å; F28-H87 AromaticContact CD1-CD2 3.67Å; F28-H87 AromaticContact CD1-CE1 3.78Å; F28-H87 AromaticContact CD1-CG 3.53Å; F28-H87 AromaticContact CD1-ND1 3.62Å; F28-H87 AromaticContact CD1-NE2 3.82Å; F28-H87 HydrophobicContact CE1-CB 4.15Å; F28-I96 HydrophobicContact CE1-CG2 4.05Å; F28-I96 HydrophobicContact CZ-CG2 3.67Å; F28-Y99 WeakPolarHBondContact O-CD2 3.28Å
29	K	85.3	Confident	74.3	Confident	66 Å²	66	95.4 Å²	95.4	29%	0.287	48%	0.484	S	S	.	.			trans	-130.7	-178.1	179.4	-62	-167.5	-168.9	-124.3	0	107.9	E27 R31 H87	E27-K29 WeakPolarHBondContact O-CG 3.45Å; E27-K29 PolarHBondContact O-N 2.8Å; E27-K29 WeakPolarHBondContact OE2-CE 3.39Å; E27-K29 IonicContact OE2-NZ 3.34Å; E27-K29 PolarHBondContact OE2-NZ 2.76Å; K29-R31 HydrophobicContact CB-CG 4.18Å; K29-R31 PolarHBondContact O-N 2.73Å; K29-H87 PolarHBondContact O-CE1 3.41Å; K29-H87 PolarHBondContact O-NE2 2.93Å
30	D	81	Confident	75.8	Confident	65 Å²	65	93.1 Å²	93.1	35%	0.348	47%	0.471	S	S	.	.	S	Bend	trans	-71.9	24.3	175.4	63.8	-21.4	0	0	0	115.6	V85 Y99 R101	D30-V85 HydrophobicContact CB-CG2 4.11Å; D30-Y99 HydrophobicContact CB-CD1 4.15Å; D30-Y99 HydrophobicContact CB-CE1 4.12Å; D30-R101 IonicContact OD2-CZ 3.09Å; D30-R101 IonicContact OD2-NH1 2.8Å; D30-R101 PolarHBondContact OD2-NH1 3.2Å; D30-R101 VanDerWaalsContact OD2-NH1 3.16Å; D30-R101 IonicContact OD2-NH2 3.86Å; D30-R101 PolarHBondContact OD2-NH2 3.27Å
31	R	84.6	Confident	77.3	Confident	155 Å²	155	87.2 Å²	87.2	59%	0.585	45%	0.447	S	S	*	.	S	Bend	trans	-136.4	146.7	-179.5	56.4	178.4	162.9	-177.4	-5.4	111.7	K29 T33 H87	K29-R31 HydrophobicContact CB-CG 4.18Å; K29-R31 PolarHBondContact O-N 2.73Å; R31-T33 PolarHBondContact O-N 3.39Å; R31-T33 PolarHBondContact O-OG1 3.3Å; R31-H87 PolarHBondContact O-CE1 3.39Å; R31-H87 VanDerWaalsContact O-CE1 3.29Å
32	P	85.1	Confident	78.9	Confident	72 Å²	72	86.8 Å²	86.8	47%	0.468	44%	0.443	S	S	.	.			trans	-54.1	132.5	173.9	-23.5	34.8	0	0	0	109.9	S45 T46 L48	P32-S45 WeakPolarHBondContact CB-OG 3.41Å; P32-T46 WeakPolarHBondContact CB-O 2.97Å; P32-L48 VanDerWaalsContact CD-CD1 3.47Å; P32-L48 HydrophobicContact CG-CD1 3.93Å; P32-L48 HydrophobicContact CG-CG 4.03Å
33	T	84.2	Confident	80.7	Confident	30 Å²	30	87.9 Å²	87.9	18%	0.184	44%	0.442	C	S	.	.			trans	-118.5	137.2	179.8	-59.4	0	0	0	0	108.8	R31 V35 T46	R31-T33 PolarHBondContact O-N 3.39Å; R31-T33 PolarHBondContact O-OG1 3.3Å; T33-V35 HydrophobicContact CG2-CG1 3.67Å; T33-V35 PolarHBondContact O-N 2.8Å; T33-T46 PolarHBondContact N-OG1 2.94Å; T33-T46 PolarHBondContact O-N 3.47Å; T33-T46 PolarHBondContact O-OG1 2.93Å
34	N	87	Confident	82.3	Confident	121 Å²	121	83 Å²	83	65%	0.647	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	107	175.9	-77	-60.6	0	0	0	108.9	I44 S45	N34-I44 WeakPolarHBondContact CA-O 3.18Å; N34-S45 WeakPolarHBondContact OD1-CB 3.47Å
35	V	86.1	Confident	84	Confident	4 Å²	4	81.5 Å²	81.5	2%	0.024	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155	-177.6	-50.4	0	0	0	0	109.4	E26 F28 T33 C37 I44 T46 I96	E26-V35 VanDerWaalsContact CD-CG1 3.49Å; E26-V35 WeakPolarHBondContact OE2-CB 3.39Å; E26-V35 WeakPolarHBondContact OE2-CG1 2.92Å; F28-V35 HydrophobicContact CE1-CG1 4.46Å; T33-V35 HydrophobicContact CG2-CG1 3.67Å; T33-V35 PolarHBondContact O-N 2.8Å; V35-C37 PolarHBondContact O-N 3.38Å; V35-I44 HydrophobicContact CG2-CD1 3.97Å; V35-I44 PolarHBondContact N-O 3.5Å; V35-I44 PolarHBondContact O-N 3.06Å; V35-I44 VanDerWaalsContact O-O 3.05Å; V35-T46 HydrophobicContact CG2-CG2 3.61Å; V35-I96 HydrophobicContact CG2-CG2 4.28Å
36	R	89.2	Confident	85.5	Confident	168 Å²	168	70.3 Å²	70.3	63%	0.634	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.9	169.3	-168.6	174.6	-177.8	-156.3	-0.7	107.8	G41 N43	R36-G41 WeakPolarHBondContact CG-O 3.46Å; R36-G41 PolarHBondContact NE-O 2.79Å; R36-N43 WeakPolarHBondContact CB-OD1 3.48Å; R36-N43 WeakPolarHBondContact CG-OD1 3.39Å
37	C	88.2	Confident	86.9	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.007	37%	0.371	C	S	.	.			trans	-61.5	125.7	-179	173.8	0	0	0	0	109.9	V35 S39 C40 G41 K42 I44 C89 I96	V35-C37 PolarHBondContact O-N 3.38Å; C37-S39 PolarHBondContact O-N 3.3Å; C37-S39 PolarHBondContact SG-N 3.46Å; C37-S39 VanDerWaalsContact SG-N 3.41Å; C37-C40 WeakPolarHBondContact CB-SG 3.36Å; C37-C40 PolarHBondContact SG-N 3.06Å; C37-G41 WeakPolarHBondContact O-CA 3.17Å; C37-G41 PolarHBondContact O-N 2.87Å; C37-K42 PolarHBondContact N-O 2.94Å; C37-I44 HydrophobicContact CB-CG1 3.96Å; C37-C89 HydrophobicContact CB-CB 4.47Å; C37-I96 HydrophobicContact CB-CD1 4.36Å
38	P	87.9	Confident	87.8	Confident	106 Å²	106	67 Å²	67	69%	0.688	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.8	-179	28.2	-34.7	0	0	0	112.7
39	S	91.9	Very high	88.1	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-30.1	-175.1	-63.4	0	0	0	0	114.6	C37 R94	C37-S39 PolarHBondContact O-N 3.3Å; C37-S39 PolarHBondContact SG-N 3.46Å; C37-S39 VanDerWaalsContact SG-N 3.41Å; S39-R94 VanDerWaalsContact CB-CD 3.48Å; S39-R94 VanDerWaalsContact CB-NH1 3.31Å; S39-R94 WeakPolarHBondContact OG-CD 3.33Å; S39-R94 PolarHBondContact OG-NH1 3.41Å
40	C	93	Very high	88.2	Confident	43 Å²	43	70 Å²	70	29%	0.291	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-9.2	174.3	70	0	0	0	0	113.7	C37 K42 C92	C37-C40 WeakPolarHBondContact CB-SG 3.36Å; C37-C40 PolarHBondContact SG-N 3.06Å; C40-K42 PolarHBondContact O-N 2.87Å; C40-K42 VanDerWaalsContact O-N 3.15Å; C40-C92 HydrophobicContact CB-CB 4.31Å
41	G	89.1	Confident	88.4	Confident	30 Å²	30	69.7 Å²	69.7	31%	0.309	36%	0.358	S	S	.	.			trans	71.2	1.9	178.7	0	0	0	0	0	115.3	R36 C37	R36-G41 WeakPolarHBondContact CG-O 3.46Å; R36-G41 PolarHBondContact NE-O 2.79Å; C37-G41 WeakPolarHBondContact O-CA 3.17Å; C37-G41 PolarHBondContact O-N 2.87Å
42	K	87.3	Confident	88.2	Confident	119 Å²	119	65.3 Å²	65.3	52%	0.517	35%	0.346	S	S	.	.			trans	-84.6	144.5	179.5	-59.6	-178.9	-170.8	175.9	0	111	C37 C40 I44 S91	C37-K42 PolarHBondContact N-O 2.94Å; C40-K42 PolarHBondContact O-N 2.87Å; C40-K42 VanDerWaalsContact O-N 3.15Å; K42-I44 HydrophobicContact CB-CG2 4.04Å; K42-I44 PolarHBondContact O-N 2.85Å; K42-S91 PolarHBondContact NZ-OG 2.93Å
43	N	90.3	Very high	88.2	Confident	139 Å²	139	62.2 Å²	62.2	74%	0.743	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	115.7	167.6	-68.3	-22.9	0	0	0	108.1	R36	R36-N43 WeakPolarHBondContact CB-OD1 3.48Å; R36-N43 WeakPolarHBondContact CG-OD1 3.39Å
44	I	87.6	Confident	88.1	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.082	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.6	-175.8	57.2	82	0	0	0	109.7	N34 V35 C37 K42 T46 C89 P90	N34-I44 WeakPolarHBondContact CA-O 3.18Å; V35-I44 HydrophobicContact CG2-CD1 3.97Å; V35-I44 PolarHBondContact N-O 3.5Å; V35-I44 PolarHBondContact O-N 3.06Å; V35-I44 VanDerWaalsContact O-O 3.05Å; C37-I44 HydrophobicContact CB-CG1 3.96Å; K42-I44 HydrophobicContact CB-CG2 4.04Å; K42-I44 PolarHBondContact O-N 2.85Å; I44-T46 HydrophobicContact CD1-CG2 3.83Å; I44-C89 HydrophobicContact CD1-CB 4.43Å; I44-P90 HydrophobicContact CB-CG 4.29Å
45	S	89.9	Confident	87.8	Confident	55 Å²	55	62.1 Å²	62.1	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.5	161.1	-173.6	0	0	0	0	107.6	P32 N34 Q47 P90	P32-S45 WeakPolarHBondContact CB-OG 3.41Å; N34-S45 WeakPolarHBondContact OD1-CB 3.47Å; S45-Q47 PolarHBondContact O-N 3.33Å; S45-P90 WeakPolarHBondContact O-CD 3.47Å; S45-P90 WeakPolarHBondContact O-CG 3.42Å
46	T	90.4	Very high	87.6	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-61.4	134.7	-179.3	56.3	0	0	0	0	110.8	P32 T33 V35 I44 H87 K88 I96	P32-T46 WeakPolarHBondContact CB-O 2.97Å; T33-T46 PolarHBondContact N-OG1 2.94Å; T33-T46 PolarHBondContact O-N 3.47Å; T33-T46 PolarHBondContact O-OG1 2.93Å; V35-T46 HydrophobicContact CG2-CG2 3.61Å; I44-T46 HydrophobicContact CD1-CG2 3.83Å; T46-H87 HydrophobicContact CG2-CB 3.97Å; T46-H87 PolarHBondContact OG1-ND1 3.03Å; T46-K88 CarbonylContact C-O 3.5Å; T46-K88 WeakPolarHBondContact CA-O 3.36Å; T46-I96 HydrophobicContact CG2-CG1 4.49Å
47	Q	91.9	Very high	87.4	Confident	91 Å²	91	60.2 Å²	60.2	43%	0.425	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.2	166.8	-168.3	-153.1	66.6	0	0	109	S45 H87 K88	S45-Q47 PolarHBondContact O-N 3.33Å; Q47-H87 WeakPolarHBondContact O-CA 3.43Å; Q47-K88 PolarHBondContact N-O 3.45Å; Q47-K88 PolarHBondContact O-N 3.2Å
48	L	90.4	Very high	87.1	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.4	176.4	-56.9	179.4	0	0	0	110.7	P32 Y50 V85 D86 H87	P32-L48 VanDerWaalsContact CD-CD1 3.47Å; P32-L48 HydrophobicContact CG-CD1 3.93Å; P32-L48 HydrophobicContact CG-CG 4.03Å; L48-Y50 HydrophobicContact CB-CE2 4.19Å; L48-V85 HydrophobicContact CB-CG1 3.73Å; L48-V85 HydrophobicContact CD1-CG1 4.04Å; L48-V85 HydrophobicContact CD2-CG1 3.49Å; L48-V85 VanDerWaalsContact CD2-CG1 3.49Å; L48-V85 HydrophobicContact CG-CG1 3.92Å; L48-D86 CarbonylContact C-O 3.56Å; L48-D86 WeakPolarHBondContact CA-O 3.25Å; L48-H87 WeakPolarHBondContact CD2-CE1 3.33Å; L48-H87 WeakPolarHBondContact CD2-ND1 3.26Å
49	E	90.1	Very high	86.9	Confident	78 Å²	78	58.8 Å²	58.8	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.1	165.8	-69.7	-171.1	-166.4	0	0	109.8	V85 D86 K88	E49-V85 CarbonylContact O-C 3.56Å; E49-V85 WeakPolarHBondContact O-CA 3.36Å; E49-D86 HydrophobicContact CB-CB 4.36Å; E49-D86 PolarHBondContact N-O 3.09Å; E49-D86 PolarHBondContact O-N 3.12Å; E49-K88 VanDerWaalsContact CD-CE 3.46Å; E49-K88 HydrophobicContact CG-CD 4.46Å; E49-K88 WeakPolarHBondContact OE1-CD 3.18Å; E49-K88 WeakPolarHBondContact OE1-CE 3.06Å; E49-K88 IonicContact OE1-NZ 3.79Å; E49-K88 PolarHBondContact OE1-NZ 2.99Å; E49-K88 VanDerWaalsContact OE2-CE 3.25Å; E49-K88 WeakPolarHBondContact OE2-CE 3.28Å; E49-K88 IonicContact OE2-NZ 2.85Å; E49-K88 PolarHBondContact OE2-NZ 3.47Å
50	Y	87.2	Confident	86.4	Confident	97 Å²	97	57.5 Å²	57.5	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.8	-176.9	-63.1	-93.3	0	0	0	110.2	L48 K80 K83 D84 V85	L48-Y50 HydrophobicContact CB-CE2 4.19Å; Y50-K80 HydrophobicContact CD1-CB 4.35Å; Y50-K80 HydrophobicContact CE1-CB 4.46Å; Y50-K83 HydrophobicContact CD1-CB 4.42Å; Y50-D84 WeakPolarHBondContact CA-O 3.27Å; Y50-V85 HydrophobicContact CD1-CG2 3.77Å; Y50-V85 HydrophobicContact CE1-CG2 3.73Å
51	H	84.7	Confident	86	Confident	58 Å²	58	60.4 Å²	60.4	27%	0.269	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.1	176.8	67.1	-97.6	0	0	0	111.9	G53 K83 D84 D86 H100	H51-G53 PolarHBondContact O-N 3.29Å; H51-G53 VanDerWaalsContact O-N 3.1Å; H51-K83 WeakPolarHBondContact O-CA 2.97Å; H51-K83 WeakPolarHBondContact O-CB 3.2Å; H51-D84 PolarHBondContact N-O 2.97Å; H51-D84 VanDerWaalsContact NE2-CB 3.27Å; H51-D84 WeakPolarHBondContact NE2-CB 3.36Å; H51-D84 IonicContact NE2-OD2 3.38Å; H51-D84 PolarHBondContact O-N 3.11Å; H51-D86 VanDerWaalsContact CE1-CG 3.47Å; H51-D86 IonicContact CE1-OD1 3.16Å; H51-D86 PolarHBondContact CE1-OD1 2.86Å; H51-D86 IonicContact CE1-OD2 2.76Å; H51-D86 PolarHBondContact CE1-OD2 2.82Å; H51-D86 IonicContact CG-OD2 3.83Å; H51-D86 VanDerWaalsContact ND1-CG 3.27Å; H51-D86 IonicContact ND1-OD1 2.83Å; H51-D86 PolarHBondContact ND1-OD1 3.15Å; H51-D86 IonicContact ND1-OD2 2.61Å; H51-D86 PolarHBondContact ND1-OD2 3.34Å; H51-H100 AromaticContact NE2-CE1 3.75Å
52	N	81.7	Confident	85.9	Confident	64 Å²	64	60 Å²	60	34%	0.342	31%	0.314	S	S	.	.			trans	-76.1	102.8	-177.3	-62.1	-8.6	0	0	0	109.5	T56 K83	N52-T56 HydrophobicContact CB-CG2 4.21Å; N52-K83 WeakPolarHBondContact OD1-CD 3.37Å; N52-K83 WeakPolarHBondContact OD1-CE 3.35Å; N52-K83 PolarHBondContact OD1-NZ 3.4Å
53	G	83.6	Confident	85.6	Confident	7 Å²	7	56.3 Å²	56.3	7%	0.072	30%	0.299	C	S	.	.			trans	-93.6	-171.4	177.8	0	0	0	0	0	113.9	H51 L55 T56 Y57 D84	H51-G53 PolarHBondContact O-N 3.29Å; H51-G53 VanDerWaalsContact O-N 3.1Å; G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 3.16Å; G53-T56 WeakPolarHBondContact O-CB 3.48Å; G53-T56 PolarHBondContact O-N 2.81Å; G53-Y57 WeakPolarHBondContact O-CD2 3.41Å; G53-Y57 PolarHBondContact O-N 3.33Å; G53-D84 VanDerWaalsContact CA-OD2 3.3Å; G53-D84 WeakPolarHBondContact CA-OD2 3.2Å
54	L	81.7	Confident	85.2	Confident	105 Å²	105	56.7 Å²	56.7	55%	0.55	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-38.5	-178.4	-175.5	60.7	0	0	0	112.8	T56 Y57 A58 I102	L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 PolarHBondContact O-N 2.86Å; L54-Y57 PolarHBondContact O-N 3.44Å; L54-A58 PolarHBondContact O-N 2.76Å; L54-I102 HydrophobicContact CD2-CG2 3.93Å
55	L	82.1	Confident	85	Confident	43 Å²	43	62 Å²	62	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-36.3	177	175.7	58.6	0	0	0	112.5	G53 A58 A59 C82 R101 I102	G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 3.16Å; L55-A58 PolarHBondContact O-N 2.76Å; L55-A59 WeakPolarHBondContact O-CB 3.34Å; L55-A59 PolarHBondContact O-N 2.92Å; L55-C82 HydrophobicContact CD2-CB 4.45Å; L55-C82 HydrophobicContact CG-CB 4.2Å; L55-R101 HydrophobicContact CD2-CB 3.9Å; L55-I102 HydrophobicContact CB-CD1 3.81Å; L55-I102 HydrophobicContact CB-CG1 4.07Å; L55-I102 HydrophobicContact CD1-CD1 3.56Å; L55-I102 HydrophobicContact CD1-CG1 4.43Å; L55-I102 HydrophobicContact CG-CD1 4.15Å
56	T	82	Confident	84.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-44.4	177.7	-55.4	0	0	0	0	109.8	N52 G53 L54 C60 F77 C82	N52-T56 HydrophobicContact CB-CG2 4.21Å; G53-T56 WeakPolarHBondContact O-CB 3.48Å; G53-T56 PolarHBondContact O-N 2.81Å; L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 PolarHBondContact O-N 2.86Å; T56-C60 PolarHBondContact O-N 3.41Å; T56-C60 VanDerWaalsContact O-N 3.13Å; T56-C60 PolarHBondContact O-SG 3.37Å; T56-F77 HydrophobicContact CG2-CD1 3.97Å; T56-F77 HydrophobicContact CG2-CE1 3.95Å; T56-C82 PolarHBondContact N-O 3.24Å; T56-C82 PolarHBondContact OG1-O 3.1Å
57	Y	83.7	Confident	84	Confident	133 Å²	133	71.3 Å²	71.3	52%	0.522	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-44	177	-64.9	-77.3	0	0	0	112.8	G53 L54 A59 C60 I61	G53-Y57 WeakPolarHBondContact O-CD2 3.41Å; G53-Y57 PolarHBondContact O-N 3.33Å; L54-Y57 PolarHBondContact O-N 3.44Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-A59 PolarHBondContact O-N 2.92Å; Y57-C60 WeakPolarHBondContact O-CB 3.43Å; Y57-C60 PolarHBondContact O-N 2.94Å; Y57-I61 WeakPolarHBondContact O-CG1 3.44Å; Y57-I61 PolarHBondContact O-N 2.79Å
58	A	83.5	Confident	82.9	Confident	49 Å²	49	67.3 Å²	67.3	41%	0.405	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-42.8	178.1	0	0	0	0	0	111.9	L54 L55 I61 G62	L54-A58 PolarHBondContact O-N 2.76Å; L55-A58 PolarHBondContact O-N 2.76Å; A58-I61 PolarHBondContact O-N 2.57Å; A58-G62 PolarHBondContact O-N 2.52Å
59	A	82.8	Confident	81.7	Confident	28 Å²	28	70.2 Å²	70.2	23%	0.231	39%	0.385	C	S	.	.	H	α-helix	trans	-63.9	-40.6	175.7	0	0	0	0	0	112.1	L55 Y57 G62 I63 P76	L55-A59 WeakPolarHBondContact O-CB 3.34Å; L55-A59 PolarHBondContact O-N 2.92Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-A59 PolarHBondContact O-N 2.92Å; A59-G62 PolarHBondContact O-N 3.02Å; A59-I63 WeakPolarHBondContact O-CG1 3.32Å; A59-I63 PolarHBondContact O-N 3.26Å; A59-P76 HydrophobicContact CB-CB 3.79Å; A59-P76 HydrophobicContact CB-CG 3.86Å
60	C	82.1	Confident	80.5	Confident	24 Å²	24	72.8 Å²	72.8	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-60.3	-45.8	174.1	-69.9	0	0	0	0	112.2	T56 Y57 I63 F64 F77	T56-C60 PolarHBondContact O-N 3.41Å; T56-C60 VanDerWaalsContact O-N 3.13Å; T56-C60 PolarHBondContact O-SG 3.37Å; Y57-C60 WeakPolarHBondContact O-CB 3.43Å; Y57-C60 PolarHBondContact O-N 2.94Å; C60-I63 PolarHBondContact O-N 2.76Å; C60-F64 WeakPolarHBondContact O-CB 3.48Å; C60-F64 PolarHBondContact O-N 2.76Å; C60-F77 WeakPolarHBondContact SG-CE2 3.47Å
61	I	84.5	Confident	79.4	Confident	104 Å²	104	70.2 Å²	70.2	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-46	177.6	-66.5	165.8	0	0	0	110.4	Y57 A58 I63 F64 L65	Y57-I61 WeakPolarHBondContact O-CG1 3.44Å; Y57-I61 PolarHBondContact O-N 2.79Å; A58-I61 PolarHBondContact O-N 2.57Å; I61-I63 PolarHBondContact O-N 2.88Å; I61-F64 WeakPolarHBondContact O-CB 3.4Å; I61-F64 PolarHBondContact O-N 2.96Å; I61-L65 HydrophobicContact CG2-CD1 3.98Å; I61-L65 HydrophobicContact CG2-CG 4.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.04Å
62	G	85.4	Confident	78.5	Confident	22 Å²	22	69.5 Å²	69.5	23%	0.227	41%	0.414	C	S	.	.	H	α-helix	trans	-55.7	-52.2	177.4	0	0	0	0	0	111.7	A58 A59 F64 L65 F66	A58-G62 PolarHBondContact O-N 2.52Å; A59-G62 PolarHBondContact O-N 3.02Å; G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 2.85Å; G62-L65 PolarHBondContact O-N 2.85Å; G62-L65 VanDerWaalsContact O-N 3.15Å; G62-F66 WeakPolarHBondContact O-CD2 3.47Å; G62-F66 PolarHBondContact O-N 2.73Å
63	I	82.5	Confident	77.5	Confident	40 Å²	40	68.8 Å²	68.8	21%	0.205	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-41.2	178.5	-67.1	174.2	0	0	0	111.6	A59 C60 I61 L65 F66 G68 C72 P76	A59-I63 WeakPolarHBondContact O-CG1 3.32Å; A59-I63 PolarHBondContact O-N 3.26Å; C60-I63 PolarHBondContact O-N 2.76Å; I61-I63 PolarHBondContact O-N 2.88Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 2.96Å; I63-F66 PolarHBondContact O-N 3.09Å; I63-G68 VanDerWaalsContact O-CA 3.28Å; I63-G68 WeakPolarHBondContact O-CA 3.06Å; I63-G68 PolarHBondContact O-N 2.99Å; I63-C72 HydrophobicContact CG2-CB 4.29Å; I63-C72 VanDerWaalsContact CG2-SG 3.54Å; I63-P76 VanDerWaalsContact CD1-CD 3.49Å; I63-P76 HydrophobicContact CD1-CG 3.37Å
64	F	82	Confident	76.5	Confident	148 Å²	148	73.6 Å²	73.6	65%	0.649	44%	0.437	S	S	*	.	H	α-helix	trans	-60	-44.3	176.9	-177.4	-100.1	0	0	0	111.8	C60 I61 G62 F66 G67	C60-F64 WeakPolarHBondContact O-CB 3.48Å; C60-F64 PolarHBondContact O-N 2.76Å; I61-F64 WeakPolarHBondContact O-CB 3.4Å; I61-F64 PolarHBondContact O-N 2.96Å; G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 2.85Å; F64-F66 PolarHBondContact O-N 3.1Å; F64-G67 PolarHBondContact O-N 2.8Å
65	L	83.7	Confident	76	Confident	128 Å²	128	73.1 Å²	73.1	67%	0.67	43%	0.434	S	S	*	.	H	α-helix	trans	-66.6	-34.3	178.5	-68.2	175.8	0	0	0	113.1	I61 G62 I63 G67	I61-L65 HydrophobicContact CG2-CD1 3.98Å; I61-L65 HydrophobicContact CG2-CG 4.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.04Å; G62-L65 PolarHBondContact O-N 2.85Å; G62-L65 VanDerWaalsContact O-N 3.15Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 2.96Å; L65-G67 PolarHBondContact O-N 3.34Å; L65-G67 VanDerWaalsContact O-N 3.17Å
66	F	82.2	Confident	75.2	Confident	188 Å²	188	71.3 Å²	71.3	83%	0.825	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	20	178.6	-70.4	-69.4	0	0	0	114	G62 I63 F64 G68	G62-F66 WeakPolarHBondContact O-CD2 3.47Å; G62-F66 PolarHBondContact O-N 2.73Å; I63-F66 PolarHBondContact O-N 3.09Å; F64-F66 PolarHBondContact O-N 3.1Å; F66-G68 VanDerWaalsContact C-N 3.31Å; F66-G68 PolarHBondContact O-N 2.61Å
67	G	75.9	Confident	74.4	Confident	63 Å²	63	75.1 Å²	75.1	65%	0.649	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	16.1	176.3	0	0	0	0	0	113.8	F64 L65 A69	F64-G67 PolarHBondContact O-N 2.8Å; L65-G67 PolarHBondContact O-N 3.34Å; L65-G67 VanDerWaalsContact O-N 3.17Å; G67-A69 PolarHBondContact O-N 3.38Å
68	G	69.7	Low	73.5	Confident	8 Å²	8	73.6 Å²	73.6	8%	0.082	45%	0.45	C	S	.	.			trans	-76.1	49.9	179.8	0	0	0	0	0	114.6	I63 F66 C72	I63-G68 VanDerWaalsContact O-CA 3.28Å; I63-G68 WeakPolarHBondContact O-CA 3.06Å; I63-G68 PolarHBondContact O-N 2.99Å; F66-G68 VanDerWaalsContact C-N 3.31Å; F66-G68 PolarHBondContact O-N 2.61Å; G68-C72 VanDerWaalsContact C-SG 3.5Å; G68-C72 WeakPolarHBondContact CA-SG 3.17Å; G68-C72 PolarHBondContact O-SG 3.28Å; G68-C72 VanDerWaalsContact O-SG 3.4Å
69	A	65	Low	72.8	Confident	88 Å²	88	74.1 Å²	74.1	73%	0.727	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.6	176.2	0	0	0	0	0	112.8	G67 G71	G67-A69 PolarHBondContact O-N 3.38Å; A69-G71 PolarHBondContact O-N 2.83Å
70	C	65.2	Low	71.9	Confident	132 Å²	132	79.4 Å²	79.4	89%	0.892	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	45	-175.9	-157.1	0	0	0	0	113.2	C72	C70-C72 VanDerWaalsContact C-N 3.33Å; C70-C72 PolarHBondContact O-N 3.14Å
71	G	64.1	Low	71.3	Confident	43 Å²	43	80.9 Å²	80.9	44%	0.443	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-5.7	173.2	0	0	0	0	0	116.7	A69 C73 L74	A69-G71 PolarHBondContact O-N 2.83Å; G71-C73 PolarHBondContact O-N 2.96Å; G71-L74 PolarHBondContact O-N 3.06Å
72	C	64.7	Low	70.5	Confident	42 Å²	42	77 Å²	77	28%	0.284	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-70.7	-12.5	174.1	56	0	0	0	0	113.6	I63 G68 C70 L74 I75	I63-C72 HydrophobicContact CG2-CB 4.29Å; I63-C72 VanDerWaalsContact CG2-SG 3.54Å; G68-C72 VanDerWaalsContact C-SG 3.5Å; G68-C72 WeakPolarHBondContact CA-SG 3.17Å; G68-C72 PolarHBondContact O-SG 3.28Å; G68-C72 VanDerWaalsContact O-SG 3.4Å; C70-C72 VanDerWaalsContact C-N 3.33Å; C70-C72 PolarHBondContact O-N 3.14Å; C72-L74 PolarHBondContact O-N 3.27Å; C72-L74 VanDerWaalsContact O-N 3.14Å; C72-I75 HydrophobicContact CB-CD1 3.68Å; C72-I75 HydrophobicContact CB-CG1 4.37Å; C72-I75 WeakPolarHBondContact O-CB 3.27Å; C72-I75 VanDerWaalsContact O-CG1 3.26Å; C72-I75 WeakPolarHBondContact O-CG1 3.33Å; C72-I75 PolarHBondContact O-N 3.18Å
73	C	60.8	Low	70.3	Confident	49 Å²	49	77.8 Å²	77.8	33%	0.331	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15.2	171.9	55.2	0	0	0	0	113.9	G71 P76	G71-C73 PolarHBondContact O-N 2.96Å; C73-P76 WeakPolarHBondContact O-CD 3.29Å
74	L	63.5	Low	70.4	Confident	109 Å²	109	76.1 Å²	76.1	57%	0.571	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-83.9	-15.7	173.8	-65.9	174.1	0	0	0	113.4	G71 C72 P76 F77 C78	G71-L74 PolarHBondContact O-N 3.06Å; C72-L74 PolarHBondContact O-N 3.27Å; C72-L74 VanDerWaalsContact O-N 3.14Å; L74-P76 VanDerWaalsContact C-CD 3.49Å; L74-F77 PolarHBondContact O-N 2.99Å; L74-F77 VanDerWaalsContact O-N 3.1Å; L74-C78 PolarHBondContact O-N 3.48Å; L74-C78 VanDerWaalsContact O-N 3.09Å; L74-C78 PolarHBondContact O-SG 2.9Å; L74-C78 VanDerWaalsContact O-SG 3.33Å
75	I	70.5	Confident	70.6	Confident	95 Å²	95	69.1 Å²	69.1	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-57.3	-44.8	-178.8	-59.9	171.6	0	0	0	112	C72 F77 C78 V79	C72-I75 HydrophobicContact CB-CD1 3.68Å; C72-I75 HydrophobicContact CB-CG1 4.37Å; C72-I75 WeakPolarHBondContact O-CB 3.27Å; C72-I75 VanDerWaalsContact O-CG1 3.26Å; C72-I75 WeakPolarHBondContact O-CG1 3.33Å; C72-I75 PolarHBondContact O-N 3.18Å; I75-F77 VanDerWaalsContact C-N 3.26Å; I75-F77 PolarHBondContact O-N 3.44Å; I75-C78 WeakPolarHBondContact O-CB 3.35Å; I75-C78 PolarHBondContact O-N 3.34Å; I75-C78 VanDerWaalsContact O-N 3.12Å; I75-V79 HydrophobicContact CG2-CG2 4.04Å; I75-V79 VanDerWaalsContact O-CG2 3.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.46Å; I75-V79 PolarHBondContact O-N 2.91Å
76	P	65.7	Low	70.9	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.032	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-35.4	177.1	-23	34.3	0	0	0	113.3	A59 I63 C73 L74 C78 V79	A59-P76 HydrophobicContact CB-CB 3.79Å; A59-P76 HydrophobicContact CB-CG 3.86Å; I63-P76 VanDerWaalsContact CD1-CD 3.49Å; I63-P76 HydrophobicContact CD1-CG 3.37Å; C73-P76 WeakPolarHBondContact O-CD 3.29Å; L74-P76 VanDerWaalsContact C-CD 3.49Å; P76-C78 VanDerWaalsContact C-N 3.34Å; P76-V79 PolarHBondContact O-N 3.34Å
77	F	65.8	Low	71.4	Confident	80 Å²	80	55.4 Å²	55.4	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-71.9	-31.2	178.3	-71	-76.4	0	0	0	112.5	T56 C60 L74 I75 K83	T56-F77 HydrophobicContact CG2-CD1 3.97Å; T56-F77 HydrophobicContact CG2-CE1 3.95Å; C60-F77 WeakPolarHBondContact SG-CE2 3.47Å; L74-F77 PolarHBondContact O-N 2.99Å; L74-F77 VanDerWaalsContact O-N 3.1Å; I75-F77 VanDerWaalsContact C-N 3.26Å; I75-F77 PolarHBondContact O-N 3.44Å; F77-K83 VanDerWaalsContact O-CE 3.28Å; F77-K83 WeakPolarHBondContact O-CE 3.3Å; F77-K83 PolarHBondContact O-NZ 3.22Å; F77-K83 VanDerWaalsContact O-NZ 3.11Å
78	C	64.1	Low	72.2	Confident	101 Å²	101	54.9 Å²	54.9	68%	0.682	34%	0.335	S	S	*	.	H	α-helix	trans	-75.5	-29.7	175	-65.3	0	0	0	0	112.3	L74 I75 P76 K80	L74-C78 PolarHBondContact O-N 3.48Å; L74-C78 VanDerWaalsContact O-N 3.09Å; L74-C78 PolarHBondContact O-SG 2.9Å; L74-C78 VanDerWaalsContact O-SG 3.33Å; I75-C78 WeakPolarHBondContact O-CB 3.35Å; I75-C78 PolarHBondContact O-N 3.34Å; I75-C78 VanDerWaalsContact O-N 3.12Å; P76-C78 VanDerWaalsContact C-N 3.34Å; C78-K80 PolarHBondContact O-N 3.13Å
79	V	68.4	Low	73.3	Confident	59 Å²	59	54.5 Å²	54.5	36%	0.358	33%	0.331	S	S	.	.			trans	-85.1	102.2	-176.6	176.8	0	0	0	0	110.2	I75 P76 A81 C82	I75-V79 HydrophobicContact CG2-CG2 4.04Å; I75-V79 VanDerWaalsContact O-CG2 3.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.46Å; I75-V79 PolarHBondContact O-N 2.91Å; P76-V79 PolarHBondContact O-N 3.34Å; V79-A81 HydrophobicContact CG1-CB 3.62Å; V79-A81 PolarHBondContact O-N 3.18Å; V79-C82 WeakPolarHBondContact O-CB 3.46Å; V79-C82 PolarHBondContact O-N 3.47Å
80	K	64.7	Low	74.6	Confident	139 Å²	139	53.3 Å²	53.3	60%	0.604	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23.3	172.3	-62.6	178.2	-173.2	172.3	0	113.1	Y50 C78 C82 K83	Y50-K80 HydrophobicContact CD1-CB 4.35Å; Y50-K80 HydrophobicContact CE1-CB 4.46Å; C78-K80 PolarHBondContact O-N 3.13Å; K80-C82 PolarHBondContact O-N 3Å; K80-K83 WeakPolarHBondContact O-CB 3.05Å; K80-K83 PolarHBondContact O-N 3.29Å; K80-K83 VanDerWaalsContact O-N 3.14Å
81	A	68.3	Low	75.9	Confident	55 Å²	55	49.8 Å²	49.8	46%	0.455	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-68	-14.1	175.7	0	0	0	0	0	113.6	V79 R101	V79-A81 HydrophobicContact CG1-CB 3.62Å; V79-A81 PolarHBondContact O-N 3.18Å; A81-R101 WeakPolarHBondContact O-CD 3.27Å; A81-R101 PolarHBondContact O-NE 3.3Å
82	C	68.8	Low	77.3	Confident	22 Å²	22	50 Å²	50	15%	0.149	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-91	-3.7	173.9	-61.9	0	0	0	0	113.3	L55 T56 V79 K80	L55-C82 HydrophobicContact CD2-CB 4.45Å; L55-C82 HydrophobicContact CG-CB 4.2Å; T56-C82 PolarHBondContact N-O 3.24Å; T56-C82 PolarHBondContact OG1-O 3.1Å; V79-C82 WeakPolarHBondContact O-CB 3.46Å; V79-C82 PolarHBondContact O-N 3.47Å; K80-C82 PolarHBondContact O-N 3Å
83	K	80	Confident	78.7	Confident	39 Å²	39	54.7 Å²	54.7	17%	0.17	30%	0.304	C	S	.	.	S	Bend	trans	-99.8	146.7	-175	-64	-172.1	-171.2	-169.2	0	110.5	Y50 H51 N52 F77 K80 R101	Y50-K83 HydrophobicContact CD1-CB 4.42Å; H51-K83 WeakPolarHBondContact O-CA 2.97Å; H51-K83 WeakPolarHBondContact O-CB 3.2Å; N52-K83 WeakPolarHBondContact OD1-CD 3.37Å; N52-K83 WeakPolarHBondContact OD1-CE 3.35Å; N52-K83 PolarHBondContact OD1-NZ 3.4Å; F77-K83 VanDerWaalsContact O-CE 3.28Å; F77-K83 WeakPolarHBondContact O-CE 3.3Å; F77-K83 PolarHBondContact O-NZ 3.22Å; F77-K83 VanDerWaalsContact O-NZ 3.11Å; K80-K83 WeakPolarHBondContact O-CB 3.05Å; K80-K83 PolarHBondContact O-N 3.29Å; K80-K83 VanDerWaalsContact O-N 3.14Å; K83-R101 WeakPolarHBondContact O-CD 3.12Å; K83-R101 PolarHBondContact O-NE 3.01Å
84	D	85.5	Confident	80.2	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.032	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	160.4	171.4	-69.5	-17.4	0	0	0	109.1	Y50 H51 G53 H100 R101	Y50-D84 WeakPolarHBondContact CA-O 3.27Å; H51-D84 PolarHBondContact N-O 2.97Å; H51-D84 VanDerWaalsContact NE2-CB 3.27Å; H51-D84 WeakPolarHBondContact NE2-CB 3.36Å; H51-D84 IonicContact NE2-OD2 3.38Å; H51-D84 PolarHBondContact O-N 3.11Å; G53-D84 VanDerWaalsContact CA-OD2 3.3Å; G53-D84 WeakPolarHBondContact CA-OD2 3.2Å; D84-H100 WeakPolarHBondContact OD1-CA 3.34Å; D84-H100 IonicContact OD2-CE1 2.73Å; D84-H100 IonicContact OD2-CG 3.39Å; D84-H100 IonicContact OD2-ND1 2.76Å; D84-H100 PolarHBondContact OD2-ND1 3.36Å; D84-R101 PolarHBondContact OD1-N 2.88Å
85	V	86	Confident	81.6	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.6	-166.3	-172.1	0	0	0	0	111.1	D30 L48 E49 Y50 S98 Y99	D30-V85 HydrophobicContact CB-CG2 4.11Å; L48-V85 HydrophobicContact CB-CG1 3.73Å; L48-V85 HydrophobicContact CD1-CG1 4.04Å; L48-V85 HydrophobicContact CD2-CG1 3.49Å; L48-V85 VanDerWaalsContact CD2-CG1 3.49Å; L48-V85 HydrophobicContact CG-CG1 3.92Å; E49-V85 CarbonylContact O-C 3.56Å; E49-V85 WeakPolarHBondContact O-CA 3.36Å; Y50-V85 HydrophobicContact CD1-CG2 3.77Å; Y50-V85 HydrophobicContact CE1-CG2 3.73Å; V85-S98 CarbonylContact O-C 3.59Å; V85-S98 WeakPolarHBondContact O-CA 3.38Å; V85-Y99 PolarHBondContact N-O 3.49Å; V85-Y99 PolarHBondContact O-N 3.48Å
86	D	90.9	Very high	82.5	Confident	28 Å²	28	57 Å²	57	15%	0.15	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.9	174.7	-62.5	-35	0	0	0	110.9	L48 E49 H51 Y95 S98	L48-D86 CarbonylContact C-O 3.56Å; L48-D86 WeakPolarHBondContact CA-O 3.25Å; E49-D86 HydrophobicContact CB-CB 4.36Å; E49-D86 PolarHBondContact N-O 3.09Å; E49-D86 PolarHBondContact O-N 3.12Å; H51-D86 VanDerWaalsContact CE1-CG 3.47Å; H51-D86 IonicContact CE1-OD1 3.16Å; H51-D86 PolarHBondContact CE1-OD1 2.86Å; H51-D86 IonicContact CE1-OD2 2.76Å; H51-D86 PolarHBondContact CE1-OD2 2.82Å; H51-D86 IonicContact CG-OD2 3.83Å; H51-D86 VanDerWaalsContact ND1-CG 3.27Å; H51-D86 IonicContact ND1-OD1 2.83Å; H51-D86 PolarHBondContact ND1-OD1 3.15Å; H51-D86 IonicContact ND1-OD2 2.61Å; H51-D86 PolarHBondContact ND1-OD2 3.34Å; D86-Y95 HydrophobicContact CB-CD2 4.43Å; D86-Y95 HydrophobicContact CB-CE2 4.19Å; D86-S98 WeakPolarHBondContact OD1-CB 3.37Å; D86-S98 PolarHBondContact OD1-OG 3.27Å
87	H	90.8	Very high	83.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	176.9	-67.5	-110	0	0	0	110.1	F28 K29 R31 T46 Q47 L48 I96 G97	F28-H87 HydrophobicContact CD1-CB 4.05Å; F28-H87 AromaticContact CD1-CD2 3.67Å; F28-H87 AromaticContact CD1-CE1 3.78Å; F28-H87 AromaticContact CD1-CG 3.53Å; F28-H87 AromaticContact CD1-ND1 3.62Å; F28-H87 AromaticContact CD1-NE2 3.82Å; F28-H87 HydrophobicContact CE1-CB 4.15Å; K29-H87 PolarHBondContact O-CE1 3.41Å; K29-H87 PolarHBondContact O-NE2 2.93Å; R31-H87 PolarHBondContact O-CE1 3.39Å; R31-H87 VanDerWaalsContact O-CE1 3.29Å; T46-H87 HydrophobicContact CG2-CB 3.97Å; T46-H87 PolarHBondContact OG1-ND1 3.03Å; Q47-H87 WeakPolarHBondContact O-CA 3.43Å; L48-H87 WeakPolarHBondContact CD2-CE1 3.33Å; L48-H87 WeakPolarHBondContact CD2-ND1 3.26Å; H87-I96 HydrophobicContact CB-CB 4.42Å; H87-I96 WeakPolarHBondContact O-CB 3.44Å; H87-I96 PolarHBondContact O-N 3.33Å; H87-G97 WeakPolarHBondContact CA-O 3.49Å; H87-G97 WeakPolarHBondContact CB-O 3.48Å; H87-G97 PolarHBondContact N-O 3.14Å
88	K	93.2	Very high	84.6	Confident	52 Å²	52	54.9 Å²	54.9	23%	0.226	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.3	175.2	-62	-173.4	-173	171.2	0	111.5	T46 Q47 E49 R94	T46-K88 CarbonylContact C-O 3.5Å; T46-K88 WeakPolarHBondContact CA-O 3.36Å; Q47-K88 PolarHBondContact N-O 3.45Å; Q47-K88 PolarHBondContact O-N 3.2Å; E49-K88 VanDerWaalsContact CD-CE 3.46Å; E49-K88 HydrophobicContact CG-CD 4.46Å; E49-K88 WeakPolarHBondContact OE1-CD 3.18Å; E49-K88 WeakPolarHBondContact OE1-CE 3.06Å; E49-K88 IonicContact OE1-NZ 3.79Å; E49-K88 PolarHBondContact OE1-NZ 2.99Å; E49-K88 VanDerWaalsContact OE2-CE 3.25Å; E49-K88 WeakPolarHBondContact OE2-CE 3.28Å; E49-K88 IonicContact OE2-NZ 2.85Å; E49-K88 PolarHBondContact OE2-NZ 3.47Å; K88-R94 WeakPolarHBondContact CA-O 3.5Å
89	C	93	Very high	85.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	27%	0.271	C	S	.	.			trans	-75.9	125.1	173.2	175.9	0	0	0	0	110.4	C37 I44 S91 C92 H93 R94 I96	C37-C89 HydrophobicContact CB-CB 4.47Å; I44-C89 HydrophobicContact CD1-CB 4.43Å; C89-S91 VanDerWaalsContact C-N 3.25Å; C89-S91 PolarHBondContact O-N 3.48Å; C89-S91 PolarHBondContact SG-N 3.33Å; C89-S91 VanDerWaalsContact SG-N 3.37Å; C89-C92 VanDerWaalsContact CB-SG 3.52Å; C89-C92 PolarHBondContact SG-N 3.01Å; C89-C92 VanDerWaalsContact SG-N 3.41Å; C89-C92 PolarHBondContact SG-SG 3.4Å; C89-H93 WeakPolarHBondContact O-CA 3.38Å; C89-H93 PolarHBondContact O-N 3.21Å; C89-R94 PolarHBondContact N-O 2.97Å; C89-I96 HydrophobicContact CB-CD1 4.13Å; C89-I96 HydrophobicContact CB-CG1 4.46Å
90	P	92.9	Very high	86.3	Confident	62 Å²	62	53.4 Å²	53.4	40%	0.403	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.7	177.3	30	-35.9	0	0	0	113.3	I44 S45	I44-P90 HydrophobicContact CB-CG 4.29Å; S45-P90 WeakPolarHBondContact O-CD 3.47Å; S45-P90 WeakPolarHBondContact O-CG 3.42Å
91	S	92.9	Very high	87	Confident	58 Å²	58	50 Å²	50	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-33.8	-179.7	179.6	0	0	0	0	113.3	K42 C89	K42-S91 PolarHBondContact NZ-OG 2.93Å; C89-S91 VanDerWaalsContact C-N 3.25Å; C89-S91 PolarHBondContact O-N 3.48Å; C89-S91 PolarHBondContact SG-N 3.33Å; C89-S91 VanDerWaalsContact SG-N 3.37Å
92	C	93.4	Very high	87.3	Confident	49 Å²	49	51.1 Å²	51.1	33%	0.331	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	1.7	-176.2	72.5	0	0	0	0	113.6	C40 C89 R94	C40-C92 HydrophobicContact CB-CB 4.31Å; C89-C92 VanDerWaalsContact CB-SG 3.52Å; C89-C92 PolarHBondContact SG-N 3.01Å; C89-C92 VanDerWaalsContact SG-N 3.41Å; C89-C92 PolarHBondContact SG-SG 3.4Å; C92-R94 PolarHBondContact O-N 3.03Å
93	H	92.7	Very high	87.3	Confident	140 Å²	140	52.6 Å²	52.6	65%	0.648	27%	0.269	S	S	*	.			trans	56.1	15.4	179.5	-56.2	90.6	0	0	0	115.1	C89	C89-H93 WeakPolarHBondContact O-CA 3.38Å; C89-H93 PolarHBondContact O-N 3.21Å
94	R	93.9	Very high	86.3	Confident	150 Å²	150	61.6 Å²	61.6	57%	0.566	32%	0.318	S	S	*	.			trans	-85.4	138.9	179.9	-163.2	176.9	-83	-171.2	-5.6	110.2	S39 K88 C89 C92	S39-R94 VanDerWaalsContact CB-CD 3.48Å; S39-R94 VanDerWaalsContact CB-NH1 3.31Å; S39-R94 WeakPolarHBondContact OG-CD 3.33Å; S39-R94 PolarHBondContact OG-NH1 3.41Å; K88-R94 WeakPolarHBondContact CA-O 3.5Å; C89-R94 PolarHBondContact N-O 2.97Å; C92-R94 PolarHBondContact O-N 3.03Å
95	Y	91.7	Very high	86.3	Confident	118 Å²	118	64.4 Å²	64.4	46%	0.463	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139.1	173.8	174.3	-95.8	0	0	0	111.5	D86 G97 S98	D86-Y95 HydrophobicContact CB-CD2 4.43Å; D86-Y95 HydrophobicContact CB-CE2 4.19Å; Y95-G97 VanDerWaalsContact CE2-C 3.44Å; Y95-G97 VanDerWaalsContact CE2-O 3.29Å; Y95-G97 WeakPolarHBondContact CE2-O 3.04Å; Y95-G97 VanDerWaalsContact CZ-CA 3.45Å; Y95-G97 WeakPolarHBondContact OH-CA 3.34Å; Y95-S98 WeakPolarHBondContact CE2-OG 3.34Å; Y95-S98 VanDerWaalsContact CZ-OG 3.24Å; Y95-S98 VanDerWaalsContact OH-CB 3.27Å; Y95-S98 WeakPolarHBondContact OH-CB 3.44Å; Y95-S98 PolarHBondContact OH-N 3.36Å; Y95-S98 PolarHBondContact OH-OG 3.17Å
96	I	90.3	Very high	86.3	Confident	34 Å²	34	67.7 Å²	67.7	17%	0.174	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-41.7	-176.6	-50	-65.9	0	0	0	110.6	F28 V35 C37 T46 H87 C89	F28-I96 HydrophobicContact CE1-CG2 4.05Å; F28-I96 HydrophobicContact CZ-CG2 3.67Å; V35-I96 HydrophobicContact CG2-CG2 4.28Å; C37-I96 HydrophobicContact CB-CD1 4.36Å; T46-I96 HydrophobicContact CG2-CG1 4.49Å; H87-I96 HydrophobicContact CB-CB 4.42Å; H87-I96 WeakPolarHBondContact O-CB 3.44Å; H87-I96 PolarHBondContact O-N 3.33Å; C89-I96 HydrophobicContact CB-CD1 4.13Å; C89-I96 HydrophobicContact CB-CG1 4.46Å
97	G	88.5	Confident	86.1	Confident	9 Å²	9	69.9 Å²	69.9	9%	0.093	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	167.3	-178.8	0	0	0	0	0	111.6	H87 Y95	H87-G97 WeakPolarHBondContact CA-O 3.49Å; H87-G97 WeakPolarHBondContact CB-O 3.48Å; H87-G97 PolarHBondContact N-O 3.14Å; Y95-G97 VanDerWaalsContact CE2-C 3.44Å; Y95-G97 VanDerWaalsContact CE2-O 3.29Å; Y95-G97 WeakPolarHBondContact CE2-O 3.04Å; Y95-G97 VanDerWaalsContact CZ-CA 3.45Å; Y95-G97 WeakPolarHBondContact OH-CA 3.34Å
98	S	86.3	Confident	85.8	Confident	30 Å²	30	74.1 Å²	74.1	21%	0.21	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153	175.9	-62.2	0	0	0	0	109.5	V85 D86 Y95	V85-S98 CarbonylContact O-C 3.59Å; V85-S98 WeakPolarHBondContact O-CA 3.38Å; D86-S98 WeakPolarHBondContact OD1-CB 3.37Å; D86-S98 PolarHBondContact OD1-OG 3.27Å; Y95-S98 WeakPolarHBondContact CE2-OG 3.34Å; Y95-S98 VanDerWaalsContact CZ-OG 3.24Å; Y95-S98 VanDerWaalsContact OH-CB 3.27Å; Y95-S98 WeakPolarHBondContact OH-CB 3.44Å; Y95-S98 PolarHBondContact OH-N 3.36Å; Y95-S98 PolarHBondContact OH-OG 3.17Å
99	Y	85.4	Confident	85.3	Confident	66 Å²	66	75.4 Å²	75.4	26%	0.259	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.2	167	174.5	-112.7	0	0	0	108.3	F28 D30 V85 R101	F28-Y99 WeakPolarHBondContact O-CD2 3.28Å; D30-Y99 HydrophobicContact CB-CD1 4.15Å; D30-Y99 HydrophobicContact CB-CE1 4.12Å; V85-Y99 PolarHBondContact N-O 3.49Å; V85-Y99 PolarHBondContact O-N 3.48Å; Y99-R101 HydrophobicContact CD1-CG 4.27Å; Y99-R101 HydrophobicContact CE1-CG 3.72Å
100	H	82.9	Confident	84.8	Confident	64 Å²	64	80.4 Å²	80.4	30%	0.296	42%	0.418	S	S	.	.			trans	-89.1	128.4	171	-64	-72.5	0	0	0	108.7	H51 D84 I102 G103	H51-H100 AromaticContact NE2-CE1 3.75Å; D84-H100 WeakPolarHBondContact OD1-CA 3.34Å; D84-H100 IonicContact OD2-CE1 2.73Å; D84-H100 IonicContact OD2-CG 3.39Å; D84-H100 IonicContact OD2-ND1 2.76Å; D84-H100 PolarHBondContact OD2-ND1 3.36Å; H100-I102 VanDerWaalsContact C-N 3.3Å; H100-G103 WeakPolarHBondContact CB-O 3.26Å
101	R	79.1	Confident	84.3	Confident	66 Å²	66	81.7 Å²	81.7	25%	0.249	42%	0.419	C	S	.	.	S	Bend	trans	-76.4	-24.9	179.1	-67.5	-178.2	-179.7	-90.8	7.4	112.1	D30 L55 A81 K83 D84 Y99	D30-R101 IonicContact OD2-CZ 3.09Å; D30-R101 IonicContact OD2-NH1 2.8Å; D30-R101 PolarHBondContact OD2-NH1 3.2Å; D30-R101 VanDerWaalsContact OD2-NH1 3.16Å; D30-R101 IonicContact OD2-NH2 3.86Å; D30-R101 PolarHBondContact OD2-NH2 3.27Å; L55-R101 HydrophobicContact CD2-CB 3.9Å; A81-R101 WeakPolarHBondContact O-CD 3.27Å; A81-R101 PolarHBondContact O-NE 3.3Å; K83-R101 WeakPolarHBondContact O-CD 3.12Å; K83-R101 PolarHBondContact O-NE 3.01Å; D84-R101 PolarHBondContact OD1-N 2.88Å; Y99-R101 HydrophobicContact CD1-CG 4.27Å; Y99-R101 HydrophobicContact CE1-CG 3.72Å
102	I	76.2	Confident	83.6	Confident	79 Å²	79	83.5 Å²	83.5	41%	0.405	42%	0.42	S	S	.	.	S	Bend	trans	-140.4	123.6	177.1	-62.3	-172.8	0	0	0	107.8	L54 L55 H100	L54-I102 HydrophobicContact CD2-CG2 3.93Å; L55-I102 HydrophobicContact CB-CD1 3.81Å; L55-I102 HydrophobicContact CB-CG1 4.07Å; L55-I102 HydrophobicContact CD1-CD1 3.56Å; L55-I102 HydrophobicContact CD1-CG1 4.43Å; L55-I102 HydrophobicContact CG-CD1 4.15Å; H100-I102 VanDerWaalsContact C-N 3.3Å
103	G	68.5	Low	82.8	Confident	54 Å²	54	86.4 Å²	86.4	56%	0.557	43%	0.428	S	S	*	.			trans	93.1	151.1	-173.6	0	0	0	0	0	111.8	H100	H100-G103 WeakPolarHBondContact CB-O 3.26Å
104	D	58	Low	81.9	Confident	227 Å²	227	81.5 Å²	81.5	100%	1.214	41%	0.408	S	S	*	.			trans	-79.9	0	179.3	-66.9	-61.7	0	0	0	112.8

Retrieved 104 of 104 residues in 73.5 ms (Link to these results)

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