A0A913KUR2_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KUR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 aa.

						>A0A913KUR2_SCHMA|A0A913KUR2
MKSEYLFSIYAKYWALSRGNVIPRSIETIFGWWKLAKAKSESVRPLVISEVAAFIVVDFVNPSLQNRLIIQDVLNMRHRVCSQTNFQETNMYICMNGMRVIVKSGDKNFLFDGILH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	33.5	Very low	36.1	Very low	218 Å²	218	114.5 Å²	114.5	100%	1.074	57%	0.571	S	S	*	*				0	108.5	0	-167.9	177.5	165.4	0	0	106.7	S3	M1-S3 PolarHBondContact O-N 2.65Å
2	K	30	Very low	35.9	Very low	185 Å²	185	121 Å²	121	80%	0.804	59%	0.593	S	S	*	*			trans	-76.5	118.3	-178.2	-75.9	-178.6	177.3	-179.7	0	108.8
3	S	33.7	Very low	35.5	Very low	45 Å²	45	125.5 Å²	125.5	32%	0.315	60%	0.602	S	S	.	*			trans	-104.8	123.1	170.2	40.9	0	0	0	0	108.7	M1	M1-S3 PolarHBondContact O-N 2.65Å
4	E	38.1	Very low	35.9	Very low	74 Å²	74	127.6 Å²	127.6	35%	0.346	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.5	156	170	-70.3	155.6	148.1	0	0	109.1	G19 V21	E4-G19 CarbonylContact C-O 3.6Å; E4-G19 VanDerWaalsContact C-O 3.25Å; E4-G19 WeakPolarHBondContact CB-O 3.21Å; E4-G19 CarbonylContact O-C 3.36Å; E4-G19 PolarHBondContact O-N 3.11Å; E4-V21 HydrophobicContact CB-CB 4.38Å; E4-V21 HydrophobicContact CB-CG2 4.11Å; E4-V21 VanDerWaalsContact OE2-C 3.27Å; E4-V21 WeakPolarHBondContact OE2-CA 3.48Å; E4-V21 WeakPolarHBondContact OE2-CB 3.38Å; E4-V21 PolarHBondContact OE2-N 3.09Å
5	Y	41.4	Very low	35.9	Very low	118 Å²	118	122.4 Å²	122.4	46%	0.463	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	-178.7	-61.8	-95.1	0	0	0	109.1	L16 S17 R18	Y5-L16 HydrophobicContact CD1-CD1 3.95Å; Y5-L16 HydrophobicContact CD1-CD2 3.95Å; Y5-L16 HydrophobicContact CD1-CG 3.81Å; Y5-L16 HydrophobicContact CE1-CD2 4.24Å; Y5-L16 HydrophobicContact CG-CD1 3.95Å; Y5-L16 HydrophobicContact CG-CG 4.34Å; Y5-S17 CarbonylContact C-O 3.48Å; Y5-S17 WeakPolarHBondContact CA-O 3.36Å; Y5-S17 WeakPolarHBondContact CB-O 3.13Å; Y5-R18 HydrophobicContact CD1-CB 4.05Å; Y5-R18 HydrophobicContact CD1-CG 4.38Å; Y5-R18 HydrophobicContact CE1-CB 4.06Å; Y5-R18 HydrophobicContact CE1-CG 4.17Å
6	L	35.8	Very low	36.2	Very low	95 Å²	95	120.5 Å²	120.5	50%	0.497	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	126	173.2	-70.7	166.6	0	0	0	108.5	S17 V21	L6-S17 WeakPolarHBondContact CB-OG 3.39Å; L6-S17 PolarHBondContact N-O 3.34Å; L6-S17 PolarHBondContact O-N 3.32Å; L6-S17 PolarHBondContact O-OG 2.77Å; L6-V21 HydrophobicContact CD2-CG2 4.29Å
7	F	40.4	Very low	36.5	Very low	96 Å²	96	116.5 Å²	116.5	42%	0.421	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	129.6	171.2	-73.8	-93.9	0	0	0	109.6	A15 L16	F7-A15 WeakPolarHBondContact CA-O 3.13Å; F7-L16 HydrophobicContact CD1-CD1 4.21Å; F7-L16 HydrophobicContact CD2-CD1 4.25Å; F7-L16 HydrophobicContact CE1-CB 4.42Å; F7-L16 HydrophobicContact CE1-CD1 3.59Å; F7-L16 HydrophobicContact CE2-CD1 3.62Å; F7-L16 HydrophobicContact CZ-CD1 3.27Å
8	S	36.3	Very low	36.7	Very low	49 Å²	49	118.8 Å²	118.8	34%	0.343	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	134.6	170.1	-166.8	0	0	0	0	109.7	Y10 A15	S8-Y10 WeakPolarHBondContact OG-CE2 3.49Å; S8-A15 PolarHBondContact N-O 3.04Å; S8-A15 VanDerWaalsContact N-O 3.16Å; S8-A15 PolarHBondContact O-N 3.37Å; S8-A15 VanDerWaalsContact O-N 3.16Å
9	I	38.5	Very low	36.9	Very low	117 Å²	117	113.2 Å²	113.2	60%	0.6	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	121	172.4	-59	173.6	0	0	0	107.5	W14	I9-W14 HydrophobicContact CD1-CH2 3.78Å; I9-W14 HydrophobicContact CD1-CZ3 3.64Å; I9-W14 HydrophobicContact CG1-CE3 3.86Å; I9-W14 HydrophobicContact CG1-CH2 3.97Å; I9-W14 HydrophobicContact CG1-CZ3 3.41Å; I9-W14 VanDerWaalsContact CG1-CZ3 3.41Å
10	Y	33	Very low	36.8	Very low	172 Å²	172	115 Å²	115	68%	0.675	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.6	111.5	168.8	-91.2	-86.3	0	0	0	109.9	S8 K12 Y13	S8-Y10 WeakPolarHBondContact OG-CE2 3.49Å; Y10-K12 PolarHBondContact O-N 3.05Å; Y10-Y13 PolarHBondContact N-O 3.32Å; Y10-Y13 VanDerWaalsContact N-O 3.16Å; Y10-Y13 PolarHBondContact O-N 2.74Å
11	A	36.2	Very low	36.9	Very low	90 Å²	90	112.9 Å²	112.9	74%	0.744	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.6	28	159	0	0	0	0	0	117.8
12	K	33.9	Very low	37.1	Very low	193 Å²	193	109.6 Å²	109.6	84%	0.839	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.1	-3.4	-179.8	-66.2	167.3	-177.5	-172.1	0	115.6	Y10	Y10-K12 PolarHBondContact O-N 3.05Å
13	Y	31.1	Very low	37.5	Very low	180 Å²	180	106.4 Å²	106.4	71%	0.706	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.3	-178.5	-57.1	-81.4	0	0	0	112.6	Y10	Y10-Y13 PolarHBondContact N-O 3.32Å; Y10-Y13 VanDerWaalsContact N-O 3.16Å; Y10-Y13 PolarHBondContact O-N 2.74Å
14	W	41.5	Very low	37.5	Very low	154 Å²	154	114 Å²	114	58%	0.583	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100	117.9	172.5	-58.3	96.9	0	0	0	109.4	I9	I9-W14 HydrophobicContact CD1-CH2 3.78Å; I9-W14 HydrophobicContact CD1-CZ3 3.64Å; I9-W14 HydrophobicContact CG1-CE3 3.86Å; I9-W14 HydrophobicContact CG1-CH2 3.97Å; I9-W14 HydrophobicContact CG1-CZ3 3.41Å; I9-W14 VanDerWaalsContact CG1-CZ3 3.41Å
15	A	35.2	Very low	37.3	Very low	50 Å²	50	114.1 Å²	114.1	41%	0.413	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	124.4	171.3	0	0	0	0	0	109.8	F7 S8	F7-A15 WeakPolarHBondContact CA-O 3.13Å; S8-A15 PolarHBondContact N-O 3.04Å; S8-A15 VanDerWaalsContact N-O 3.16Å; S8-A15 PolarHBondContact O-N 3.37Å; S8-A15 VanDerWaalsContact O-N 3.16Å
16	L	40.6	Very low	37.1	Very low	92 Å²	92	113.2 Å²	113.2	48%	0.482	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	114.3	170	-176.6	76.6	0	0	0	108.5	Y5 F7	Y5-L16 HydrophobicContact CD1-CD1 3.95Å; Y5-L16 HydrophobicContact CD1-CD2 3.95Å; Y5-L16 HydrophobicContact CD1-CG 3.81Å; Y5-L16 HydrophobicContact CE1-CD2 4.24Å; Y5-L16 HydrophobicContact CG-CD1 3.95Å; Y5-L16 HydrophobicContact CG-CG 4.34Å; F7-L16 HydrophobicContact CD1-CD1 4.21Å; F7-L16 HydrophobicContact CD2-CD1 4.25Å; F7-L16 HydrophobicContact CE1-CB 4.42Å; F7-L16 HydrophobicContact CE1-CD1 3.59Å; F7-L16 HydrophobicContact CE2-CD1 3.62Å; F7-L16 HydrophobicContact CZ-CD1 3.27Å
17	S	40.8	Very low	37.3	Very low	53 Å²	53	115.4 Å²	115.4	37%	0.371	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	172.5	62.9	0	0	0	0	110.1	Y5 L6	Y5-S17 CarbonylContact C-O 3.48Å; Y5-S17 WeakPolarHBondContact CA-O 3.36Å; Y5-S17 WeakPolarHBondContact CB-O 3.13Å; L6-S17 WeakPolarHBondContact CB-OG 3.39Å; L6-S17 PolarHBondContact N-O 3.34Å; L6-S17 PolarHBondContact O-N 3.32Å; L6-S17 PolarHBondContact O-OG 2.77Å
18	R	41.6	Very low	37.3	Very low	157 Å²	157	116.2 Å²	116.2	59%	0.592	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.2	119.6	175.4	-171.5	-179.3	179.7	-178.4	3.4	108	Y5	Y5-R18 HydrophobicContact CD1-CB 4.05Å; Y5-R18 HydrophobicContact CD1-CG 4.38Å; Y5-R18 HydrophobicContact CE1-CB 4.06Å; Y5-R18 HydrophobicContact CE1-CG 4.17Å
19	G	39.8	Very low	37.4	Very low	12 Å²	12	116.5 Å²	116.5	12%	0.124	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.8	134.4	-178.8	0	0	0	0	0	111	E4 V21	E4-G19 CarbonylContact C-O 3.6Å; E4-G19 VanDerWaalsContact C-O 3.25Å; E4-G19 WeakPolarHBondContact CB-O 3.21Å; E4-G19 CarbonylContact O-C 3.36Å; E4-G19 PolarHBondContact O-N 3.11Å; G19-V21 PolarHBondContact O-N 3.37Å
20	N	34.6	Very low	37.5	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	59%	0.594	S	S	*	*			trans	-75.8	110.6	171.1	-69.9	-26	0	0	0	108.5
21	V	39.2	Very low	38.1	Very low	71 Å²	71	112.7 Å²	112.7	43%	0.43	58%	0.582	S	S	.	*			trans	-102.3	120.4	174.6	-171	0	0	0	0	108.5	E4 L6 G19 P23	E4-V21 HydrophobicContact CB-CB 4.38Å; E4-V21 HydrophobicContact CB-CG2 4.11Å; E4-V21 VanDerWaalsContact OE2-C 3.27Å; E4-V21 WeakPolarHBondContact OE2-CA 3.48Å; E4-V21 WeakPolarHBondContact OE2-CB 3.38Å; E4-V21 PolarHBondContact OE2-N 3.09Å; L6-V21 HydrophobicContact CD2-CG2 4.29Å; G19-V21 PolarHBondContact O-N 3.37Å; V21-P23 WeakPolarHBondContact O-CD 3.44Å
22	I	36.9	Very low	38.6	Very low	150 Å²	150	111.8 Å²	111.8	77%	0.769	56%	0.559	S	S	*	*			trans	-74.3	123	174.6	-62	169.3	0	0	0	106.8	R24	I22-R24 PolarHBondContact O-N 3.08Å
23	P	38.7	Very low	39.1	Very low	117 Å²	117	113 Å²	113	76%	0.76	56%	0.559	S	S	*	*			trans	-65.6	102.1	179	24.7	-31.6	0	0	0	109.2	V21	V21-P23 WeakPolarHBondContact O-CD 3.44Å
24	R	34.2	Very low	40.1	Very low	205 Å²	205	111.6 Å²	111.6	77%	0.774	56%	0.556	S	S	*	*			trans	-85.4	127.4	171.1	-161.7	177.9	-89.1	-156.1	-3.7	108.1	I22 I26 I29	I22-R24 PolarHBondContact O-N 3.08Å; R24-I26 PolarHBondContact O-N 2.95Å; R24-I29 HydrophobicContact CG-CD1 4.01Å
25	S	32.8	Very low	40.9	Very low	77 Å²	77	104.9 Å²	104.9	54%	0.538	53%	0.532	S	S	.	.			trans	-47.6	132.9	-179.4	-177.7	0	0	0	0	112.1	E27	S25-E27 PolarHBondContact O-N 2.71Å; S25-E27 VanDerWaalsContact O-N 3.12Å
26	I	39.1	Very low	42	Very low	99 Å²	99	105.5 Å²	105.5	51%	0.508	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-64.5	-14.5	-171.7	-74.5	157.1	0	0	0	113	R24 T28 W32 Q83	R24-I26 PolarHBondContact O-N 2.95Å; I26-T28 VanDerWaalsContact C-N 3.35Å; I26-T28 PolarHBondContact O-N 3.39Å; I26-W32 HydrophobicContact CG2-CZ3 4.18Å; I26-Q83 HydrophobicContact CD1-CG 4.28Å
27	E	39.4	Very low	42.9	Very low	140 Å²	140	108.9 Å²	108.9	65%	0.654	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-79.7	-12.1	-169.9	-62.1	-170.2	160.4	0	0	114.4	S25 W33	S25-E27 PolarHBondContact O-N 2.71Å; S25-E27 VanDerWaalsContact O-N 3.12Å; E27-W33 WeakPolarHBondContact O-CZ2 3.45Å; E27-W33 PolarHBondContact O-NE1 3.1Å
28	T	39.7	Very low	43.7	Very low	113 Å²	113	109.9 Å²	109.9	69%	0.693	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-109.3	0.5	-163.2	-27.8	0	0	0	0	115.3	I26	I26-T28 VanDerWaalsContact C-N 3.35Å; I26-T28 PolarHBondContact O-N 3.39Å
29	I	38.1	Very low	44.6	Very low	55 Å²	55	105.7 Å²	105.7	28%	0.282	55%	0.545	S	S	.	.	S	Bend	trans	-139.4	101.6	-155.8	-55.7	-176.8	0	0	0	112.7	R24 R79	R24-I29 HydrophobicContact CG-CD1 4.01Å; I29-R79 PolarHBondContact O-NH1 3.45Å
30	F	41.4	Very low	45.8	Very low	168 Å²	168	106.8 Å²	106.8	74%	0.737	55%	0.551	S	S	*	*	S	Bend	trans	73.5	121	163	-68.8	-79.7	0	0	0	120.8	W32	F30-W32 VanDerWaalsContact C-N 3.3Å; F30-W32 PolarHBondContact O-N 3.16Å
31	G	45.8	Very low	47.3	Very low	41 Å²	41	105.3 Å²	105.3	42%	0.423	54%	0.539	S	S	.	.	S	Bend	trans	75.9	-43.7	150.8	0	0	0	0	0	118.1	W33 K34	G31-W33 PolarHBondContact O-N 3.45Å; G31-W33 VanDerWaalsContact O-N 3.16Å; G31-K34 WeakPolarHBondContact O-CB 3.16Å; G31-K34 PolarHBondContact O-N 2.92Å
32	W	46	Very low	48.6	Very low	72 Å²	72	105.4 Å²	105.4	27%	0.273	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-63.1	-25.5	-176.1	-66.3	-22.9	0	0	0	113.5	I26 F30 L35 M76 R79	I26-W32 HydrophobicContact CG2-CZ3 4.18Å; F30-W32 VanDerWaalsContact C-N 3.3Å; F30-W32 PolarHBondContact O-N 3.16Å; W32-L35 PolarHBondContact O-N 2.94Å; W32-M76 HydrophobicContact CZ2-CB 4.04Å; W32-M76 HydrophobicContact CZ2-CG 4.15Å; W32-M76 PolarHBondContact NE1-SD 3.01Å; W32-R79 HydrophobicContact CH2-CB 4.34Å
33	W	43.9	Very low	50.2	Low	218 Å²	218	98.5 Å²	98.5	83%	0.826	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-80.4	-19.3	174.7	-69.2	31.7	0	0	0	113.4	E27 G31 L35	E27-W33 WeakPolarHBondContact O-CZ2 3.45Å; E27-W33 PolarHBondContact O-NE1 3.1Å; G31-W33 PolarHBondContact O-N 3.45Å; G31-W33 VanDerWaalsContact O-N 3.16Å; W33-L35 PolarHBondContact O-N 3.44Å
34	K	52.4	Low	51.7	Low	151 Å²	151	100.3 Å²	100.3	66%	0.657	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-72.7	-14.6	171.3	-81.4	-170	177.6	-175.8	0	112	G31 N66	G31-K34 WeakPolarHBondContact O-CB 3.16Å; G31-K34 PolarHBondContact O-N 2.92Å; K34-N66 PolarHBondContact O-ND2 3.05Å; K34-N66 VanDerWaalsContact O-ND2 3.16Å
35	L	58.1	Low	53.5	Low	13 Å²	13	94.6 Å²	94.6	7%	0.068	49%	0.489	C	S	.	.	S	Bend	trans	-99.1	126.2	168.5	-54.4	-173.8	0	0	0	106.9	W32 W33 K37 K39 L64	W32-L35 PolarHBondContact O-N 2.94Å; W33-L35 PolarHBondContact O-N 3.44Å; L35-K37 PolarHBondContact O-N 3.35Å; L35-K39 HydrophobicContact CB-CB 4.46Å; L35-L64 HydrophobicContact CD1-CD1 4.21Å; L35-L64 HydrophobicContact CD1-CD2 4.38Å; L35-L64 HydrophobicContact CD2-CB 4.44Å; L35-L64 HydrophobicContact CD2-CD1 3.53Å; L35-L64 HydrophobicContact CD2-CD2 3.54Å; L35-L64 HydrophobicContact CD2-CG 3.98Å; L35-L64 HydrophobicContact CG-CD2 4.47Å
36	A	58.3	Low	55.3	Low	63 Å²	63	93 Å²	93	52%	0.521	47%	0.474	S	S	.	.			trans	-50.1	139.8	172.1	0	0	0	0	0	109.3	A38 K39 S40	A36-A38 PolarHBondContact O-N 2.89Å; A36-K39 HydrophobicContact CB-CG 4.47Å; A36-K39 WeakPolarHBondContact O-CA 3.43Å; A36-K39 WeakPolarHBondContact O-CB 3.47Å; A36-K39 PolarHBondContact O-N 3.26Å; A36-S40 PolarHBondContact O-N 3.04Å
37	K	59.2	Low	56.7	Low	162 Å²	162	88.4 Å²	88.4	70%	0.704	45%	0.451	S	S	*	.	H	α-helix	trans	-45.2	-44.7	-174.2	-175.2	179	177.1	-177.8	0	113.2	L35 K39 S40 E41	L35-K37 PolarHBondContact O-N 3.35Å; K37-K39 VanDerWaalsContact C-N 3.3Å; K37-K39 PolarHBondContact O-N 2.95Å; K37-S40 WeakPolarHBondContact O-CB 3.09Å; K37-S40 PolarHBondContact O-N 2.9Å; K37-S40 VanDerWaalsContact O-N 3.09Å; K37-S40 PolarHBondContact O-OG 3.42Å; K37-E41 PolarHBondContact O-N 2.94Å; K37-E41 VanDerWaalsContact O-N 3.11Å
38	A	57.7	Low	58	Low	74 Å²	74	85 Å²	85	61%	0.612	44%	0.436	S	S	*	.	H	α-helix	trans	-57.8	-37.8	175.9	0	0	0	0	0	113.8	A36 S42	A36-A38 PolarHBondContact O-N 2.89Å; A38-S42 PolarHBondContact O-N 2.87Å
39	K	61.5	Low	59.4	Low	70 Å²	70	81.4 Å²	81.4	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-75.8	-32.5	175.9	-62.3	-172.1	178.9	-171	0	112	L35 A36 K37 E41 S42 V43 S63 L64	L35-K39 HydrophobicContact CB-CB 4.46Å; A36-K39 HydrophobicContact CB-CG 4.47Å; A36-K39 WeakPolarHBondContact O-CA 3.43Å; A36-K39 WeakPolarHBondContact O-CB 3.47Å; A36-K39 PolarHBondContact O-N 3.26Å; K37-K39 VanDerWaalsContact C-N 3.3Å; K37-K39 PolarHBondContact O-N 2.95Å; K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 3.14Å; K39-S42 PolarHBondContact O-N 2.75Å; K39-S42 PolarHBondContact O-OG 3.38Å; K39-V43 WeakPolarHBondContact O-CB 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.13Å; K39-V43 PolarHBondContact O-N 3.45Å; K39-S63 PolarHBondContact NZ-O 3.16Å; K39-L64 HydrophobicContact CB-CD2 4.4Å; K39-L64 HydrophobicContact CD-CD2 4Å
40	S	64.8	Low	60.9	Low	35 Å²	35	85.9 Å²	85.9	25%	0.245	44%	0.435	C	S	.	.	H	α-helix	trans	-63.7	-37.3	174.9	77.1	0	0	0	0	111.5	A36 K37 V43 R44	A36-S40 PolarHBondContact O-N 3.04Å; K37-S40 WeakPolarHBondContact O-CB 3.09Å; K37-S40 PolarHBondContact O-N 2.9Å; K37-S40 VanDerWaalsContact O-N 3.09Å; K37-S40 PolarHBondContact O-OG 3.42Å; S40-V43 PolarHBondContact O-N 3.16Å; S40-R44 WeakPolarHBondContact O-CB 3.47Å; S40-R44 PolarHBondContact O-N 2.95Å
41	E	65.5	Low	62.3	Low	118 Å²	118	80.3 Å²	80.3	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-69.5	-35.6	176.9	-71.5	173.3	-175.3	0	0	112.1	K37 K39 P45	K37-E41 PolarHBondContact O-N 2.94Å; K37-E41 VanDerWaalsContact O-N 3.11Å; K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 3.14Å; E41-P45 WeakPolarHBondContact O-CD 3.16Å
42	S	67.5	Low	63.8	Low	73 Å²	73	79.9 Å²	79.9	51%	0.51	41%	0.408	S	S	.	.	H	α-helix	trans	-73.1	-30.3	175.6	70.2	0	0	0	0	113.4	A38 K39	A38-S42 PolarHBondContact O-N 2.87Å; K39-S42 PolarHBondContact O-N 2.75Å; K39-S42 PolarHBondContact O-OG 3.38Å
43	V	70.1	Confident	65.4	Low	5 Å²	5	77 Å²	77	3%	0.03	40%	0.4	C	S	.	.	H	α-helix	trans	-81.9	-27.7	179	175	0	0	0	0	111.7	K39 S40 L46 V47 V60	K39-V43 WeakPolarHBondContact O-CB 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.13Å; K39-V43 PolarHBondContact O-N 3.45Å; S40-V43 PolarHBondContact O-N 3.16Å; V43-L46 WeakPolarHBondContact O-CB 3.48Å; V43-L46 PolarHBondContact O-N 2.93Å; V43-V47 HydrophobicContact CG1-CG2 3.7Å; V43-V47 WeakPolarHBondContact O-CG2 3.03Å; V43-V47 PolarHBondContact O-N 3.36Å; V43-V60 HydrophobicContact CG1-CG1 4.46Å; V43-V60 HydrophobicContact CG1-CG2 4.25Å; V43-V60 HydrophobicContact CG2-CB 4.4Å; V43-V60 HydrophobicContact CG2-CG1 3.53Å; V43-V60 HydrophobicContact CG2-CG2 3.87Å
44	R	70.5	Confident	67.2	Low	155 Å²	155	72.7 Å²	72.7	59%	0.585	39%	0.387	S	S	*	.	H	α-helix	trans	-54.5	-46.1	-177.1	-177.4	173.5	-174.8	-105.8	2.5	113.7	S40 L46 V47 I48	S40-R44 WeakPolarHBondContact O-CB 3.47Å; S40-R44 PolarHBondContact O-N 2.95Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 3.27Å; R44-V47 PolarHBondContact O-N 3.34Å; R44-I48 HydrophobicContact CG-CD1 3.66Å; R44-I48 HydrophobicContact CG-CG1 4.35Å; R44-I48 WeakPolarHBondContact O-CG1 3.39Å; R44-I48 PolarHBondContact O-N 3.14Å
45	P	71.3	Confident	68.5	Low	84 Å²	84	69.4 Å²	69.4	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-58.6	-38.3	175	-24.9	33.5	0	0	0	113.7	E41 I48 S49	E41-P45 WeakPolarHBondContact O-CD 3.16Å; P45-I48 PolarHBondContact O-N 2.95Å; P45-S49 WeakPolarHBondContact O-CB 3.4Å; P45-S49 PolarHBondContact O-N 3.26Å
46	L	71	Confident	69.6	Low	43 Å²	43	68.8 Å²	68.8	23%	0.225	37%	0.372	C	S	.	.	H	α-helix	trans	-72.4	-33.8	179.2	-61.2	172.4	0	0	0	112.4	V43 R44 S49 V56 F59 V60 R77	V43-L46 WeakPolarHBondContact O-CB 3.48Å; V43-L46 PolarHBondContact O-N 2.93Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 3.27Å; L46-S49 PolarHBondContact O-OG 3.24Å; L46-V56 HydrophobicContact CB-CG1 4.08Å; L46-V56 HydrophobicContact CB-CG2 4.28Å; L46-V56 WeakPolarHBondContact O-CG2 3.2Å; L46-F59 HydrophobicContact CD1-CD1 3.37Å; L46-F59 HydrophobicContact CD1-CE1 3.58Å; L46-F59 HydrophobicContact CD1-CG 4.41Å; L46-V60 HydrophobicContact CD1-CG2 3.78Å; L46-R77 PolarHBondContact O-NH2 3.23Å
47	V	69	Low	70.8	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-43.2	172.6	171.1	0	0	0	0	109.6	V43 R44 S49 M76 R77	V43-V47 HydrophobicContact CG1-CG2 3.7Å; V43-V47 WeakPolarHBondContact O-CG2 3.03Å; V43-V47 PolarHBondContact O-N 3.36Å; R44-V47 PolarHBondContact O-N 3.34Å; V47-S49 VanDerWaalsContact C-N 3.33Å; V47-S49 PolarHBondContact O-N 3.47Å; V47-M76 HydrophobicContact CG1-CB 3.54Å; V47-M76 HydrophobicContact CG2-CB 4.41Å; V47-M76 HydrophobicContact CG2-SD 3.8Å; V47-R77 HydrophobicContact CG1-CG 3.71Å; V47-R77 WeakPolarHBondContact O-CD 3.42Å; V47-R77 WeakPolarHBondContact O-CG 3.48Å; V47-R77 PolarHBondContact O-NE 3.05Å
48	I	66.1	Low	72	Confident	68 Å²	68	65 Å²	65	35%	0.349	35%	0.352	S	S	.	.	H	α-helix	trans	-74.5	-23.6	-178	-61.5	173.3	0	0	0	112.4	R44 P45 V80	R44-I48 HydrophobicContact CG-CD1 3.66Å; R44-I48 HydrophobicContact CG-CG1 4.35Å; R44-I48 WeakPolarHBondContact O-CG1 3.39Å; R44-I48 PolarHBondContact O-N 3.14Å; P45-I48 PolarHBondContact O-N 2.95Å; I48-V80 HydrophobicContact CD1-CG1 4.29Å; I48-V80 HydrophobicContact CG1-CG1 3.9Å; I48-V80 HydrophobicContact CG1-CG2 4.26Å
49	S	69.6	Low	73.3	Confident	37 Å²	37	68.3 Å²	68.3	26%	0.259	35%	0.352	S	S	.	.	S	Bend	trans	-70.9	161.1	179.3	72	0	0	0	0	112.8	P45 L46 V47 V51 R77	P45-S49 WeakPolarHBondContact O-CB 3.4Å; P45-S49 PolarHBondContact O-N 3.26Å; L46-S49 PolarHBondContact O-OG 3.24Å; V47-S49 VanDerWaalsContact C-N 3.33Å; V47-S49 PolarHBondContact O-N 3.47Å; S49-V51 PolarHBondContact O-N 3.14Å; S49-V51 VanDerWaalsContact O-N 3.14Å; S49-V51 WeakPolarHBondContact OG-CB 3.31Å; S49-V51 WeakPolarHBondContact OG-CG2 3.37Å; S49-V51 PolarHBondContact OG-N 3.34Å; S49-R77 PolarHBondContact O-NH2 3.41Å
50	E	69.6	Low	74.3	Confident	149 Å²	149	65 Å²	65	70%	0.696	34%	0.338	S	S	*	.	S	Bend	trans	-75.4	10.8	174.1	-63	-179.6	174.5	0	0	113	M98	E50-M98 HydrophobicContact CB-CE 4.15Å; E50-M98 HydrophobicContact CG-CG 4.45Å; E50-M98 WeakPolarHBondContact O-CE 3.38Å
51	V	71.3	Confident	75.1	Confident	51 Å²	51	65.2 Å²	65.2	31%	0.309	34%	0.337	S	S	.	.	S	Bend	trans	-62	143.6	177	173.4	0	0	0	0	109.4	S49 I55 V56 R77	S49-V51 PolarHBondContact O-N 3.14Å; S49-V51 VanDerWaalsContact O-N 3.14Å; S49-V51 WeakPolarHBondContact OG-CB 3.31Å; S49-V51 WeakPolarHBondContact OG-CG2 3.37Å; S49-V51 PolarHBondContact OG-N 3.34Å; V51-I55 HydrophobicContact CG1-CB 3.57Å; V51-I55 HydrophobicContact CG1-CD1 4.27Å; V51-I55 HydrophobicContact CG1-CG1 4.47Å; V51-I55 HydrophobicContact CG1-CG2 3.53Å; V51-V56 HydrophobicContact CB-CG2 4.26Å; V51-V56 HydrophobicContact CG1-CG2 3.94Å; V51-R77 PolarHBondContact O-NH1 2.93Å; V51-R77 PolarHBondContact O-NH2 2.95Å
52	A	77.1	Confident	76.1	Confident	33 Å²	33	65 Å²	65	27%	0.273	35%	0.345	S	S	.	.			trans	-64.6	142.5	178.5	0	0	0	0	0	111.3	F54 I55 V56	A52-F54 HydrophobicContact CB-CD1 3.54Å; A52-F54 HydrophobicContact CB-CE1 3.18Å; A52-F54 HydrophobicContact CB-CG 4.45Å; A52-F54 HydrophobicContact CB-CZ 3.85Å; A52-F54 PolarHBondContact O-N 3.33Å; A52-F54 VanDerWaalsContact O-N 3.17Å; A52-I55 HydrophobicContact CB-CD1 3.98Å; A52-I55 HydrophobicContact CB-CG1 4.11Å; A52-I55 WeakPolarHBondContact O-CB 3.33Å; A52-I55 PolarHBondContact O-N 2.87Å; A52-V56 PolarHBondContact O-N 3.47Å; A52-V56 VanDerWaalsContact O-N 3.14Å
53	A	79.3	Confident	76.7	Confident	12 Å²	12	64.5 Å²	64.5	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-33.3	-174.4	0	0	0	0	0	113.1	I55 V56 V57 I70 V73 L74	A53-I55 VanDerWaalsContact C-N 3.34Å; A53-V56 PolarHBondContact O-N 3.33Å; A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.18Å; A53-V57 PolarHBondContact O-N 2.99Å; A53-I70 HydrophobicContact CB-CG2 3.92Å; A53-V73 HydrophobicContact CB-CB 4.13Å; A53-V73 HydrophobicContact CB-CG1 3.85Å; A53-L74 HydrophobicContact CB-CD2 4.16Å; A53-L74 HydrophobicContact CB-CG 4.4Å
54	F	81.5	Confident	76.9	Confident	127 Å²	127	65.2 Å²	65.2	56%	0.557	35%	0.346	S	S	*	.	H	α-helix	trans	-65.8	-35.7	174.7	70.5	-93.3	0	0	0	112.5	A52 V57 D58 I70	A52-F54 HydrophobicContact CB-CD1 3.54Å; A52-F54 HydrophobicContact CB-CE1 3.18Å; A52-F54 HydrophobicContact CB-CG 4.45Å; A52-F54 HydrophobicContact CB-CZ 3.85Å; A52-F54 PolarHBondContact O-N 3.33Å; A52-F54 VanDerWaalsContact O-N 3.17Å; F54-V57 PolarHBondContact O-N 2.93Å; F54-D58 WeakPolarHBondContact O-CB 3.39Å; F54-D58 PolarHBondContact O-N 3.44Å; F54-I70 HydrophobicContact CB-CD1 4.04Å; F54-I70 HydrophobicContact CB-CG1 4.46Å
55	I	80.1	Confident	77.1	Confident	81 Å²	81	66.5 Å²	66.5	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-41.2	175.6	-58.6	175.1	0	0	0	109.9	V51 A52 A53 V57 D58 F59	V51-I55 HydrophobicContact CG1-CB 3.57Å; V51-I55 HydrophobicContact CG1-CD1 4.27Å; V51-I55 HydrophobicContact CG1-CG1 4.47Å; V51-I55 HydrophobicContact CG1-CG2 3.53Å; A52-I55 HydrophobicContact CB-CD1 3.98Å; A52-I55 HydrophobicContact CB-CG1 4.11Å; A52-I55 WeakPolarHBondContact O-CB 3.33Å; A52-I55 PolarHBondContact O-N 2.87Å; A53-I55 VanDerWaalsContact C-N 3.34Å; I55-V57 VanDerWaalsContact C-N 3.32Å; I55-V57 PolarHBondContact O-N 3.12Å; I55-D58 PolarHBondContact O-N 2.68Å; I55-F59 VanDerWaalsContact O-CB 3.28Å; I55-F59 WeakPolarHBondContact O-CB 3.38Å; I55-F59 PolarHBondContact O-N 3.27Å
56	V	81	Confident	77.4	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-46.2	174.7	-180	0	0	0	0	110.2	L46 V51 A52 A53 V60 V73	L46-V56 HydrophobicContact CB-CG1 4.08Å; L46-V56 HydrophobicContact CB-CG2 4.28Å; L46-V56 WeakPolarHBondContact O-CG2 3.2Å; V51-V56 HydrophobicContact CB-CG2 4.26Å; V51-V56 HydrophobicContact CG1-CG2 3.94Å; A52-V56 PolarHBondContact O-N 3.47Å; A52-V56 VanDerWaalsContact O-N 3.14Å; A53-V56 PolarHBondContact O-N 3.33Å; V56-V60 HydrophobicContact CG1-CG2 4.08Å; V56-V60 WeakPolarHBondContact O-CB 3.44Å; V56-V60 WeakPolarHBondContact O-CG2 3.36Å; V56-V60 PolarHBondContact O-N 3.4Å; V56-V73 HydrophobicContact CB-CG1 4.23Å; V56-V73 HydrophobicContact CB-CG2 4.28Å; V56-V73 HydrophobicContact CG1-CG1 4.23Å; V56-V73 HydrophobicContact CG1-CG2 3.96Å; V56-V73 HydrophobicContact CG2-CG1 4.43Å
57	V	83.1	Confident	77.9	Confident	18 Å²	18	73.5 Å²	73.5	11%	0.109	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-46.6	177.3	169	0	0	0	0	111.4	A53 F54 I55 V60 N61 L68 I70 V73	A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.18Å; A53-V57 PolarHBondContact O-N 2.99Å; F54-V57 PolarHBondContact O-N 2.93Å; I55-V57 VanDerWaalsContact C-N 3.32Å; I55-V57 PolarHBondContact O-N 3.12Å; V57-V60 PolarHBondContact O-N 2.92Å; V57-N61 WeakPolarHBondContact CG1-ND2 3.13Å; V57-N61 WeakPolarHBondContact O-CB 3.19Å; V57-N61 PolarHBondContact O-N 3.47Å; V57-N61 PolarHBondContact O-ND2 2.98Å; V57-L68 WeakPolarHBondContact CG1-O 3.36Å; V57-L68 HydrophobicContact CG2-CD2 4.38Å; V57-L68 HydrophobicContact CG2-CG 4.3Å; V57-I70 HydrophobicContact CG2-CG1 4.03Å; V57-V73 HydrophobicContact CG2-CG2 3.76Å
58	D	84.6	Confident	78.6	Confident	128 Å²	128	73.7 Å²	73.7	68%	0.684	38%	0.377	S	S	*	.	H	α-helix	trans	-66	-41.3	-178.1	-164.3	52.5	0	0	0	112.3	F54 I55 P62	F54-D58 WeakPolarHBondContact O-CB 3.39Å; F54-D58 PolarHBondContact O-N 3.44Å; I55-D58 PolarHBondContact O-N 2.68Å; D58-P62 WeakPolarHBondContact O-CD 3.35Å; D58-P62 WeakPolarHBondContact O-CG 3.34Å
59	F	84.9	Confident	79.4	Confident	142 Å²	142	74.4 Å²	74.4	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-68.1	-40.8	176.1	-178.4	-94.2	0	0	0	112.5	L46 I55	L46-F59 HydrophobicContact CD1-CD1 3.37Å; L46-F59 HydrophobicContact CD1-CE1 3.58Å; L46-F59 HydrophobicContact CD1-CG 4.41Å; I55-F59 VanDerWaalsContact O-CB 3.28Å; I55-F59 WeakPolarHBondContact O-CB 3.38Å; I55-F59 PolarHBondContact O-N 3.27Å
60	V	81.7	Confident	79.9	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-85.1	-40.8	-169.9	173.6	0	0	0	0	111.5	V43 L46 V56 V57 P62 S63 L64 L68	V43-V60 HydrophobicContact CG1-CG1 4.46Å; V43-V60 HydrophobicContact CG1-CG2 4.25Å; V43-V60 HydrophobicContact CG2-CB 4.4Å; V43-V60 HydrophobicContact CG2-CG1 3.53Å; V43-V60 HydrophobicContact CG2-CG2 3.87Å; L46-V60 HydrophobicContact CD1-CG2 3.78Å; V56-V60 HydrophobicContact CG1-CG2 4.08Å; V56-V60 WeakPolarHBondContact O-CB 3.44Å; V56-V60 WeakPolarHBondContact O-CG2 3.36Å; V56-V60 PolarHBondContact O-N 3.4Å; V57-V60 PolarHBondContact O-N 2.92Å; V60-P62 VanDerWaalsContact C-CD 3.47Å; V60-S63 PolarHBondContact O-N 3.38Å; V60-S63 PolarHBondContact O-OG 3.01Å; V60-L64 HydrophobicContact CG1-CD1 3.32Å; V60-L64 HydrophobicContact CG1-CD2 3.93Å; V60-L64 HydrophobicContact CG1-CG 3.49Å; V60-L64 VanDerWaalsContact CG1-CG 3.49Å; V60-L64 WeakPolarHBondContact O-CG 3.41Å; V60-L64 PolarHBondContact O-N 3.22Å; V60-L68 HydrophobicContact CB-CD2 4.24Å; V60-L68 HydrophobicContact CG1-CD2 4.04Å
61	N	83.1	Confident	80.3	Confident	39 Å²	39	74.4 Å²	74.4	21%	0.209	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-51.3	-44.4	-174.5	-88.2	-20.8	0	0	0	115.4	V57 S63 L64 L68	V57-N61 WeakPolarHBondContact CG1-ND2 3.13Å; V57-N61 WeakPolarHBondContact O-CB 3.19Å; V57-N61 PolarHBondContact O-N 3.47Å; V57-N61 PolarHBondContact O-ND2 2.98Å; N61-S63 PolarHBondContact O-N 2.93Å; N61-S63 VanDerWaalsContact O-N 3.1Å; N61-L64 PolarHBondContact O-N 3.27Å; N61-L64 VanDerWaalsContact O-N 3.08Å; N61-L68 PolarHBondContact ND2-O 3.24Å; N61-L68 WeakPolarHBondContact OD1-CA 3.32Å; N61-L68 WeakPolarHBondContact OD1-CB 3.44Å; N61-L68 PolarHBondContact OD1-N 2.91Å; N61-L68 PolarHBondContact OD1-O 3.2Å
62	P	85	Confident	80.7	Confident	113 Å²	113	74.7 Å²	74.7	73%	0.734	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.8	-26.6	178.2	-26.2	35.1	0	0	0	113.7	D58 V60	D58-P62 WeakPolarHBondContact O-CD 3.35Å; D58-P62 WeakPolarHBondContact O-CG 3.34Å; V60-P62 VanDerWaalsContact C-CD 3.47Å
63	S	80.6	Confident	80.8	Confident	63 Å²	63	73.1 Å²	73.1	44%	0.441	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-94.5	-7.9	-178.7	74.8	0	0	0	0	113.9	K39 V60 N61	K39-S63 PolarHBondContact NZ-O 3.16Å; V60-S63 PolarHBondContact O-N 3.38Å; V60-S63 PolarHBondContact O-OG 3.01Å; N61-S63 PolarHBondContact O-N 2.93Å; N61-S63 VanDerWaalsContact O-N 3.1Å
64	L	74.2	Confident	80.6	Confident	20 Å²	20	74.5 Å²	74.5	11%	0.105	37%	0.371	C	S	.	.			trans	-100	142.7	-176	-64.3	-173.4	0	0	0	112.2	L35 K39 V60 N61 N66 L68	L35-L64 HydrophobicContact CD1-CD1 4.21Å; L35-L64 HydrophobicContact CD1-CD2 4.38Å; L35-L64 HydrophobicContact CD2-CB 4.44Å; L35-L64 HydrophobicContact CD2-CD1 3.53Å; L35-L64 HydrophobicContact CD2-CD2 3.54Å; L35-L64 HydrophobicContact CD2-CG 3.98Å; L35-L64 HydrophobicContact CG-CD2 4.47Å; K39-L64 HydrophobicContact CB-CD2 4.4Å; K39-L64 HydrophobicContact CD-CD2 4Å; V60-L64 HydrophobicContact CG1-CD1 3.32Å; V60-L64 HydrophobicContact CG1-CD2 3.93Å; V60-L64 HydrophobicContact CG1-CG 3.49Å; V60-L64 VanDerWaalsContact CG1-CG 3.49Å; V60-L64 WeakPolarHBondContact O-CG 3.41Å; V60-L64 PolarHBondContact O-N 3.22Å; N61-L64 PolarHBondContact O-N 3.27Å; N61-L64 VanDerWaalsContact O-N 3.08Å; L64-N66 VanDerWaalsContact C-N 3.27Å; L64-N66 WeakPolarHBondContact CB-O 3.46Å; L64-N66 WeakPolarHBondContact CD1-O 3.22Å; L64-L68 HydrophobicContact CD1-CB 3.88Å
65	Q	73.9	Confident	80.4	Confident	181 Å²	181	72 Å²	72	85%	0.846	36%	0.363	S	S	*	.	S	Bend	trans	-72	-27.6	168.4	-72.3	175.1	1.2	0	0	111.5
66	N	78.3	Confident	80.2	Confident	69 Å²	69	68.8 Å²	68.8	37%	0.369	35%	0.346	S	S	.	.	S	Bend	trans	-114	133.1	179.6	-71.2	-46.1	0	0	0	109.7	K34 L64 L68	K34-N66 PolarHBondContact O-ND2 3.05Å; K34-N66 VanDerWaalsContact O-ND2 3.16Å; L64-N66 VanDerWaalsContact C-N 3.27Å; L64-N66 WeakPolarHBondContact CB-O 3.46Å; L64-N66 WeakPolarHBondContact CD1-O 3.22Å; N66-L68 PolarHBondContact O-N 3.32Å
67	R	81.7	Confident	79.9	Confident	206 Å²	206	69.1 Å²	69.1	78%	0.777	35%	0.347	S	S	*	.			trans	-64	122.3	176.6	-173.8	176.8	-179.2	174	1.1	110.3
68	L	83.2	Confident	79.1	Confident	7 Å²	7	74 Å²	74	4%	0.037	37%	0.369	C	S	.	.			trans	-81.1	131.9	166.4	-170.4	68	0	0	0	108.7	V57 V60 N61 L64 N66 D72 V73 M76	V57-L68 WeakPolarHBondContact CG1-O 3.36Å; V57-L68 HydrophobicContact CG2-CD2 4.38Å; V57-L68 HydrophobicContact CG2-CG 4.3Å; V60-L68 HydrophobicContact CB-CD2 4.24Å; V60-L68 HydrophobicContact CG1-CD2 4.04Å; N61-L68 PolarHBondContact ND2-O 3.24Å; N61-L68 WeakPolarHBondContact OD1-CA 3.32Å; N61-L68 WeakPolarHBondContact OD1-CB 3.44Å; N61-L68 PolarHBondContact OD1-N 2.91Å; N61-L68 PolarHBondContact OD1-O 3.2Å; L64-L68 HydrophobicContact CD1-CB 3.88Å; N66-L68 PolarHBondContact O-N 3.32Å; L68-D72 HydrophobicContact CD1-CB 3.55Å; L68-D72 HydrophobicContact CG-CB 4.4Å; L68-V73 HydrophobicContact CD1-CG2 4.48Å; L68-V73 HydrophobicContact CD2-CG2 3.6Å; L68-V73 HydrophobicContact CG-CG2 3.98Å; L68-M76 HydrophobicContact CD1-CE 3.42Å; L68-M76 VanDerWaalsContact CD1-CE 3.42Å
69	I	83.5	Confident	78.2	Confident	84 Å²	84	71.5 Å²	71.5	43%	0.431	35%	0.35	S	S	.	.			trans	-104.2	158.6	171.8	58.5	166.2	0	0	0	110.9	Q71 D72 V73	I69-Q71 HydrophobicContact CD1-CB 3.92Å; I69-Q71 HydrophobicContact CG1-CB 4.26Å; I69-Q71 PolarHBondContact O-N 2.82Å; I69-D72 HydrophobicContact CG1-CB 4.28Å; I69-D72 WeakPolarHBondContact CG1-OD2 3.43Å; I69-D72 PolarHBondContact N-OD2 3.34Å; I69-D72 WeakPolarHBondContact O-CB 3.17Å; I69-D72 PolarHBondContact O-N 3.48Å; I69-V73 PolarHBondContact O-N 3.21Å
70	I	79.5	Confident	77.2	Confident	84 Å²	84	65.6 Å²	65.6	43%	0.431	33%	0.325	S	S	.	.	H	α-helix	trans	-54.5	-40.4	-179.6	-66	172.3	0	0	0	110.8	A53 F54 V57 D72 V73 L74	A53-I70 HydrophobicContact CB-CG2 3.92Å; F54-I70 HydrophobicContact CB-CD1 4.04Å; F54-I70 HydrophobicContact CB-CG1 4.46Å; V57-I70 HydrophobicContact CG2-CG1 4.03Å; I70-D72 VanDerWaalsContact C-N 3.26Å; I70-D72 PolarHBondContact O-N 3.17Å; I70-V73 PolarHBondContact O-N 3.32Å; I70-V73 VanDerWaalsContact O-N 3.17Å; I70-L74 HydrophobicContact CG2-CD1 4.04Å; I70-L74 HydrophobicContact CG2-CG 4.3Å; I70-L74 WeakPolarHBondContact O-CG 3.37Å; I70-L74 PolarHBondContact O-N 2.94Å
71	Q	79.1	Confident	76.1	Confident	102 Å²	102	66.2 Å²	66.2	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-36.6	177.7	-169.4	60.9	51.8	0	0	112.6	I69 L74 N75	I69-Q71 HydrophobicContact CD1-CB 3.92Å; I69-Q71 HydrophobicContact CG1-CB 4.26Å; I69-Q71 PolarHBondContact O-N 2.82Å; Q71-L74 PolarHBondContact O-N 3.17Å; Q71-N75 PolarHBondContact NE2-OD1 3.05Å; Q71-N75 WeakPolarHBondContact O-CB 3.38Å; Q71-N75 PolarHBondContact O-N 2.81Å; Q71-N75 PolarHBondContact O-ND2 3.19Å; Q71-N75 PolarHBondContact O-OD1 2.63Å
72	D	79.4	Confident	74.9	Confident	57 Å²	57	68 Å²	68	31%	0.305	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-51.3	176.4	-65.8	-34	0	0	0	109.2	L68 I69 I70 L74 N75 M76	L68-D72 HydrophobicContact CD1-CB 3.55Å; L68-D72 HydrophobicContact CG-CB 4.4Å; I69-D72 HydrophobicContact CG1-CB 4.28Å; I69-D72 WeakPolarHBondContact CG1-OD2 3.43Å; I69-D72 PolarHBondContact N-OD2 3.34Å; I69-D72 WeakPolarHBondContact O-CB 3.17Å; I69-D72 PolarHBondContact O-N 3.48Å; I70-D72 VanDerWaalsContact C-N 3.26Å; I70-D72 PolarHBondContact O-N 3.17Å; D72-L74 VanDerWaalsContact C-N 3.32Å; D72-L74 PolarHBondContact O-N 3.35Å; D72-N75 CarbonylContact O-C 3.52Å; D72-N75 WeakPolarHBondContact O-CB 3.33Å; D72-N75 PolarHBondContact O-N 3.1Å; D72-N75 VanDerWaalsContact O-N 3.1Å; D72-M76 HydrophobicContact CB-CE 4.04Å; D72-M76 WeakPolarHBondContact O-CG 3.42Å; D72-M76 PolarHBondContact O-N 2.85Å
73	V	78	Confident	73.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-55.4	-47.6	178.2	179.2	0	0	0	0	111.2	A53 V56 V57 L68 I69 I70 N75 M76 R77	A53-V73 HydrophobicContact CB-CB 4.13Å; A53-V73 HydrophobicContact CB-CG1 3.85Å; V56-V73 HydrophobicContact CB-CG1 4.23Å; V56-V73 HydrophobicContact CB-CG2 4.28Å; V56-V73 HydrophobicContact CG1-CG1 4.23Å; V56-V73 HydrophobicContact CG1-CG2 3.96Å; V56-V73 HydrophobicContact CG2-CG1 4.43Å; V57-V73 HydrophobicContact CG2-CG2 3.76Å; L68-V73 HydrophobicContact CD1-CG2 4.48Å; L68-V73 HydrophobicContact CD2-CG2 3.6Å; L68-V73 HydrophobicContact CG-CG2 3.98Å; I69-V73 PolarHBondContact O-N 3.21Å; I70-V73 PolarHBondContact O-N 3.32Å; I70-V73 VanDerWaalsContact O-N 3.17Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 3.49Å; V73-M76 WeakPolarHBondContact O-CB 3.16Å; V73-M76 PolarHBondContact O-N 3.17Å; V73-R77 HydrophobicContact CG1-CG 4.45Å; V73-R77 WeakPolarHBondContact O-CG 2.77Å; V73-R77 PolarHBondContact O-N 3.27Å
74	L	76.9	Confident	72.1	Confident	41 Å²	41	65.7 Å²	65.7	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-44	177.6	-66.6	175.6	0	0	0	112	A53 I70 Q71 D72 M76 R77 H78 N96	A53-L74 HydrophobicContact CB-CD2 4.16Å; A53-L74 HydrophobicContact CB-CG 4.4Å; I70-L74 HydrophobicContact CG2-CD1 4.04Å; I70-L74 HydrophobicContact CG2-CG 4.3Å; I70-L74 WeakPolarHBondContact O-CG 3.37Å; I70-L74 PolarHBondContact O-N 2.94Å; Q71-L74 PolarHBondContact O-N 3.17Å; D72-L74 VanDerWaalsContact C-N 3.32Å; D72-L74 PolarHBondContact O-N 3.35Å; L74-M76 VanDerWaalsContact C-N 3.34Å; L74-M76 PolarHBondContact O-N 2.9Å; L74-R77 PolarHBondContact O-N 3.43Å; L74-H78 WeakPolarHBondContact O-CB 3.4Å; L74-H78 PolarHBondContact O-N 3.27Å; L74-N96 HydrophobicContact CD2-CB 4.1Å
75	N	77.4	Confident	70.9	Confident	73 Å²	73	71.2 Å²	71.2	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-41	175.7	-69.4	-15.6	0	0	0	111.6	Q71 D72 V73 R79	Q71-N75 PolarHBondContact NE2-OD1 3.05Å; Q71-N75 WeakPolarHBondContact O-CB 3.38Å; Q71-N75 PolarHBondContact O-N 2.81Å; Q71-N75 PolarHBondContact O-ND2 3.19Å; Q71-N75 PolarHBondContact O-OD1 2.63Å; D72-N75 CarbonylContact O-C 3.52Å; D72-N75 WeakPolarHBondContact O-CB 3.33Å; D72-N75 PolarHBondContact O-N 3.1Å; D72-N75 VanDerWaalsContact O-N 3.1Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 3.49Å; N75-R79 WeakPolarHBondContact O-CG 3.31Å; N75-R79 PolarHBondContact O-N 2.99Å
76	M	74.8	Confident	69.6	Low	15 Å²	15	68.4 Å²	68.4	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.8	-61	-172.7	-159.9	0	0	110.7	W32 V47 L68 D72 V73 L74 R79 V80	W32-M76 HydrophobicContact CZ2-CB 4.04Å; W32-M76 HydrophobicContact CZ2-CG 4.15Å; W32-M76 PolarHBondContact NE1-SD 3.01Å; V47-M76 HydrophobicContact CG1-CB 3.54Å; V47-M76 HydrophobicContact CG2-CB 4.41Å; V47-M76 HydrophobicContact CG2-SD 3.8Å; L68-M76 HydrophobicContact CD1-CE 3.42Å; L68-M76 VanDerWaalsContact CD1-CE 3.42Å; D72-M76 HydrophobicContact CB-CE 4.04Å; D72-M76 WeakPolarHBondContact O-CG 3.42Å; D72-M76 PolarHBondContact O-N 2.85Å; V73-M76 WeakPolarHBondContact O-CB 3.16Å; V73-M76 PolarHBondContact O-N 3.17Å; L74-M76 VanDerWaalsContact C-N 3.34Å; L74-M76 PolarHBondContact O-N 2.9Å; M76-R79 PolarHBondContact O-N 3.2Å; M76-V80 WeakPolarHBondContact O-CG2 2.93Å; M76-V80 PolarHBondContact O-N 1.98Å
77	R	74.5	Confident	68	Low	7 Å²	7	71.7 Å²	71.7	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-44.7	179.7	-66.1	-174.7	170.4	175.8	-4.7	112.6	L46 V47 S49 V51 V73 L74 R79 V80 C81 N96	L46-R77 PolarHBondContact O-NH2 3.23Å; V47-R77 HydrophobicContact CG1-CG 3.71Å; V47-R77 WeakPolarHBondContact O-CD 3.42Å; V47-R77 WeakPolarHBondContact O-CG 3.48Å; V47-R77 PolarHBondContact O-NE 3.05Å; S49-R77 PolarHBondContact O-NH2 3.41Å; V51-R77 PolarHBondContact O-NH1 2.93Å; V51-R77 PolarHBondContact O-NH2 2.95Å; V73-R77 HydrophobicContact CG1-CG 4.45Å; V73-R77 WeakPolarHBondContact O-CG 2.77Å; V73-R77 PolarHBondContact O-N 3.27Å; L74-R77 PolarHBondContact O-N 3.43Å; R77-R79 PolarHBondContact O-N 3.09Å; R77-V80 PolarHBondContact O-N 2.93Å; R77-V80 VanDerWaalsContact O-N 3.16Å; R77-C81 WeakPolarHBondContact O-CB 3.42Å; R77-C81 PolarHBondContact O-N 3.46Å; R77-C81 PolarHBondContact O-SG 3.16Å; R77-N96 WeakPolarHBondContact CD-O 3.33Å
78	H	67.8	Low	66.3	Low	120 Å²	120	71.5 Å²	71.5	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-54.2	-39.8	176.4	-174.5	-81.8	0	0	0	111.5	L74 C81 S82	L74-H78 WeakPolarHBondContact O-CB 3.4Å; L74-H78 PolarHBondContact O-N 3.27Å; H78-C81 WeakPolarHBondContact O-CB 3.19Å; H78-S82 PolarHBondContact O-N 2.85Å; H78-S82 PolarHBondContact O-OG 2.83Å
79	R	65.1	Low	64.4	Low	76 Å²	76	76 Å²	76	29%	0.287	38%	0.384	S	S	.	.	H	α-helix	trans	-74.3	-36.7	177.9	-69.8	178.1	-179.5	-169.9	3.7	114.3	I29 W32 N75 M76 R77 C81 S82 Q83	I29-R79 PolarHBondContact O-NH1 3.45Å; W32-R79 HydrophobicContact CH2-CB 4.34Å; N75-R79 WeakPolarHBondContact O-CG 3.31Å; N75-R79 PolarHBondContact O-N 2.99Å; M76-R79 PolarHBondContact O-N 3.2Å; R77-R79 PolarHBondContact O-N 3.09Å; R79-C81 VanDerWaalsContact C-N 3.28Å; R79-S82 WeakPolarHBondContact CA-OG 3.08Å; R79-S82 PolarHBondContact O-N 2.9Å; R79-S82 PolarHBondContact O-OG 3.43Å; R79-Q83 WeakPolarHBondContact O-CG 3.12Å; R79-Q83 PolarHBondContact O-N 3.44Å
80	V	63.6	Low	62.4	Low	19 Å²	19	74.1 Å²	74.1	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-60.6	-44.8	172.2	169.8	0	0	0	0	109.5	I48 M76 R77 Q83	I48-V80 HydrophobicContact CD1-CG1 4.29Å; I48-V80 HydrophobicContact CG1-CG1 3.9Å; I48-V80 HydrophobicContact CG1-CG2 4.26Å; M76-V80 WeakPolarHBondContact O-CG2 2.93Å; M76-V80 PolarHBondContact O-N 1.98Å; R77-V80 PolarHBondContact O-N 2.93Å; R77-V80 VanDerWaalsContact O-N 3.16Å; V80-Q83 PolarHBondContact O-N 3.32Å
81	C	59.4	Low	60.7	Low	14 Å²	14	72.9 Å²	72.9	10%	0.095	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-39.5	179.3	-76.1	0	0	0	0	114.1	R77 H78 R79 Q83 T84 C94	R77-C81 WeakPolarHBondContact O-CB 3.42Å; R77-C81 PolarHBondContact O-N 3.46Å; R77-C81 PolarHBondContact O-SG 3.16Å; H78-C81 WeakPolarHBondContact O-CB 3.19Å; R79-C81 VanDerWaalsContact C-N 3.28Å; C81-Q83 PolarHBondContact O-N 2.96Å; C81-T84 PolarHBondContact O-N 2.82Å; C81-T84 PolarHBondContact O-OG1 3.36Å; C81-C94 HydrophobicContact CB-CB 3.22Å; C81-C94 WeakPolarHBondContact CB-SG 3.42Å; C81-C94 WeakPolarHBondContact SG-CB 3.41Å; C81-C94 CovalentContact SG-SG 1.98Å; C81-C94 PolarHBondContact SG-SG 3.16Å
82	S	57.4	Low	59.1	Low	76 Å²	76	71.1 Å²	71.1	53%	0.531	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-15.5	176.8	62.3	0	0	0	0	113.5	H78 R79	H78-S82 PolarHBondContact O-N 2.85Å; H78-S82 PolarHBondContact O-OG 2.83Å; R79-S82 WeakPolarHBondContact CA-OG 3.08Å; R79-S82 PolarHBondContact O-N 2.9Å; R79-S82 PolarHBondContact O-OG 3.43Å
83	Q	55.2	Low	57.6	Low	90 Å²	90	69.7 Å²	69.7	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-88.4	-17.1	178.5	-71.3	173.3	18	0	0	113.5	I26 R79 V80 C81 N85	I26-Q83 HydrophobicContact CD1-CG 4.28Å; R79-Q83 WeakPolarHBondContact O-CG 3.12Å; R79-Q83 PolarHBondContact O-N 3.44Å; V80-Q83 PolarHBondContact O-N 3.32Å; C81-Q83 PolarHBondContact O-N 2.96Å; Q83-N85 PolarHBondContact O-N 2.78Å
84	T	51.2	Low	56.3	Low	39 Å²	39	71.3 Å²	71.3	24%	0.239	36%	0.36	C	S	.	.	S	Bend	trans	-80.7	109.1	176.3	45.9	0	0	0	0	110.4	C81 F86	C81-T84 PolarHBondContact O-N 2.82Å; C81-T84 PolarHBondContact O-OG1 3.36Å; T84-F86 PolarHBondContact O-N 3.35Å; T84-F86 VanDerWaalsContact O-N 3.16Å
85	N	48.1	Very low	55	Low	136 Å²	136	72.8 Å²	72.8	73%	0.727	37%	0.367	S	S	*	.			trans	-47.3	119.4	177.5	-71.1	-45.5	0	0	0	111	Q83 Q87	Q83-N85 PolarHBondContact O-N 2.78Å; N85-Q87 PolarHBondContact O-N 2.8Å; N85-Q87 VanDerWaalsContact O-N 3.09Å
86	F	47.5	Very low	53.7	Low	121 Å²	121	75 Å²	75	53%	0.531	38%	0.379	S	S	.	.			trans	-57.8	109.9	167.1	-67.6	-91.4	0	0	0	108.3	T84 M91 Y92	T84-F86 PolarHBondContact O-N 3.35Å; T84-F86 VanDerWaalsContact O-N 3.16Å; F86-M91 HydrophobicContact CD1-CG 4.36Å; F86-M91 HydrophobicContact CE1-CG 4.16Å; F86-Y92 WeakPolarHBondContact CE1-O 3.33Å
87	Q	45.6	Very low	52.5	Low	138 Å²	138	74.8 Å²	74.8	65%	0.645	38%	0.38	S	S	*	.			trans	-80.3	126.6	163.5	-69.6	-160.8	-28.1	0	0	107.2	N85 T89 N90	N85-Q87 PolarHBondContact O-N 2.8Å; N85-Q87 VanDerWaalsContact O-N 3.09Å; Q87-T89 PolarHBondContact O-N 2.74Å; Q87-N90 PolarHBondContact O-N 2.99Å; Q87-N90 VanDerWaalsContact O-O 3.11Å
88	E	45.8	Very low	51.3	Low	202 Å²	202	77.9 Å²	77.9	94%	0.944	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-4.6	-161.7	-63.2	176.4	161.5	0	0	116.1
89	T	43.5	Very low	50.4	Low	103 Å²	103	77.7 Å²	77.7	63%	0.632	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-16.5	178.6	50.3	0	0	0	0	114.2	Q87	Q87-T89 PolarHBondContact O-N 2.74Å
90	N	41.2	Very low	49.7	Very low	43 Å²	43	75.8 Å²	75.8	23%	0.23	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	111	-179.5	-66.6	-58.1	0	0	0	109.5	Q87 Y92 I101	Q87-N90 PolarHBondContact O-N 2.99Å; Q87-N90 VanDerWaalsContact O-O 3.11Å; N90-Y92 HydrophobicContact CB-CE2 4.09Å; N90-Y92 WeakPolarHBondContact O-CD2 3.48Å; N90-Y92 PolarHBondContact O-N 2.72Å; N90-I101 HydrophobicContact CB-CG2 4.2Å
91	M	42.3	Very low	49	Very low	58 Å²	58	79.8 Å²	79.8	29%	0.286	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	110.2	174.8	-173.8	171.9	84.8	0	0	108.7	F86 I93 V102	F86-M91 HydrophobicContact CD1-CG 4.36Å; F86-M91 HydrophobicContact CE1-CG 4.16Å; M91-I93 HydrophobicContact CE-CD1 3.56Å; M91-I93 HydrophobicContact CE-CG1 3.63Å; M91-I93 HydrophobicContact CG-CG1 4.39Å; M91-I93 PolarHBondContact O-N 2.85Å; M91-V102 HydrophobicContact CB-CB 4.18Å; M91-V102 WeakPolarHBondContact CB-O 3.46Å; M91-V102 HydrophobicContact CE-CB 4.11Å; M91-V102 HydrophobicContact CE-CG1 3.97Å; M91-V102 PolarHBondContact N-O 3.44Å; M91-V102 WeakPolarHBondContact O-CA 3.36Å; M91-V102 WeakPolarHBondContact O-CB 3.42Å; M91-V102 PolarHBondContact O-N 3.41Å
92	Y	46.2	Very low	48.5	Very low	65 Å²	65	79.3 Å²	79.3	26%	0.255	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	105.3	172.9	-61.6	-89.1	0	0	0	108.8	F86 N90 R99 V100 I101	F86-Y92 WeakPolarHBondContact CE1-O 3.33Å; N90-Y92 HydrophobicContact CB-CE2 4.09Å; N90-Y92 WeakPolarHBondContact O-CD2 3.48Å; N90-Y92 PolarHBondContact O-N 2.72Å; Y92-R99 HydrophobicContact CD1-CB 4.45Å; Y92-V100 CarbonylContact C-O 3.25Å; Y92-V100 VanDerWaalsContact CA-O 3.31Å; Y92-V100 WeakPolarHBondContact CA-O 3.36Å; Y92-I101 HydrophobicContact CD1-CG1 3.97Å; Y92-I101 HydrophobicContact CE1-CD1 4.19Å; Y92-I101 HydrophobicContact CE1-CG1 3.73Å
93	I	48.9	Very low	47.9	Very low	27 Å²	27	83.3 Å²	83.3	14%	0.138	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.9	170.3	-59	-176.6	0	0	0	107.8	M91 M95 V100 V102 F111	M91-I93 HydrophobicContact CE-CD1 3.56Å; M91-I93 HydrophobicContact CE-CG1 3.63Å; M91-I93 HydrophobicContact CG-CG1 4.39Å; M91-I93 PolarHBondContact O-N 2.85Å; I93-M95 HydrophobicContact CG2-CG 3.91Å; I93-V100 HydrophobicContact CB-CB 4.36Å; I93-V100 PolarHBondContact N-O 2.72Å; I93-V100 WeakPolarHBondContact O-CA 3.33Å; I93-V100 WeakPolarHBondContact O-CB 3.47Å; I93-V100 PolarHBondContact O-N 2.89Å; I93-V102 HydrophobicContact CB-CG2 4.3Å; I93-V102 HydrophobicContact CD1-CB 4.26Å; I93-V102 HydrophobicContact CD1-CG2 3.4Å; I93-V102 HydrophobicContact CG1-CB 4.32Å; I93-V102 HydrophobicContact CG1-CG2 3.6Å; I93-F111 HydrophobicContact CD1-CE2 4.1Å
94	C	49.6	Very low	47.2	Very low	34 Å²	34	83.8 Å²	83.8	23%	0.23	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	102.1	169.9	-85.8	0	0	0	0	113.5	C81 M98 R99	C81-C94 HydrophobicContact CB-CB 3.22Å; C81-C94 WeakPolarHBondContact CB-SG 3.42Å; C81-C94 WeakPolarHBondContact SG-CB 3.41Å; C81-C94 CovalentContact SG-SG 1.98Å; C81-C94 PolarHBondContact SG-SG 3.16Å; C94-M98 CarbonylContact C-O 3.58Å; C94-M98 WeakPolarHBondContact CA-O 3.13Å; C94-R99 VanDerWaalsContact SG-CG 3.58Å
95	M	49.6	Very low	46.4	Very low	72 Å²	72	84.5 Å²	84.5	36%	0.355	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.1	174.7	-63.7	-156.7	-66.9	0	0	109.5	I93 G97 M98 V100	I93-M95 HydrophobicContact CG2-CG 3.91Å; M95-G97 PolarHBondContact O-N 3.14Å; M95-M98 PolarHBondContact N-O 3.08Å; M95-M98 WeakPolarHBondContact O-CB 3.44Å; M95-M98 PolarHBondContact O-N 3.47Å; M95-V100 HydrophobicContact CB-CG2 4.19Å; M95-V100 HydrophobicContact CE-CB 4.48Å; M95-V100 HydrophobicContact CE-CG1 4.39Å; M95-V100 HydrophobicContact CE-CG2 3.59Å; M95-V100 HydrophobicContact CG-CG2 4.03Å
96	N	51.6	Low	45.6	Very low	120 Å²	120	84.9 Å²	84.9	64%	0.642	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	26.9	-175.4	-65.2	-31.2	0	0	0	113.6	L74 R77	L74-N96 HydrophobicContact CD2-CB 4.1Å; R77-N96 WeakPolarHBondContact CD-O 3.33Å
97	G	48.5	Very low	45.1	Very low	10 Å²	10	87.8 Å²	87.8	10%	0.103	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	6.8	-177.2	0	0	0	0	0	117.7	M95	M95-G97 PolarHBondContact O-N 3.14Å
98	M	48.6	Very low	44.5	Very low	73 Å²	73	88.4 Å²	88.4	36%	0.36	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.6	166.7	-64.7	175.1	170.4	0	0	109.6	E50 C94 M95 V100	E50-M98 HydrophobicContact CB-CE 4.15Å; E50-M98 HydrophobicContact CG-CG 4.45Å; E50-M98 WeakPolarHBondContact O-CE 3.38Å; C94-M98 CarbonylContact C-O 3.58Å; C94-M98 WeakPolarHBondContact CA-O 3.13Å; M95-M98 PolarHBondContact N-O 3.08Å; M95-M98 WeakPolarHBondContact O-CB 3.44Å; M95-M98 PolarHBondContact O-N 3.47Å; M98-V100 PolarHBondContact O-N 3.45Å
99	R	49.8	Very low	44.2	Very low	115 Å²	115	84 Å²	84	43%	0.434	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.7	172.7	-72.7	-174.9	-146	171.2	9.8	110	Y92 C94	Y92-R99 HydrophobicContact CD1-CB 4.45Å; C94-R99 VanDerWaalsContact SG-CG 3.58Å
100	V	51.1	Low	43.5	Very low	36 Å²	36	87 Å²	87	22%	0.218	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.7	173.8	-178.9	0	0	0	0	107.2	Y92 I93 M95 M98 V102	Y92-V100 CarbonylContact C-O 3.25Å; Y92-V100 VanDerWaalsContact CA-O 3.31Å; Y92-V100 WeakPolarHBondContact CA-O 3.36Å; I93-V100 HydrophobicContact CB-CB 4.36Å; I93-V100 PolarHBondContact N-O 2.72Å; I93-V100 WeakPolarHBondContact O-CA 3.33Å; I93-V100 WeakPolarHBondContact O-CB 3.47Å; I93-V100 PolarHBondContact O-N 2.89Å; M95-V100 HydrophobicContact CB-CG2 4.19Å; M95-V100 HydrophobicContact CE-CB 4.48Å; M95-V100 HydrophobicContact CE-CG1 4.39Å; M95-V100 HydrophobicContact CE-CG2 3.59Å; M95-V100 HydrophobicContact CG-CG2 4.03Å; M98-V100 PolarHBondContact O-N 3.45Å; V100-V102 HydrophobicContact CG1-CG2 4.22Å; V100-V102 PolarHBondContact O-N 2.8Å
101	I	47.9	Very low	43.3	Very low	103 Å²	103	89.7 Å²	89.7	53%	0.528	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.1	176.6	-55.3	177.5	0	0	0	107.9	N90 Y92	N90-I101 HydrophobicContact CB-CG2 4.2Å; Y92-I101 HydrophobicContact CD1-CG1 3.97Å; Y92-I101 HydrophobicContact CE1-CD1 4.19Å; Y92-I101 HydrophobicContact CE1-CG1 3.73Å
102	V	49.5	Very low	42.6	Very low	5 Å²	5	94.6 Å²	94.6	3%	0.03	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110.7	172.9	-177.4	0	0	0	0	108.1	M91 I93 V100 F109 F111	M91-V102 HydrophobicContact CB-CB 4.18Å; M91-V102 WeakPolarHBondContact CB-O 3.46Å; M91-V102 HydrophobicContact CE-CB 4.11Å; M91-V102 HydrophobicContact CE-CG1 3.97Å; M91-V102 PolarHBondContact N-O 3.44Å; M91-V102 WeakPolarHBondContact O-CA 3.36Å; M91-V102 WeakPolarHBondContact O-CB 3.42Å; M91-V102 PolarHBondContact O-N 3.41Å; I93-V102 HydrophobicContact CB-CG2 4.3Å; I93-V102 HydrophobicContact CD1-CB 4.26Å; I93-V102 HydrophobicContact CD1-CG2 3.4Å; I93-V102 HydrophobicContact CG1-CB 4.32Å; I93-V102 HydrophobicContact CG1-CG2 3.6Å; V100-V102 HydrophobicContact CG1-CG2 4.22Å; V100-V102 PolarHBondContact O-N 2.8Å; V102-F109 HydrophobicContact CG1-CD1 3.67Å; V102-F109 HydrophobicContact CG1-CE1 3.24Å; V102-F109 HydrophobicContact CG1-CE2 4.18Å; V102-F109 HydrophobicContact CG1-CG 4.3Å; V102-F109 HydrophobicContact CG1-CZ 3.53Å; V102-F111 HydrophobicContact CG1-CZ 4.46Å; V102-F111 HydrophobicContact CG2-CE2 4.3Å; V102-F111 HydrophobicContact CG2-CZ 3.68Å
103	K	43.7	Very low	41.9	Very low	159 Å²	159	94.6 Å²	94.6	69%	0.691	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.9	173.6	-69	-176.7	176.7	-179.8	0	108.3	G105	K103-G105 PolarHBondContact O-N 3.16Å; K103-G105 VanDerWaalsContact O-N 3.08Å
104	S	41.8	Very low	40.8	Very low	100 Å²	100	101 Å²	101	70%	0.699	54%	0.541	S	S	*	.			trans	-75	96.5	175.8	-165.8	0	0	0	0	109.1
105	G	34.5	Very low	39.7	Very low	54 Å²	54	107.2 Å²	107.2	56%	0.557	57%	0.571	S	S	*	*			trans	-134	104	170.6	0	0	0	0	0	107.6	K103	K103-G105 PolarHBondContact O-N 3.16Å; K103-G105 VanDerWaalsContact O-N 3.08Å
106	D	30.5	Very low	38.9	Very low	145 Å²	145	115.8 Å²	115.8	78%	0.775	61%	0.61	S	S	*	*	S	Bend	trans	29.1	109	166.5	-69.1	-36.4	0	0	0	118.6
107	K	36.2	Very low	38.3	Very low	181 Å²	181	115.6 Å²	115.6	79%	0.787	61%	0.608	S	S	*	*	S	Bend	trans	75.3	113.4	151.3	-52.8	174.4	-174	178.7	0	115.9
108	N	34.2	Very low	37.8	Very low	151 Å²	151	121.1 Å²	121.1	81%	0.807	64%	0.635	S	S	*	*			trans	63.4	95.7	161.7	-55.9	-26.1	0	0	0	116.2	L110	N108-L110 PolarHBondContact O-N 3.16Å
109	F	38.7	Very low	37.2	Very low	110 Å²	110	123.8 Å²	123.8	48%	0.482	65%	0.65	S	S	.	*			trans	-81.5	99	166.5	-63.8	-76.3	0	0	0	110.1	V102 F111	V102-F109 HydrophobicContact CG1-CD1 3.67Å; V102-F109 HydrophobicContact CG1-CE1 3.24Å; V102-F109 HydrophobicContact CG1-CE2 4.18Å; V102-F109 HydrophobicContact CG1-CG 4.3Å; V102-F109 HydrophobicContact CG1-CZ 3.53Å; F109-F111 HydrophobicContact CB-CD2 4.34Å; F109-F111 HydrophobicContact CB-CE2 3.99Å; F109-F111 HydrophobicContact CD1-CE2 4.37Å; F109-F111 HydrophobicContact CG-CE2 4.47Å
110	L	28.5	Very low	36.4	Very low	165 Å²	165	124.3 Å²	124.3	86%	0.864	66%	0.663	S	S	*	*			trans	-94.1	111.2	160.6	-110.6	138.7	0	0	0	106.9	N108	N108-L110 PolarHBondContact O-N 3.16Å
111	F	37	Very low	35.5	Very low	100 Å²	100	129.8 Å²	129.8	44%	0.439	69%	0.69	S	S	.	*			trans	-93.7	110.9	169.1	-78.1	-81.7	0	0	0	108.8	I93 V102 F109 G113	I93-F111 HydrophobicContact CD1-CE2 4.1Å; V102-F111 HydrophobicContact CG1-CZ 4.46Å; V102-F111 HydrophobicContact CG2-CE2 4.3Å; V102-F111 HydrophobicContact CG2-CZ 3.68Å; F109-F111 HydrophobicContact CB-CD2 4.34Å; F109-F111 HydrophobicContact CB-CE2 3.99Å; F109-F111 HydrophobicContact CD1-CE2 4.37Å; F109-F111 HydrophobicContact CG-CE2 4.47Å; F111-G113 PolarHBondContact O-N 2.86Å
112	D	27.7	Very low	34.7	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	70%	0.701	S	S	*	*			trans	-89.3	93.1	166.2	-146.5	-0.3	0	0	0	107.2	I114	D112-I114 PolarHBondContact O-N 2.86Å
113	G	31.1	Very low	33.6	Very low	65 Å²	65	140.6 Å²	140.6	67%	0.67	75%	0.749	S	S	*	*			trans	-88.1	101.4	-179.5	0	0	0	0	0	110.1	F111 L115	F111-G113 PolarHBondContact O-N 2.86Å; G113-L115 PolarHBondContact O-N 3.25Å; G113-L115 VanDerWaalsContact O-N 3.14Å
114	I	27.3	Very low	32.9	Very low	161 Å²	161	139.2 Å²	139.2	83%	0.826	75%	0.754	S	S	*	*			trans	-52.6	115	173.5	-63.8	170.1	0	0	0	109.4	D112	D112-I114 PolarHBondContact O-N 2.86Å
115	L	26.3	Very low	32.1	Very low	165 Å²	165	142.5 Å²	142.5	86%	0.864	76%	0.758	S	S	*	*			trans	-86.1	105.8	160.5	-130.3	124.2	0	0	0	106.1	G113	G113-L115 PolarHBondContact O-N 3.25Å; G113-L115 VanDerWaalsContact O-N 3.14Å
116	H	33.2	Very low	31.9	Very low	252 Å²	252	150.5 Å²	150.5	100%	1.167	78%	0.777	S	S	*	*			trans	-158.1	0	152.5	-106.9	-73.1	0	0	0	109.9

Retrieved 116 of 116 residues in 57.4 ms (Link to these results)

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