A0A077YWH2_TRITR Loading...

ATP-dependent DNA helicase hus2

AlphaFold DB , UniProt , Accession A0A077YWH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

						>A0A077YWH2_TRITR|A0A077YWH2
MEADPNQQQNFPCAISETPSVEQMRGTIRNEYGTIVWHVAASRQHIYNSYKKPIVAVDVFGRESSSIELQCARATCTIHWHPGEDMQNFVSRFRMVNNF
					

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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	40.1	Very low	47.6	Very low	249 Å²	249	110.8 Å²	110.8	100%	1.227	57%	0.568	S	S	*	*				0	109.7	0	-72.4	174.3	174	0	0	106.1	A3	M1-A3 PolarHBondContact O-N 3.46Å
2	E	43.3	Very low	47.8	Very low	193 Å²	193	108.7 Å²	108.7	90%	0.902	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.4	173.7	-71.2	-175.1	96.2	0	0	107.7	D4	E2-D4 PolarHBondContact O-N 3.29Å
3	A	44.4	Very low	47.5	Very low	50 Å²	50	100.5 Å²	100.5	41%	0.413	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-62.8	127.5	174.3	0	0	0	0	0	108.1	M1 P5	M1-A3 PolarHBondContact O-N 3.46Å; A3-P5 WeakPolarHBondContact O-CD 3.44Å
4	D	47.4	Very low	47.3	Very low	74 Å²	74	94.9 Å²	94.9	40%	0.396	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-56.9	121.1	172.2	-176.3	-41.7	0	0	0	108.2	E2 N6 Q7	E2-D4 PolarHBondContact O-N 3.29Å; D4-N6 PolarHBondContact O-N 3.2Å; D4-N6 WeakPolarHBondContact OD1-CB 3.24Å; D4-N6 PolarHBondContact OD1-N 3.34Å; D4-Q7 HydrophobicContact CB-CB 4.2Å; D4-Q7 HydrophobicContact CB-CG 3.75Å; D4-Q7 PolarHBondContact O-N 3.37Å
5	P	49.2	Very low	47	Very low	71 Å²	71	91.9 Å²	91.9	46%	0.461	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.2	-174.3	25.5	-34	0	0	0	113.4	A3	A3-P5 WeakPolarHBondContact O-CD 3.44Å
6	N	48.3	Very low	46.4	Very low	130 Å²	130	90.1 Å²	90.1	70%	0.695	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-3.5	176.6	-67.4	-41.1	0	0	0	113.8	D4 Q8	D4-N6 PolarHBondContact O-N 3.2Å; D4-N6 WeakPolarHBondContact OD1-CB 3.24Å; D4-N6 PolarHBondContact OD1-N 3.34Å; N6-Q8 PolarHBondContact O-N 3.12Å; N6-Q8 VanDerWaalsContact O-N 3.1Å
7	Q	49.9	Very low	46.1	Very low	104 Å²	104	96.5 Å²	96.5	49%	0.486	51%	0.507	S	S	.	.			trans	-74.4	105.4	173.1	-81.3	178.3	18	0	0	109.6	D4 Q9	D4-Q7 HydrophobicContact CB-CB 4.2Å; D4-Q7 HydrophobicContact CB-CG 3.75Å; D4-Q7 PolarHBondContact O-N 3.37Å; Q7-Q9 PolarHBondContact O-N 2.82Å
8	Q	49.5	Very low	45.8	Very low	135 Å²	135	94.9 Å²	94.9	63%	0.631	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	121.9	162.2	-71.5	-175.1	8.5	0	0	108.2	N6 T27	N6-Q8 PolarHBondContact O-N 3.12Å; N6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-T27 HydrophobicContact CG-CG2 3.88Å
9	Q	51.2	Low	45.6	Very low	64 Å²	64	96.3 Å²	96.3	30%	0.299	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.4	175.6	-71.4	-172	16.3	0	0	108.5	Q7 F11 G26	Q7-Q9 PolarHBondContact O-N 2.82Å; Q9-F11 HydrophobicContact CB-CD2 3.99Å; Q9-F11 HydrophobicContact CB-CE2 3.41Å; Q9-F11 VanDerWaalsContact CB-CE2 3.41Å; Q9-F11 HydrophobicContact CB-CZ 4.22Å; Q9-F11 HydrophobicContact CG-CE2 4.41Å; Q9-F11 PolarHBondContact O-N 3.36Å; Q9-F11 VanDerWaalsContact OE1-CZ 3.24Å; Q9-G26 PolarHBondContact N-O 3.01Å
10	N	51.1	Low	45.5	Very low	89 Å²	89	96.8 Å²	96.8	48%	0.476	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.6	171.8	-63	-34.1	0	0	0	107.5	R25	N10-R25 WeakPolarHBondContact OD1-CG 3.46Å; N10-R25 PolarHBondContact OD1-NE 3.25Å
11	F	49.5	Very low	45.6	Very low	60 Å²	60	93.5 Å²	93.5	26%	0.263	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.3	169.2	-74.7	-88.9	0	0	0	110	Q9 C13 I28 W37 M95	Q9-F11 HydrophobicContact CB-CD2 3.99Å; Q9-F11 HydrophobicContact CB-CE2 3.41Å; Q9-F11 VanDerWaalsContact CB-CE2 3.41Å; Q9-F11 HydrophobicContact CB-CZ 4.22Å; Q9-F11 HydrophobicContact CG-CE2 4.41Å; Q9-F11 PolarHBondContact O-N 3.36Å; Q9-F11 VanDerWaalsContact OE1-CZ 3.24Å; F11-C13 VanDerWaalsContact C-N 3.25Å; F11-C13 PolarHBondContact O-N 2.97Å; F11-I28 HydrophobicContact CD2-CD1 4.43Å; F11-I28 HydrophobicContact CE2-CD1 3.29Å; F11-I28 HydrophobicContact CE2-CG1 4.01Å; F11-I28 HydrophobicContact CZ-CD1 3.48Å; F11-I28 VanDerWaalsContact CZ-CD1 3.48Å; F11-W37 HydrophobicContact CB-CH2 3.56Å; F11-W37 HydrophobicContact CB-CZ2 3.78Å; F11-W37 HydrophobicContact CB-CZ3 4.03Å; F11-W37 AromaticContact CD2-CE2 3.97Å; F11-W37 AromaticContact CD2-CZ2 3.96Å; F11-W37 HydrophobicContact CD2-CZ2 3.96Å; F11-W37 HydrophobicContact CG-CZ2 4.34Å; F11-M95 HydrophobicContact CB-CE 4.37Å; F11-M95 HydrophobicContact CD1-CE 4.29Å; F11-M95 HydrophobicContact CD2-CE 4.11Å; F11-M95 HydrophobicContact CG-CE 4Å
12	P	49.8	Very low	46	Very low	85 Å²	85	88 Å²	88	55%	0.552	48%	0.483	S	S	*	.			trans	-73.1	85.7	170.1	31.4	-32.2	0	0	0	107.8	A14	P12-A14 PolarHBondContact O-N 2.91Å
13	C	44.2	Very low	46.4	Very low	3 Å²	3	85 Å²	85	2%	0.02	47%	0.469	C	S	.	.			trans	-77.2	80.2	160.8	-172.1	0	0	0	0	108.5	F11 M24 W37 C71	F11-C13 VanDerWaalsContact C-N 3.25Å; F11-C13 PolarHBondContact O-N 2.97Å; C13-M24 HydrophobicContact CB-CE 3.7Å; C13-W37 HydrophobicContact CB-CZ3 4.13Å; C13-C71 HydrophobicContact CB-CB 3.96Å; C13-C71 WeakPolarHBondContact CB-SG 2.91Å; C13-C71 WeakPolarHBondContact SG-CB 3.03Å; C13-C71 CovalentContact SG-SG 2.05Å; C13-C71 PolarHBondContact SG-SG 2.89Å
14	A	45.1	Very low	46.8	Very low	22 Å²	22	83 Å²	83	18%	0.182	45%	0.451	C	S	.	.			trans	-87.4	119.7	163.6	0	0	0	0	0	107.1	P12 S16 A72	P12-A14 PolarHBondContact O-N 2.91Å; A14-S16 WeakPolarHBondContact CB-O 3.47Å; A14-S16 PolarHBondContact O-N 2.75Å; A14-A72 PolarHBondContact O-N 3.43Å
15	I	41.7	Very low	47.1	Very low	50 Å²	50	87.2 Å²	87.2	26%	0.256	46%	0.461	S	S	.	.	S	Bend	trans	-78.9	-6.8	175.5	-62.8	-175.1	0	0	0	112.6	Y50 L69 Q70	I15-Y50 HydrophobicContact CB-CD1 4.33Å; I15-Y50 HydrophobicContact CD1-CD1 3.08Å; I15-Y50 HydrophobicContact CD1-CD2 4.42Å; I15-Y50 HydrophobicContact CD1-CE1 3.42Å; I15-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I15-Y50 HydrophobicContact CD1-CG 3.65Å; I15-Y50 HydrophobicContact CG1-CD1 3.73Å; I15-Y50 HydrophobicContact CG1-CE1 3.79Å; I15-L69 HydrophobicContact CD1-CB 3.43Å; I15-L69 VanDerWaalsContact CD1-CB 3.43Å; I15-L69 HydrophobicContact CD1-CD1 3.71Å; I15-L69 HydrophobicContact CD1-CD2 3.27Å; I15-L69 HydrophobicContact CD1-CG 3.58Å; I15-L69 HydrophobicContact CG1-CB 4.11Å; I15-Q70 VanDerWaalsContact CA-O 3.27Å; I15-Q70 WeakPolarHBondContact CA-O 3.45Å
16	S	38.2	Very low	47.5	Very low	63 Å²	63	84 Å²	84	44%	0.441	44%	0.441	S	S	.	.	S	Bend	trans	-150	156.9	177.8	132.9	0	0	0	0	106	A14 T18	A14-S16 WeakPolarHBondContact CB-O 3.47Å; A14-S16 PolarHBondContact O-N 2.75Å; S16-T18 VanDerWaalsContact CB-OG1 3.31Å; S16-T18 WeakPolarHBondContact CB-OG1 3.27Å; S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact O-OG1 3.22Å; S16-T18 WeakPolarHBondContact OG-CB 3.43Å; S16-T18 WeakPolarHBondContact OG-CG2 3.11Å; S16-T18 PolarHBondContact OG-N 2.91Å; S16-T18 VanDerWaalsContact OG-N 3.16Å; S16-T18 PolarHBondContact OG-OG1 3.01Å
17	E	41.2	Very low	47.8	Very low	198 Å²	198	79.2 Å²	79.2	93%	0.925	42%	0.417	S	S	*	.	S	Bend	trans	-54.2	-4.8	173.2	-63	-177.5	112.5	0	0	113.5	P19	E17-P19 WeakPolarHBondContact O-CD 3.38Å; E17-P19 VanDerWaalsContact O-N 3.15Å
18	T	40.7	Very low	48.1	Very low	68 Å²	68	75.2 Å²	75.2	42%	0.417	40%	0.399	S	S	.	.			trans	-56.2	106.7	164.2	44.1	0	0	0	0	111.8	S16 S20	S16-T18 VanDerWaalsContact CB-OG1 3.31Å; S16-T18 WeakPolarHBondContact CB-OG1 3.27Å; S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact O-OG1 3.22Å; S16-T18 WeakPolarHBondContact OG-CB 3.43Å; S16-T18 WeakPolarHBondContact OG-CG2 3.11Å; S16-T18 PolarHBondContact OG-N 2.91Å; S16-T18 VanDerWaalsContact OG-N 3.16Å; S16-T18 PolarHBondContact OG-OG1 3.01Å; T18-S20 PolarHBondContact O-N 3.5Å; T18-S20 VanDerWaalsContact O-N 3.14Å
19	P	42.9	Very low	48.5	Very low	122 Å²	122	74.5 Å²	74.5	79%	0.792	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.4	-177.2	32.1	-33.7	0	0	0	113.3	E17	E17-P19 WeakPolarHBondContact O-CD 3.38Å; E17-P19 VanDerWaalsContact O-N 3.15Å
20	S	42.8	Very low	48.7	Very low	105 Å²	105	76.7 Å²	76.7	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.8	-172.4	-38.7	0	0	0	0	114.5	T18 E22	T18-S20 PolarHBondContact O-N 3.5Å; T18-S20 VanDerWaalsContact O-N 3.14Å; S20-E22 PolarHBondContact O-N 2.81Å
21	V	47.5	Very low	48.9	Very low	29 Å²	29	75.4 Å²	75.4	18%	0.176	40%	0.395	C	S	.	.	S	Bend	trans	-74.4	122.9	178.5	-169.7	0	0	0	0	107.9	Q23 Y50	V21-Q23 PolarHBondContact O-N 2.99Å; V21-Y50 HydrophobicContact CG1-CE1 4.13Å
22	E	48	Very low	49.5	Very low	133 Å²	133	83.7 Å²	83.7	62%	0.621	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-51.4	130.9	178	-71.1	-172.1	125.7	0	0	110	S20 M24 H45	S20-E22 PolarHBondContact O-N 2.81Å; E22-M24 PolarHBondContact O-N 3.49Å; E22-M24 VanDerWaalsContact O-N 3.11Å; E22-H45 IonicContact OE2-CE1 3.03Å; E22-H45 PolarHBondContact OE2-CE1 2.67Å; E22-H45 IonicContact OE2-ND1 2.67Å
23	Q	51.2	Low	49.8	Very low	131 Å²	131	82.9 Å²	82.9	61%	0.612	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-64.4	116.6	177.6	-66.3	-179.5	8.8	0	0	108.8	V21	V21-Q23 PolarHBondContact O-N 2.99Å
24	M	53.7	Low	50.3	Low	7 Å²	7	84.1 Å²	84.1	3%	0.034	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.6	175.6	-75.2	-168.7	-56.2	0	0	111.4	C13 E22 W37 V39 A41 Y50 F93	C13-M24 HydrophobicContact CB-CE 3.7Å; E22-M24 PolarHBondContact O-N 3.49Å; E22-M24 VanDerWaalsContact O-N 3.11Å; M24-W37 HydrophobicContact CB-CH2 4.02Å; M24-W37 HydrophobicContact CE-CZ3 4.28Å; M24-W37 WeakPolarHBondContact O-CH2 3.21Å; M24-W37 WeakPolarHBondContact O-CZ2 3.19Å; M24-V39 HydrophobicContact CB-CG1 3.71Å; M24-V39 HydrophobicContact CG-CG1 4.13Å; M24-V39 HydrophobicContact SD-CG1 3.79Å; M24-A41 HydrophobicContact SD-CB 4.21Å; M24-Y50 WeakPolarHBondContact CE-OH 3.37Å; M24-Y50 PolarHBondContact SD-OH 2.67Å; M24-F93 HydrophobicContact CE-CD1 4.13Å; M24-F93 HydrophobicContact CE-CE1 3.39Å; M24-F93 HydrophobicContact CE-CZ 3.62Å; M24-F93 HydrophobicContact SD-CE1 3.91Å; M24-F93 HydrophobicContact SD-CE2 4.24Å; M24-F93 HydrophobicContact SD-CZ 3.46Å; M24-F93 WeakPolarHBondContact SD-CZ 3.26Å
25	R	54	Low	50.7	Low	163 Å²	163	86.6 Å²	86.6	62%	0.615	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.1	173.9	-63.3	-164.1	175	172.1	3.2	110.5	N10 V39	N10-R25 WeakPolarHBondContact OD1-CG 3.46Å; N10-R25 PolarHBondContact OD1-NE 3.25Å; R25-V39 WeakPolarHBondContact O-CG1 3.14Å
26	G	56.5	Low	51.3	Low	4 Å²	4	84.5 Å²	84.5	4%	0.041	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	174.5	173.9	0	0	0	0	0	113.1	Q9 W37 H38	Q9-G26 PolarHBondContact N-O 3.01Å; G26-W37 PolarHBondContact O-NE1 2.86Å; G26-H38 CarbonylContact C-O 3.17Å; G26-H38 WeakPolarHBondContact CA-O 3.46Å
27	T	55.9	Low	52.1	Low	28 Å²	28	81.5 Å²	81.5	17%	0.172	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130	177.7	52.4	0	0	0	0	109.8	Q8 W37 H38	Q8-T27 HydrophobicContact CG-CG2 3.88Å; T27-W37 CarbonylContact O-C 3.41Å; T27-W37 WeakPolarHBondContact O-CA 3.25Å; T27-H38 PolarHBondContact N-O 2.72Å; T27-H38 PolarHBondContact O-N 3.48Å
28	I	55.4	Low	52.7	Low	21 Å²	21	72.8 Å²	72.8	11%	0.108	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.2	174	-66	168.5	0	0	0	108.5	F11 I35 V36 W37	F11-I28 HydrophobicContact CD2-CD1 4.43Å; F11-I28 HydrophobicContact CE2-CD1 3.29Å; F11-I28 HydrophobicContact CE2-CG1 4.01Å; F11-I28 HydrophobicContact CZ-CD1 3.48Å; F11-I28 VanDerWaalsContact CZ-CD1 3.48Å; I28-I35 HydrophobicContact CG2-CG2 3.49Å; I28-I35 VanDerWaalsContact CG2-CG2 3.49Å; I28-V36 CarbonylContact C-O 3.51Å; I28-V36 WeakPolarHBondContact CA-O 3.12Å; I28-W37 HydrophobicContact CG1-CG 4.46Å
29	R	57.6	Low	53.3	Low	120 Å²	120	69.6 Å²	69.6	45%	0.453	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.6	171.3	-61.1	-171.8	179.4	-171.1	-3.6	109	E31 V36	R29-E31 HydrophobicContact CB-CG 4.32Å; R29-V36 PolarHBondContact N-O 2.88Å; R29-V36 WeakPolarHBondContact O-CA 3.49Å; R29-V36 PolarHBondContact O-N 3.16Å
30	N	55.2	Low	53.8	Low	109 Å²	109	67.4 Å²	67.4	58%	0.583	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.3	163.9	-173.5	-21.1	0	0	0	107.6	G33 T34	N30-G33 VanDerWaalsContact OD1-CA 3.24Å; N30-G33 WeakPolarHBondContact OD1-CA 3.35Å; N30-G33 PolarHBondContact OD1-N 2.77Å; N30-T34 CarbonylContact C-O 3.54Å; N30-T34 WeakPolarHBondContact CA-O 3.37Å; N30-T34 PolarHBondContact OD1-N 3.34Å; N30-T34 PolarHBondContact OD1-O 3.23Å
31	E	56.3	Low	54.3	Low	63 Å²	63	62.7 Å²	62.7	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.4	173.4	-55.9	-176.1	179.7	0	0	108.5	R29 G33 T34 V36 H38	R29-E31 HydrophobicContact CB-CG 4.32Å; E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.46Å; E31-T34 PolarHBondContact N-O 2.8Å; E31-T34 WeakPolarHBondContact O-CB 3.38Å; E31-T34 PolarHBondContact O-N 3.14Å; E31-V36 HydrophobicContact CB-CB 4.47Å; E31-V36 HydrophobicContact CB-CG2 3.63Å; E31-V36 HydrophobicContact CG-CB 4Å; E31-V36 HydrophobicContact CG-CG2 3.7Å; E31-H38 IonicContact OE1-CD2 2.81Å; E31-H38 IonicContact OE1-CE1 3.68Å; E31-H38 PolarHBondContact OE1-CE1 2.88Å; E31-H38 IonicContact OE1-NE2 3.81Å; E31-H38 PolarHBondContact OE1-NE2 3.16Å
32	Y	61.9	Low	54.6	Low	234 Å²	234	63.3 Å²	63.3	92%	0.918	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	39.6	174.7	-48.2	-75.9	0	0	0	113.7	T34	Y32-T34 PolarHBondContact O-N 2.72Å
33	G	56.8	Low	54.9	Low	68 Å²	68	58.7 Å²	58.7	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	0.2	-178.7	0	0	0	0	0	114.1	N30 E31	N30-G33 VanDerWaalsContact OD1-CA 3.24Å; N30-G33 WeakPolarHBondContact OD1-CA 3.35Å; N30-G33 PolarHBondContact OD1-N 2.77Å; E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.46Å
34	T	52.9	Low	55.1	Low	29 Å²	29	57.9 Å²	57.9	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.2	172.4	-50	0	0	0	0	110.3	N30 E31 Y32 V36 R94 V96	N30-T34 CarbonylContact C-O 3.54Å; N30-T34 WeakPolarHBondContact CA-O 3.37Å; N30-T34 PolarHBondContact OD1-N 3.34Å; N30-T34 PolarHBondContact OD1-O 3.23Å; E31-T34 PolarHBondContact N-O 2.8Å; E31-T34 WeakPolarHBondContact O-CB 3.38Å; E31-T34 PolarHBondContact O-N 3.14Å; Y32-T34 PolarHBondContact O-N 2.72Å; T34-V36 HydrophobicContact CG2-CG2 4.45Å; T34-V36 PolarHBondContact O-N 2.98Å; T34-R94 HydrophobicContact CG2-CG 4.39Å; T34-R94 VanDerWaalsContact CG2-NE 3.3Å; T34-R94 PolarHBondContact OG1-NH2 2.05Å; T34-V96 HydrophobicContact CG2-CG2 3.98Å
35	I	54.5	Low	55.4	Low	73 Å²	73	59.9 Å²	59.9	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.4	169.5	-59.7	179.9	0	0	0	108	I28 M95	I28-I35 HydrophobicContact CG2-CG2 3.49Å; I28-I35 VanDerWaalsContact CG2-CG2 3.49Å; I35-M95 CarbonylContact O-C 3.55Å
36	V	54.4	Low	55.5	Low	6 Å²	6	52.2 Å²	52.2	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.1	-178.5	-172.3	0	0	0	0	107.5	I28 R29 E31 T34 F93 R94	I28-V36 CarbonylContact C-O 3.51Å; I28-V36 WeakPolarHBondContact CA-O 3.12Å; R29-V36 PolarHBondContact N-O 2.88Å; R29-V36 WeakPolarHBondContact O-CA 3.49Å; R29-V36 PolarHBondContact O-N 3.16Å; E31-V36 HydrophobicContact CB-CB 4.47Å; E31-V36 HydrophobicContact CB-CG2 3.63Å; E31-V36 HydrophobicContact CG-CB 4Å; E31-V36 HydrophobicContact CG-CG2 3.7Å; T34-V36 HydrophobicContact CG2-CG2 4.45Å; T34-V36 PolarHBondContact O-N 2.98Å; V36-F93 VanDerWaalsContact CG1-O 3.23Å; V36-F93 WeakPolarHBondContact CG1-O 3.16Å; V36-R94 HydrophobicContact CB-CG 4.44Å; V36-R94 HydrophobicContact CG1-CB 4.11Å; V36-R94 HydrophobicContact CG1-CG 4.19Å; V36-R94 HydrophobicContact CG2-CG 4Å
37	W	53.8	Low	55.5	Low	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	105.7	-174.7	-174.1	40.2	0	0	0	112.7	F11 C13 M24 G26 T27 I28 V39 F93 M95	F11-W37 HydrophobicContact CB-CH2 3.56Å; F11-W37 HydrophobicContact CB-CZ2 3.78Å; F11-W37 HydrophobicContact CB-CZ3 4.03Å; F11-W37 AromaticContact CD2-CE2 3.97Å; F11-W37 AromaticContact CD2-CZ2 3.96Å; F11-W37 HydrophobicContact CD2-CZ2 3.96Å; F11-W37 HydrophobicContact CG-CZ2 4.34Å; C13-W37 HydrophobicContact CB-CZ3 4.13Å; M24-W37 HydrophobicContact CB-CH2 4.02Å; M24-W37 HydrophobicContact CE-CZ3 4.28Å; M24-W37 WeakPolarHBondContact O-CH2 3.21Å; M24-W37 WeakPolarHBondContact O-CZ2 3.19Å; G26-W37 PolarHBondContact O-NE1 2.86Å; T27-W37 CarbonylContact O-C 3.41Å; T27-W37 WeakPolarHBondContact O-CA 3.25Å; I28-W37 HydrophobicContact CG1-CG 4.46Å; W37-V39 HydrophobicContact CD2-CG2 3.36Å; W37-V39 HydrophobicContact CE3-CG2 3.57Å; W37-V39 HydrophobicContact CG-CG2 4.04Å; W37-V39 HydrophobicContact CH2-CG2 3.65Å; W37-V39 HydrophobicContact CZ2-CG2 3.46Å; W37-V39 VanDerWaalsContact CZ2-CG2 3.46Å; W37-V39 HydrophobicContact CZ3-CG2 3.72Å; W37-V39 PolarHBondContact O-N 2.75Å; W37-F93 CarbonylContact C-O 3.56Å; W37-F93 VanDerWaalsContact CA-O 3.31Å; W37-F93 WeakPolarHBondContact CA-O 2.88Å; W37-F93 HydrophobicContact CB-CB 4.47Å; W37-F93 HydrophobicContact CE3-CB 4.44Å; W37-F93 PolarHBondContact N-O 2.7Å; W37-F93 CarbonylContact O-C 3.45Å; W37-F93 WeakPolarHBondContact O-CA 3.14Å; W37-F93 WeakPolarHBondContact O-CB 3.25Å; W37-F93 PolarHBondContact O-N 3.42Å; W37-M95 HydrophobicContact CB-CB 4.29Å; W37-M95 HydrophobicContact CB-CE 3.71Å; W37-M95 HydrophobicContact CB-CG 4.22Å; W37-M95 HydrophobicContact CD2-CE 3.4Å; W37-M95 HydrophobicContact CD2-SD 4.49Å; W37-M95 HydrophobicContact CE3-CE 3.3Å; W37-M95 HydrophobicContact CE3-CG 4.16Å; W37-M95 HydrophobicContact CE3-SD 3.82Å; W37-M95 HydrophobicContact CG-CE 3.59Å; W37-M95 HydrophobicContact CZ3-CE 4.05Å; W37-M95 HydrophobicContact CZ3-SD 4.34Å
38	H	54.1	Low	55.6	Low	16 Å²	16	58.2 Å²	58.2	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.1	-177.3	-61.2	-104	0	0	0	110	G26 T27 E31 R92	G26-H38 CarbonylContact C-O 3.17Å; G26-H38 WeakPolarHBondContact CA-O 3.46Å; T27-H38 PolarHBondContact N-O 2.72Å; T27-H38 PolarHBondContact O-N 3.48Å; E31-H38 IonicContact OE1-CD2 2.81Å; E31-H38 IonicContact OE1-CE1 3.68Å; E31-H38 PolarHBondContact OE1-CE1 2.88Å; E31-H38 IonicContact OE1-NE2 3.81Å; E31-H38 PolarHBondContact OE1-NE2 3.16Å; H38-R92 VanDerWaalsContact ND1-CG 3.33Å; H38-R92 WeakPolarHBondContact ND1-CG 2.94Å
39	V	53.6	Low	55.6	Low	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.5	179.8	171.2	0	0	0	0	108.4	M24 R25 W37 A41 S91 F93	M24-V39 HydrophobicContact CB-CG1 3.71Å; M24-V39 HydrophobicContact CG-CG1 4.13Å; M24-V39 HydrophobicContact SD-CG1 3.79Å; R25-V39 WeakPolarHBondContact O-CG1 3.14Å; W37-V39 HydrophobicContact CD2-CG2 3.36Å; W37-V39 HydrophobicContact CE3-CG2 3.57Å; W37-V39 HydrophobicContact CG-CG2 4.04Å; W37-V39 HydrophobicContact CH2-CG2 3.65Å; W37-V39 HydrophobicContact CZ2-CG2 3.46Å; W37-V39 VanDerWaalsContact CZ2-CG2 3.46Å; W37-V39 HydrophobicContact CZ3-CG2 3.72Å; W37-V39 PolarHBondContact O-N 2.75Å; V39-A41 HydrophobicContact CG1-CB 4.12Å; V39-A41 PolarHBondContact O-N 2.74Å; V39-S91 CarbonylContact C-O 3.05Å; V39-S91 PolarHBondContact N-O 3.3Å; V39-S91 CarbonylContact O-C 3.49Å; V39-S91 VanDerWaalsContact O-CB 3.3Å; V39-S91 WeakPolarHBondContact O-CB 3.22Å; V39-F93 HydrophobicContact CB-CD2 3.41Å; V39-F93 VanDerWaalsContact CB-CD2 3.41Å; V39-F93 HydrophobicContact CB-CE2 3.42Å; V39-F93 VanDerWaalsContact CB-CE2 3.42Å; V39-F93 HydrophobicContact CB-CG 4.29Å; V39-F93 HydrophobicContact CB-CZ 4.31Å; V39-F93 HydrophobicContact CG1-CD2 4.27Å; V39-F93 HydrophobicContact CG1-CE2 3.77Å; V39-F93 HydrophobicContact CG1-CZ 4.32Å; V39-F93 HydrophobicContact CG2-CD2 3.78Å; V39-F93 HydrophobicContact CG2-CE2 4.11Å; V39-F93 HydrophobicContact CG2-CG 4.17Å
40	A	53.5	Low	55.3	Low	75 Å²	75	53.7 Å²	53.7	62%	0.62	29%	0.289	S	S	*	.			trans	-72	105.6	169.4	0	0	0	0	0	109.3	V90	A40-V90 HydrophobicContact CB-CG1 4.4Å
41	A	54.5	Low	55.1	Low	6 Å²	6	57.6 Å²	57.6	5%	0.05	30%	0.301	C	S	.	.			trans	-137.5	131.7	174.7	0	0	0	0	0	109.1	M24 V39 I46 F89 F93	M24-A41 HydrophobicContact SD-CB 4.21Å; V39-A41 HydrophobicContact CG1-CB 4.12Å; V39-A41 PolarHBondContact O-N 2.74Å; A41-I46 HydrophobicContact CB-CD1 3.88Å; A41-I46 HydrophobicContact CB-CG1 3.89Å; A41-F89 CarbonylContact C-O 3.46Å; A41-F89 VanDerWaalsContact O-CD1 3.22Å; A41-F89 WeakPolarHBondContact O-CD1 3.4Å; A41-F89 VanDerWaalsContact O-O 3.1Å; A41-F93 HydrophobicContact CB-CE2 4.41Å; A41-F93 HydrophobicContact CB-CZ 4.47Å
42	S	52.8	Low	54.6	Low	42 Å²	42	61.9 Å²	61.9	29%	0.294	32%	0.318	S	S	.	.			trans	-66.1	149.6	175.5	73.7	0	0	0	0	110.2	Q44 H45 I46	S42-Q44 PolarHBondContact O-N 3.22Å; S42-H45 WeakPolarHBondContact O-CB 3.43Å; S42-H45 PolarHBondContact O-N 3.24Å; S42-H45 VanDerWaalsContact OG-CB 3.26Å; S42-H45 WeakPolarHBondContact OG-CB 3.23Å; S42-H45 PolarHBondContact OG-N 3.24Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.1Å
43	R	53.7	Low	53.9	Low	37 Å²	37	56.1 Å²	56.1	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-35.8	179.8	-171.4	175.7	171	-179	-13.2	111.1	I46 Y47 E63 F89	R43-I46 WeakPolarHBondContact O-CB 3.31Å; R43-I46 PolarHBondContact O-N 2.69Å; R43-Y47 HydrophobicContact CG-CD2 3.9Å; R43-Y47 HydrophobicContact CG-CE2 3.51Å; R43-Y47 VanDerWaalsContact NE-CE2 3.27Å; R43-Y47 PolarHBondContact NE-OH 2.72Å; R43-Y47 VanDerWaalsContact NE-OH 3.15Å; R43-Y47 PolarHBondContact NH2-OH 3.46Å; R43-Y47 WeakPolarHBondContact O-CD2 3.5Å; R43-Y47 PolarHBondContact O-N 2.94Å; R43-E63 IonicContact CZ-OE1 3.76Å; R43-E63 IonicContact CZ-OE2 3.33Å; R43-E63 IonicContact NH1-OE1 3.05Å; R43-E63 IonicContact NH1-OE2 2.72Å; R43-E63 PolarHBondContact NH1-OE2 2.98Å; R43-E63 IonicContact NH2-OE1 3.67Å; R43-E63 PolarHBondContact NH2-OE1 3.07Å; R43-E63 IonicContact NH2-OE2 3.17Å; R43-E63 PolarHBondContact NH2-OE2 3.2Å; R43-F89 HydrophobicContact CB-CD1 3.99Å
44	Q	56.7	Low	53.5	Low	113 Å²	113	53 Å²	53	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-39.6	174.5	-172	158	30.5	0	0	112.4	S42 I46 Y47 N48	S42-Q44 PolarHBondContact O-N 3.22Å; Q44-I46 VanDerWaalsContact C-N 3.29Å; Q44-I46 PolarHBondContact O-N 3.33Å; Q44-Y47 PolarHBondContact O-N 3.3Å; Q44-N48 VanDerWaalsContact O-CB 3.25Å; Q44-N48 WeakPolarHBondContact O-CB 3.5Å; Q44-N48 PolarHBondContact O-N 2.77Å; Q44-N48 PolarHBondContact O-ND2 2.97Å
45	H	58.8	Low	53.4	Low	49 Å²	49	53.6 Å²	53.6	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-41.2	172.8	177.6	80.1	0	0	0	111	E22 S42 N48 S49	E22-H45 IonicContact OE2-CE1 3.03Å; E22-H45 PolarHBondContact OE2-CE1 2.67Å; E22-H45 IonicContact OE2-ND1 2.67Å; S42-H45 WeakPolarHBondContact O-CB 3.43Å; S42-H45 PolarHBondContact O-N 3.24Å; S42-H45 VanDerWaalsContact OG-CB 3.26Å; S42-H45 WeakPolarHBondContact OG-CB 3.23Å; S42-H45 PolarHBondContact OG-N 3.24Å; H45-N48 PolarHBondContact O-N 3.03Å; H45-S49 PolarHBondContact CE1-OG 3.34Å; H45-S49 WeakPolarHBondContact O-CB 3.01Å; H45-S49 PolarHBondContact O-N 2.81Å; H45-S49 PolarHBondContact O-OG 3.27Å
46	I	57.7	Low	53.3	Low	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-51.3	174.4	-70.6	158.8	0	0	0	110	A41 S42 R43 Q44 N48 S49 Y50 I54 I78 F89 S91 F93	A41-I46 HydrophobicContact CB-CD1 3.88Å; A41-I46 HydrophobicContact CB-CG1 3.89Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.1Å; R43-I46 WeakPolarHBondContact O-CB 3.31Å; R43-I46 PolarHBondContact O-N 2.69Å; Q44-I46 VanDerWaalsContact C-N 3.29Å; Q44-I46 PolarHBondContact O-N 3.33Å; I46-N48 PolarHBondContact O-N 3.41Å; I46-S49 PolarHBondContact O-N 2.72Å; I46-Y50 HydrophobicContact CB-CD2 4.11Å; I46-Y50 HydrophobicContact CB-CE2 3.99Å; I46-Y50 HydrophobicContact CG1-CE2 4.01Å; I46-Y50 HydrophobicContact CG2-CD2 3.68Å; I46-Y50 HydrophobicContact CG2-CE2 3.83Å; I46-Y50 WeakPolarHBondContact O-CB 3.36Å; I46-Y50 WeakPolarHBondContact O-CD2 3.31Å; I46-Y50 PolarHBondContact O-N 2.78Å; I46-I54 HydrophobicContact CB-CD1 4.42Å; I46-I54 HydrophobicContact CG2-CD1 3.37Å; I46-I54 HydrophobicContact CG2-CG2 4.2Å; I46-I54 WeakPolarHBondContact O-CD1 3.47Å; I46-I78 HydrophobicContact CD1-CD1 3.91Å; I46-I78 HydrophobicContact CD1-CG2 4.42Å; I46-I78 HydrophobicContact CG1-CD1 4.06Å; I46-I78 HydrophobicContact CG2-CD1 3.74Å; I46-F89 HydrophobicContact CD1-CD1 4.16Å; I46-F89 HydrophobicContact CD1-CE1 3.88Å; I46-S91 WeakPolarHBondContact CD1-OG 3.41Å; I46-F93 HydrophobicContact CD1-CZ 4.42Å; I46-F93 HydrophobicContact CG1-CZ 4.46Å
47	Y	55.6	Low	53.2	Low	50 Å²	50	56 Å²	56	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-48.7	175.8	-80.9	-61.8	0	0	0	113.7	R43 Q44 S49 K51 I54 V55	R43-Y47 HydrophobicContact CG-CD2 3.9Å; R43-Y47 HydrophobicContact CG-CE2 3.51Å; R43-Y47 VanDerWaalsContact NE-CE2 3.27Å; R43-Y47 PolarHBondContact NE-OH 2.72Å; R43-Y47 VanDerWaalsContact NE-OH 3.15Å; R43-Y47 PolarHBondContact NH2-OH 3.46Å; R43-Y47 WeakPolarHBondContact O-CD2 3.5Å; R43-Y47 PolarHBondContact O-N 2.94Å; Q44-Y47 PolarHBondContact O-N 3.3Å; Y47-S49 VanDerWaalsContact C-N 3.33Å; Y47-S49 PolarHBondContact O-N 3.11Å; Y47-K51 PolarHBondContact O-N 3Å; Y47-I54 HydrophobicContact CD1-CB 4.04Å; Y47-I54 HydrophobicContact CD1-CD1 4Å; Y47-I54 HydrophobicContact CD1-CG1 4.32Å; Y47-I54 HydrophobicContact CE1-CB 3.6Å; Y47-I54 HydrophobicContact CE1-CD1 4.41Å; Y47-I54 HydrophobicContact CE1-CG1 4.36Å; Y47-I54 HydrophobicContact CG-CD1 4.48Å; Y47-V55 HydrophobicContact CE1-CG2 4.08Å; Y47-V55 WeakPolarHBondContact OH-CG2 3.48Å
48	N	57	Low	53.3	Low	107 Å²	107	58.3 Å²	58.3	57%	0.572	32%	0.316	S	S	*	.	H	α-helix	trans	-66.5	-38.4	-176.8	-70.9	-11.7	0	0	0	111.4	Q44 H45 I46	Q44-N48 VanDerWaalsContact O-CB 3.25Å; Q44-N48 WeakPolarHBondContact O-CB 3.5Å; Q44-N48 PolarHBondContact O-N 2.77Å; Q44-N48 PolarHBondContact O-ND2 2.97Å; H45-N48 PolarHBondContact O-N 3.03Å; I46-N48 PolarHBondContact O-N 3.41Å
49	S	55.6	Low	53.5	Low	27 Å²	27	64 Å²	64	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-74.4	-37.2	-178.6	-62.4	0	0	0	0	112.3	H45 I46 Y47	H45-S49 PolarHBondContact CE1-OG 3.34Å; H45-S49 WeakPolarHBondContact O-CB 3.01Å; H45-S49 PolarHBondContact O-N 2.81Å; H45-S49 PolarHBondContact O-OG 3.27Å; I46-S49 PolarHBondContact O-N 2.72Å; Y47-S49 VanDerWaalsContact C-N 3.33Å; Y47-S49 PolarHBondContact O-N 3.11Å
50	Y	52.1	Low	53.9	Low	19 Å²	19	71.4 Å²	71.4	8%	0.075	38%	0.383	C	S	.	.	H	α-helix	trans	-101.4	-9.3	-171.6	-52	-57.2	0	0	0	114.9	I15 V21 M24 I46 K52 I54 L69 I78	I15-Y50 HydrophobicContact CB-CD1 4.33Å; I15-Y50 HydrophobicContact CD1-CD1 3.08Å; I15-Y50 HydrophobicContact CD1-CD2 4.42Å; I15-Y50 HydrophobicContact CD1-CE1 3.42Å; I15-Y50 VanDerWaalsContact CD1-CE1 3.42Å; I15-Y50 HydrophobicContact CD1-CG 3.65Å; I15-Y50 HydrophobicContact CG1-CD1 3.73Å; I15-Y50 HydrophobicContact CG1-CE1 3.79Å; V21-Y50 HydrophobicContact CG1-CE1 4.13Å; M24-Y50 WeakPolarHBondContact CE-OH 3.37Å; M24-Y50 PolarHBondContact SD-OH 2.67Å; I46-Y50 HydrophobicContact CB-CD2 4.11Å; I46-Y50 HydrophobicContact CB-CE2 3.99Å; I46-Y50 HydrophobicContact CG1-CE2 4.01Å; I46-Y50 HydrophobicContact CG2-CD2 3.68Å; I46-Y50 HydrophobicContact CG2-CE2 3.83Å; I46-Y50 WeakPolarHBondContact O-CB 3.36Å; I46-Y50 WeakPolarHBondContact O-CD2 3.31Å; I46-Y50 PolarHBondContact O-N 2.78Å; Y50-K52 PolarHBondContact O-N 2.96Å; Y50-I54 HydrophobicContact CD2-CD1 3.83Å; Y50-I54 HydrophobicContact CG-CD1 4.31Å; Y50-L69 HydrophobicContact CD2-CD1 4.05Å; Y50-L69 HydrophobicContact CE1-CD1 4.38Å; Y50-L69 HydrophobicContact CE2-CD1 3.78Å; Y50-I78 HydrophobicContact CE2-CD1 4.5Å
51	K	50.4	Low	54.2	Low	192 Å²	192	70.2 Å²	70.2	84%	0.835	38%	0.379	S	S	*	.			trans	53	-10.8	171.2	-65.4	-169.7	177.5	-177.2	0	117.9	Y47	Y47-K51 PolarHBondContact O-N 3Å
52	K	46.5	Very low	54.6	Low	152 Å²	152	77.1 Å²	77.1	66%	0.661	40%	0.404	S	S	*	.	S	Bend	trans	-85.6	152.9	173.1	-71	-171.9	178.3	-178.9	0	109	Y50 I54	Y50-K52 PolarHBondContact O-N 2.96Å; K52-I54 VanDerWaalsContact C-N 3.31Å; K52-I54 WeakPolarHBondContact O-CG1 3.44Å; K52-I54 PolarHBondContact O-N 3.41Å
53	P	46.6	Very low	54.7	Low	114 Å²	114	78.6 Å²	78.6	74%	0.74	41%	0.406	S	S	*	.			trans	-63.9	97.6	170.3	26.4	-31.9	0	0	0	108	V55	P53-V55 PolarHBondContact O-N 3.01Å
54	I	49.6	Very low	54.9	Low	2 Å²	2	78.7 Å²	78.7	1%	0.01	41%	0.412	C	S	.	.			trans	-72.7	-11.3	179.4	-65.8	159.7	0	0	0	111.5	I46 Y47 Y50 K52 A56 I67 W80	I46-I54 HydrophobicContact CB-CD1 4.42Å; I46-I54 HydrophobicContact CG2-CD1 3.37Å; I46-I54 HydrophobicContact CG2-CG2 4.2Å; I46-I54 WeakPolarHBondContact O-CD1 3.47Å; Y47-I54 HydrophobicContact CD1-CB 4.04Å; Y47-I54 HydrophobicContact CD1-CD1 4Å; Y47-I54 HydrophobicContact CD1-CG1 4.32Å; Y47-I54 HydrophobicContact CE1-CB 3.6Å; Y47-I54 HydrophobicContact CE1-CD1 4.41Å; Y47-I54 HydrophobicContact CE1-CG1 4.36Å; Y47-I54 HydrophobicContact CG-CD1 4.48Å; Y50-I54 HydrophobicContact CD2-CD1 3.83Å; Y50-I54 HydrophobicContact CG-CD1 4.31Å; K52-I54 VanDerWaalsContact C-N 3.31Å; K52-I54 WeakPolarHBondContact O-CG1 3.44Å; K52-I54 PolarHBondContact O-N 3.41Å; I54-A56 PolarHBondContact O-N 2.73Å; I54-I67 HydrophobicContact CB-CD1 3.8Å; I54-I67 HydrophobicContact CG1-CD1 3.86Å; I54-I67 HydrophobicContact CG2-CB 3.82Å; I54-I67 HydrophobicContact CG2-CD1 3.59Å; I54-I67 HydrophobicContact CG2-CG1 4.28Å; I54-I67 HydrophobicContact CG2-CG2 3.46Å; I54-I67 VanDerWaalsContact CG2-CG2 3.46Å; I54-W80 HydrophobicContact CG2-CH2 3.79Å; I54-W80 HydrophobicContact CG2-CZ3 4.27Å
55	V	49.7	Very low	55	Low	42 Å²	42	76.1 Å²	76.1	26%	0.255	41%	0.406	S	S	.	.			trans	-71.5	84.7	168.6	-155.8	0	0	0	0	107.8	Y47 P53 V57 E63	Y47-V55 HydrophobicContact CE1-CG2 4.08Å; Y47-V55 WeakPolarHBondContact OH-CG2 3.48Å; P53-V55 PolarHBondContact O-N 3.01Å; V55-V57 VanDerWaalsContact C-N 3.25Å; V55-V57 HydrophobicContact CB-CG1 4.42Å; V55-V57 HydrophobicContact CG1-CG1 3.52Å; V55-V57 PolarHBondContact O-N 3.37Å; V55-E63 HydrophobicContact CG1-CB 3.81Å; V55-E63 HydrophobicContact CG1-CG 3.56Å
56	A	52.1	Low	54.9	Low	45 Å²	45	75.6 Å²	75.6	37%	0.372	41%	0.408	S	S	.	.			trans	-63	100.9	153.3	0	0	0	0	0	104.8	I54 S64	I54-A56 PolarHBondContact O-N 2.73Å; A56-S64 WeakPolarHBondContact O-CA 2.77Å; A56-S64 WeakPolarHBondContact O-CB 3.46Å; A56-S64 PolarHBondContact O-N 3.44Å; A56-S64 PolarHBondContact O-OG 3.3Å
57	V	52	Low	54.7	Low	83 Å²	83	76.7 Å²	76.7	50%	0.503	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-80	139	167.1	-70.9	0	0	0	0	107.9	V55 R62	V55-V57 VanDerWaalsContact C-N 3.25Å; V55-V57 HydrophobicContact CB-CG1 4.42Å; V55-V57 HydrophobicContact CG1-CG1 3.52Å; V55-V57 PolarHBondContact O-N 3.37Å; V57-R62 CarbonylContact C-O 3.57Å; V57-R62 VanDerWaalsContact CA-O 3.22Å; V57-R62 WeakPolarHBondContact CA-O 3.28Å
58	D	56.8	Low	54.6	Low	50 Å²	50	80.9 Å²	80.9	27%	0.267	44%	0.436	S	S	.	.			trans	-66.2	174.8	165.5	75	3.6	0	0	0	110.2	F60 G61 R62	D58-F60 PolarHBondContact O-N 2.85Å; D58-F60 VanDerWaalsContact OD1-CA 3.29Å; D58-F60 WeakPolarHBondContact OD1-CA 3.41Å; D58-F60 VanDerWaalsContact OD1-CB 3.31Å; D58-F60 WeakPolarHBondContact OD1-CB 3.33Å; D58-F60 PolarHBondContact OD1-N 2.93Å; D58-G61 PolarHBondContact O-N 3.46Å; D58-G61 PolarHBondContact OD1-N 3.31Å; D58-R62 PolarHBondContact N-O 2.8Å; D58-R62 WeakPolarHBondContact OD1-CB 3.15Å; D58-R62 PolarHBondContact OD1-N 3.48Å; D58-R62 IonicContact OD1-NE 2.85Å; D58-R62 IonicContact OD2-CZ 3.72Å; D58-R62 VanDerWaalsContact OD2-CZ 3.25Å; D58-R62 IonicContact OD2-NE 3.25Å; D58-R62 PolarHBondContact OD2-NE 3.17Å; D58-R62 IonicContact OD2-NH2 3.97Å; D58-R62 PolarHBondContact OD2-NH2 3.48Å
59	V	57.2	Low	54.5	Low	136 Å²	136	76.2 Å²	76.2	82%	0.824	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.1	178.4	-61.4	0	0	0	0	113.8
60	F	63.4	Low	54.2	Low	155 Å²	155	82.1 Å²	82.1	68%	0.68	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.5	177.7	-54	-75.8	0	0	0	112.6	D58 R62	D58-F60 PolarHBondContact O-N 2.85Å; D58-F60 VanDerWaalsContact OD1-CA 3.29Å; D58-F60 WeakPolarHBondContact OD1-CA 3.41Å; D58-F60 VanDerWaalsContact OD1-CB 3.31Å; D58-F60 WeakPolarHBondContact OD1-CB 3.33Å; D58-F60 PolarHBondContact OD1-N 2.93Å; F60-R62 HydrophobicContact CB-CG 4.41Å; F60-R62 PolarHBondContact O-N 3.04Å
61	G	60.1	Low	54.1	Low	51 Å²	51	81.9 Å²	81.9	53%	0.526	44%	0.436	S	S	.	.	S	Bend	trans	75.6	11	-178.1	0	0	0	0	0	113.7	D58	D58-G61 PolarHBondContact O-N 3.46Å; D58-G61 PolarHBondContact OD1-N 3.31Å
62	R	61.5	Low	54	Low	151 Å²	151	76.6 Å²	76.6	57%	0.57	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-84.4	133.6	177.6	-61.2	-179.8	-67.1	-171.8	-2	109.1	V57 D58 F60 S64	V57-R62 CarbonylContact C-O 3.57Å; V57-R62 VanDerWaalsContact CA-O 3.22Å; V57-R62 WeakPolarHBondContact CA-O 3.28Å; D58-R62 PolarHBondContact N-O 2.8Å; D58-R62 WeakPolarHBondContact OD1-CB 3.15Å; D58-R62 PolarHBondContact OD1-N 3.48Å; D58-R62 IonicContact OD1-NE 2.85Å; D58-R62 IonicContact OD2-CZ 3.72Å; D58-R62 VanDerWaalsContact OD2-CZ 3.25Å; D58-R62 IonicContact OD2-NE 3.25Å; D58-R62 PolarHBondContact OD2-NE 3.17Å; D58-R62 IonicContact OD2-NH2 3.97Å; D58-R62 PolarHBondContact OD2-NH2 3.48Å; F60-R62 HydrophobicContact CB-CG 4.41Å; F60-R62 PolarHBondContact O-N 3.04Å; R62-S64 PolarHBondContact O-N 2.85Å
63	E	56.5	Low	54	Low	73 Å²	73	80.3 Å²	80.3	34%	0.341	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-59.5	123.5	174.3	-48.6	-165.8	130.1	0	0	109.3	R43 V55 S65	R43-E63 IonicContact CZ-OE1 3.76Å; R43-E63 IonicContact CZ-OE2 3.33Å; R43-E63 IonicContact NH1-OE1 3.05Å; R43-E63 IonicContact NH1-OE2 2.72Å; R43-E63 PolarHBondContact NH1-OE2 2.98Å; R43-E63 IonicContact NH2-OE1 3.67Å; R43-E63 PolarHBondContact NH2-OE1 3.07Å; R43-E63 IonicContact NH2-OE2 3.17Å; R43-E63 PolarHBondContact NH2-OE2 3.2Å; V55-E63 HydrophobicContact CG1-CB 3.81Å; V55-E63 HydrophobicContact CG1-CG 3.56Å; E63-S65 PolarHBondContact O-N 3.48Å
64	S	56.7	Low	54.2	Low	39 Å²	39	75.4 Å²	75.4	27%	0.273	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-53.9	136.1	168	-80	0	0	0	0	108.1	A56 R62 S66 W80	A56-S64 WeakPolarHBondContact O-CA 2.77Å; A56-S64 WeakPolarHBondContact O-CB 3.46Å; A56-S64 PolarHBondContact O-N 3.44Å; A56-S64 PolarHBondContact O-OG 3.3Å; R62-S64 PolarHBondContact O-N 2.85Å; S64-S66 WeakPolarHBondContact CB-O 3.04Å; S64-S66 PolarHBondContact O-N 3.2Å; S64-W80 WeakPolarHBondContact O-CZ2 3.08Å; S64-W80 PolarHBondContact O-NE1 2.82Å
65	S	58.8	Low	54.4	Low	58 Å²	58	76.9 Å²	76.9	41%	0.406	42%	0.416	S	S	.	.	S	Bend	trans	-72.5	12.9	170.9	51	0	0	0	0	112.5	E63 H79 W80	E63-S65 PolarHBondContact O-N 3.48Å; S65-H79 CarbonylContact O-C 3.53Å; S65-H79 WeakPolarHBondContact O-CA 3.33Å; S65-W80 CarbonylContact C-O 3.54Å; S65-W80 WeakPolarHBondContact CA-O 3.34Å; S65-W80 WeakPolarHBondContact CB-O 3.22Å; S65-W80 PolarHBondContact O-N 2.82Å; S65-W80 VanDerWaalsContact O-O 3.1Å
66	S	57.6	Low	54.5	Low	38 Å²	38	74.9 Å²	74.9	27%	0.266	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	154	177.6	58	0	0	0	0	114.6	S64 I78 H79	S64-S66 WeakPolarHBondContact CB-O 3.04Å; S64-S66 PolarHBondContact O-N 3.2Å; S66-I78 CarbonylContact C-O 3.5Å; S66-I78 WeakPolarHBondContact CA-O 3.47Å; S66-I78 WeakPolarHBondContact CB-O 3.06Å; S66-H79 WeakPolarHBondContact CB-ND1 3.35Å
67	I	54	Low	54.8	Low	26 Å²	26	73.3 Å²	73.3	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.5	163.7	-171.2	157.3	0	0	0	110.9	I54 L69 T77 I78 W80	I54-I67 HydrophobicContact CB-CD1 3.8Å; I54-I67 HydrophobicContact CG1-CD1 3.86Å; I54-I67 HydrophobicContact CG2-CB 3.82Å; I54-I67 HydrophobicContact CG2-CD1 3.59Å; I54-I67 HydrophobicContact CG2-CG1 4.28Å; I54-I67 HydrophobicContact CG2-CG2 3.46Å; I54-I67 VanDerWaalsContact CG2-CG2 3.46Å; I67-L69 HydrophobicContact CD1-CD2 4.06Å; I67-L69 HydrophobicContact CG1-CD2 4.02Å; I67-L69 HydrophobicContact CG2-CD1 4.42Å; I67-L69 HydrophobicContact CG2-CD2 3.96Å; I67-L69 HydrophobicContact CG2-CG 4.05Å; I67-T77 CarbonylContact O-C 3.35Å; I67-T77 VanDerWaalsContact O-CA 3.28Å; I67-T77 WeakPolarHBondContact O-CA 2.72Å; I67-I78 HydrophobicContact CG2-CB 3.77Å; I67-I78 HydrophobicContact CG2-CD1 3.88Å; I67-I78 HydrophobicContact CG2-CG1 3.96Å; I67-I78 PolarHBondContact N-O 2.83Å; I67-I78 PolarHBondContact O-N 3.43Å; I67-W80 HydrophobicContact CB-CH2 3.99Å; I67-W80 HydrophobicContact CB-CZ3 4.05Å; I67-W80 HydrophobicContact CG2-CH2 4.18Å; I67-W80 HydrophobicContact CG2-CZ3 3.86Å
68	E	53.4	Low	55.1	Low	139 Å²	139	69.4 Å²	69.4	65%	0.65	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.3	166.9	-63.1	-169.9	150.2	0	0	110.9	T75 C76 T77	E68-T75 HydrophobicContact CB-CG2 4.29Å; E68-C76 CarbonylContact C-O 3.35Å; E68-C76 WeakPolarHBondContact CA-O 3.32Å; E68-T77 HydrophobicContact CG-CG2 3.84Å
69	L	53.9	Low	55.1	Low	8 Å²	8	70.9 Å²	70.9	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.4	-179.8	-62.2	178	0	0	0	107.5	I15 Y50 I67 C71 C76 I78 F93	I15-L69 HydrophobicContact CD1-CB 3.43Å; I15-L69 VanDerWaalsContact CD1-CB 3.43Å; I15-L69 HydrophobicContact CD1-CD1 3.71Å; I15-L69 HydrophobicContact CD1-CD2 3.27Å; I15-L69 HydrophobicContact CD1-CG 3.58Å; I15-L69 HydrophobicContact CG1-CB 4.11Å; Y50-L69 HydrophobicContact CD2-CD1 4.05Å; Y50-L69 HydrophobicContact CE1-CD1 4.38Å; Y50-L69 HydrophobicContact CE2-CD1 3.78Å; I67-L69 HydrophobicContact CD1-CD2 4.06Å; I67-L69 HydrophobicContact CG1-CD2 4.02Å; I67-L69 HydrophobicContact CG2-CD1 4.42Å; I67-L69 HydrophobicContact CG2-CD2 3.96Å; I67-L69 HydrophobicContact CG2-CG 4.05Å; L69-C71 PolarHBondContact O-N 3.2Å; L69-C76 HydrophobicContact CB-CB 3.95Å; L69-C76 WeakPolarHBondContact CB-O 2.88Å; L69-C76 PolarHBondContact N-O 2.89Å; L69-C76 WeakPolarHBondContact O-CA 3.44Å; L69-C76 WeakPolarHBondContact O-CB 3.08Å; L69-C76 PolarHBondContact O-N 3.15Å; L69-I78 HydrophobicContact CD1-CD1 3.29Å; L69-I78 HydrophobicContact CD1-CG1 3.7Å; L69-I78 HydrophobicContact CG-CD1 4.28Å; L69-I78 HydrophobicContact CG-CG1 4.39Å; L69-F93 HydrophobicContact CD1-CD1 4.49Å; L69-F93 HydrophobicContact CD1-CE1 3.91Å
70	Q	49.4	Very low	55.2	Low	151 Å²	151	64.9 Å²	64.9	71%	0.706	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	107.2	171.8	-68.8	-171.7	-23.6	0	0	108.5	I15	I15-Q70 VanDerWaalsContact CA-O 3.27Å; I15-Q70 WeakPolarHBondContact CA-O 3.45Å
71	C	49.3	Very low	54.8	Low	14 Å²	14	63.7 Å²	63.7	10%	0.095	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	157.4	166.5	-48.3	0	0	0	0	109	C13 L69 R73 A74 C76	C13-C71 HydrophobicContact CB-CB 3.96Å; C13-C71 WeakPolarHBondContact CB-SG 2.91Å; C13-C71 WeakPolarHBondContact SG-CB 3.03Å; C13-C71 CovalentContact SG-SG 2.05Å; C13-C71 PolarHBondContact SG-SG 2.89Å; L69-C71 PolarHBondContact O-N 3.2Å; C71-R73 PolarHBondContact O-N 2.97Å; C71-A74 CarbonylContact C-O 3.35Å; C71-A74 WeakPolarHBondContact CA-O 3.29Å; C71-A74 WeakPolarHBondContact CB-O 3.06Å; C71-A74 PolarHBondContact N-O 2.82Å; C71-A74 PolarHBondContact O-N 2.75Å; C71-A74 VanDerWaalsContact O-N 3.12Å; C71-C76 WeakPolarHBondContact SG-CB 3.2Å; C71-C76 PolarHBondContact SG-SG 2.93Å
72	A	48	Very low	54.4	Low	82 Å²	82	65.7 Å²	65.7	68%	0.678	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-24.7	-174.3	0	0	0	0	0	116.9	A14	A14-A72 PolarHBondContact O-N 3.43Å
73	R	48.5	Very low	54.1	Low	230 Å²	230	62.4 Å²	62.4	87%	0.868	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	4.4	178.5	-53.9	-174.5	87	169.3	6.4	114.8	C71	C71-R73 PolarHBondContact O-N 2.97Å
74	A	50.2	Low	53.9	Low	11 Å²	11	63.6 Å²	63.6	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	150.9	-174.8	0	0	0	0	0	111	C71 M95	C71-A74 CarbonylContact C-O 3.35Å; C71-A74 WeakPolarHBondContact CA-O 3.29Å; C71-A74 WeakPolarHBondContact CB-O 3.06Å; C71-A74 PolarHBondContact N-O 2.82Å; C71-A74 PolarHBondContact O-N 2.75Å; C71-A74 VanDerWaalsContact O-N 3.12Å; A74-M95 HydrophobicContact CB-CB 3.91Å; A74-M95 HydrophobicContact CB-CG 3.75Å; A74-M95 HydrophobicContact CB-SD 3.65Å
75	T	52.7	Low	53.6	Low	33 Å²	33	66.4 Å²	66.4	20%	0.202	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.9	167.3	-55.8	0	0	0	0	108.1	E68 R94 M95 V96	E68-T75 HydrophobicContact CB-CG2 4.29Å; T75-R94 CarbonylContact C-O 3.27Å; T75-M95 CarbonylContact O-C 3.38Å; T75-M95 WeakPolarHBondContact O-CA 3.01Å; T75-V96 PolarHBondContact N-O 2.8Å; T75-V96 PolarHBondContact O-N 2.72Å
76	C	52.8	Low	52.8	Low	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.2	179.8	-101.1	0	0	0	0	111.1	E68 L69 C71 F93 R94 M95	E68-C76 CarbonylContact C-O 3.35Å; E68-C76 WeakPolarHBondContact CA-O 3.32Å; L69-C76 HydrophobicContact CB-CB 3.95Å; L69-C76 WeakPolarHBondContact CB-O 2.88Å; L69-C76 PolarHBondContact N-O 2.89Å; L69-C76 WeakPolarHBondContact O-CA 3.44Å; L69-C76 WeakPolarHBondContact O-CB 3.08Å; L69-C76 PolarHBondContact O-N 3.15Å; C71-C76 WeakPolarHBondContact SG-CB 3.2Å; C71-C76 PolarHBondContact SG-SG 2.93Å; C76-F93 HydrophobicContact CB-CB 4.5Å; C76-F93 HydrophobicContact CB-CD1 3.95Å; C76-R94 CarbonylContact C-O 3.58Å; C76-R94 WeakPolarHBondContact CA-O 3.41Å; C76-M95 HydrophobicContact CB-CG 4.45Å; C76-M95 WeakPolarHBondContact SG-CG 3.48Å
77	T	58	Low	52	Low	12 Å²	12	74.3 Å²	74.3	7%	0.074	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109	171.5	-42.6	0	0	0	0	110.6	I67 E68 H79 F93 R94	I67-T77 CarbonylContact O-C 3.35Å; I67-T77 VanDerWaalsContact O-CA 3.28Å; I67-T77 WeakPolarHBondContact O-CA 2.72Å; E68-T77 HydrophobicContact CG-CG2 3.84Å; T77-H79 WeakPolarHBondContact CG2-NE2 3.19Å; T77-H79 PolarHBondContact O-CD2 2.85Å; T77-F93 CarbonylContact O-C 3.44Å; T77-F93 VanDerWaalsContact O-C 3.27Å; T77-F93 WeakPolarHBondContact O-CA 3.43Å; T77-R94 PolarHBondContact N-O 3.05Å; T77-R94 PolarHBondContact O-N 3.33Å
78	I	59.2	Low	51.2	Low	0 Å²	0	80 Å²	80	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.9	168.7	-56.7	-173.3	0	0	0	108.4	I46 Y50 S66 I67 L69 W80 F89 S91 R92 F93	I46-I78 HydrophobicContact CD1-CD1 3.91Å; I46-I78 HydrophobicContact CD1-CG2 4.42Å; I46-I78 HydrophobicContact CG1-CD1 4.06Å; I46-I78 HydrophobicContact CG2-CD1 3.74Å; Y50-I78 HydrophobicContact CE2-CD1 4.5Å; S66-I78 CarbonylContact C-O 3.5Å; S66-I78 WeakPolarHBondContact CA-O 3.47Å; S66-I78 WeakPolarHBondContact CB-O 3.06Å; I67-I78 HydrophobicContact CG2-CB 3.77Å; I67-I78 HydrophobicContact CG2-CD1 3.88Å; I67-I78 HydrophobicContact CG2-CG1 3.96Å; I67-I78 PolarHBondContact N-O 2.83Å; I67-I78 PolarHBondContact O-N 3.43Å; L69-I78 HydrophobicContact CD1-CD1 3.29Å; L69-I78 HydrophobicContact CD1-CG1 3.7Å; L69-I78 HydrophobicContact CG-CD1 4.28Å; L69-I78 HydrophobicContact CG-CG1 4.39Å; I78-W80 HydrophobicContact CB-CZ3 4.31Å; I78-W80 HydrophobicContact CG2-CE3 3.89Å; I78-W80 HydrophobicContact CG2-CZ3 4.05Å; I78-F89 HydrophobicContact CG2-CE1 4.39Å; I78-F89 HydrophobicContact CG2-CZ 4.38Å; I78-S91 VanDerWaalsContact CG2-OG 3.29Å; I78-S91 WeakPolarHBondContact CG2-OG 3.4Å; I78-R92 CarbonylContact C-O 3.56Å; I78-R92 WeakPolarHBondContact CA-O 3.45Å; I78-F93 HydrophobicContact CD1-CD1 4.05Å; I78-F93 HydrophobicContact CD1-CE1 3.3Å; I78-F93 HydrophobicContact CD1-CE2 4.17Å; I78-F93 HydrophobicContact CD1-CZ 3.38Å; I78-F93 HydrophobicContact CG1-CD1 3.48Å; I78-F93 VanDerWaalsContact CG1-CD1 3.48Å; I78-F93 HydrophobicContact CG1-CD2 4.24Å; I78-F93 HydrophobicContact CG1-CE1 3.29Å; I78-F93 HydrophobicContact CG1-CE2 4.1Å; I78-F93 HydrophobicContact CG1-CG 3.96Å; I78-F93 HydrophobicContact CG1-CZ 3.64Å
79	H	56.1	Low	50.6	Low	81 Å²	81	74 Å²	74	38%	0.375	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.8	167.6	-60.5	-91.3	0	0	0	111.9	S65 S66 T77 F89 R92	S65-H79 CarbonylContact O-C 3.53Å; S65-H79 WeakPolarHBondContact O-CA 3.33Å; S66-H79 WeakPolarHBondContact CB-ND1 3.35Å; T77-H79 WeakPolarHBondContact CG2-NE2 3.19Å; T77-H79 PolarHBondContact O-CD2 2.85Å; H79-F89 WeakPolarHBondContact O-CZ 3.3Å; H79-R92 PolarHBondContact N-O 3.49Å
80	W	59.1	Low	50	Low	11 Å²	11	77.9 Å²	77.9	4%	0.042	42%	0.419	C	S	.	.			trans	-135.8	152.2	168.8	58.2	99	0	0	0	112.2	I54 S64 S65 I67 I78 F89	I54-W80 HydrophobicContact CG2-CH2 3.79Å; I54-W80 HydrophobicContact CG2-CZ3 4.27Å; S64-W80 WeakPolarHBondContact O-CZ2 3.08Å; S64-W80 PolarHBondContact O-NE1 2.82Å; S65-W80 CarbonylContact C-O 3.54Å; S65-W80 WeakPolarHBondContact CA-O 3.34Å; S65-W80 WeakPolarHBondContact CB-O 3.22Å; S65-W80 PolarHBondContact O-N 2.82Å; S65-W80 VanDerWaalsContact O-O 3.1Å; I67-W80 HydrophobicContact CB-CH2 3.99Å; I67-W80 HydrophobicContact CB-CZ3 4.05Å; I67-W80 HydrophobicContact CG2-CH2 4.18Å; I67-W80 HydrophobicContact CG2-CZ3 3.86Å; I78-W80 HydrophobicContact CB-CZ3 4.31Å; I78-W80 HydrophobicContact CG2-CE3 3.89Å; I78-W80 HydrophobicContact CG2-CZ3 4.05Å; W80-F89 HydrophobicContact CB-CD2 4.29Å; W80-F89 HydrophobicContact CB-CE1 4.22Å; W80-F89 HydrophobicContact CB-CE2 3.24Å; W80-F89 HydrophobicContact CB-CZ 3.25Å; W80-F89 HydrophobicContact CG-CZ 4.31Å
81	H	54.4	Low	49.8	Very low	130 Å²	130	70.7 Å²	70.7	60%	0.602	39%	0.385	S	S	*	.			trans	-85.4	136.5	167.8	-66.4	-77.6	0	0	0	110.4	G83 E84	H81-G83 PolarHBondContact O-N 2.81Å; H81-E84 HydrophobicContact CB-CG 3.91Å; H81-E84 WeakPolarHBondContact CB-OE2 3.46Å; H81-E84 IonicContact CD2-OE1 2.7Å; H81-E84 IonicContact CD2-OE2 4Å; H81-E84 IonicContact CG-OE2 3.97Å; H81-E84 PolarHBondContact N-OE2 3.38Å; H81-E84 PolarHBondContact O-N 2.85Å
82	P	53.3	Low	49.6	Very low	92 Å²	92	77 Å²	77	60%	0.597	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	127.7	170.7	-21.9	32	0	0	0	110.4
83	G	54.2	Low	49.4	Very low	83 Å²	83	73.1 Å²	73.1	86%	0.856	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-0.4	178.1	0	0	0	0	0	116.4	H81	H81-G83 PolarHBondContact O-N 2.81Å
84	E	52.9	Low	49.2	Very low	97 Å²	97	66.8 Å²	66.8	45%	0.453	35%	0.351	S	S	.	.			trans	-67	138.7	170.5	-76.4	-177.4	129.3	0	0	111.7	H81 M86	H81-E84 HydrophobicContact CB-CG 3.91Å; H81-E84 WeakPolarHBondContact CB-OE2 3.46Å; H81-E84 IonicContact CD2-OE1 2.7Å; H81-E84 IonicContact CD2-OE2 4Å; H81-E84 IonicContact CG-OE2 3.97Å; H81-E84 PolarHBondContact N-OE2 3.38Å; H81-E84 PolarHBondContact O-N 2.85Å; E84-M86 PolarHBondContact O-N 3.24Å
85	D	49	Very low	48.9	Very low	98 Å²	98	67 Å²	67	52%	0.524	35%	0.35	S	S	.	.			trans	-59.2	133.3	179.9	-169.1	-47.5	0	0	0	110.9	Q87 N88	D85-Q87 PolarHBondContact O-N 3.03Å; D85-Q87 PolarHBondContact OD1-N 3.02Å; D85-N88 PolarHBondContact O-N 3.07Å
86	M	42.9	Very low	48.5	Very low	102 Å²	102	67.9 Å²	67.9	50%	0.502	36%	0.356	S	S	.	.	S	Bend	trans	-56.4	-26	-177.4	-65.1	-177.2	78.4	0	0	113.7	E84	E84-M86 PolarHBondContact O-N 3.24Å
87	Q	39.9	Very low	47.8	Very low	160 Å²	160	71.1 Å²	71.1	75%	0.748	37%	0.373	S	S	*	.	S	Bend	trans	-88.6	-35.5	-173.1	-67.4	-176.3	78.5	0	0	113.9	D85 F89	D85-Q87 PolarHBondContact O-N 3.03Å; D85-Q87 PolarHBondContact OD1-N 3.02Å; Q87-F89 PolarHBondContact O-N 2.99Å
88	N	38.4	Very low	46.9	Very low	146 Å²	146	77.1 Å²	77.1	78%	0.781	40%	0.404	S	S	*	.	S	Bend	trans	-103.8	38.4	-174.2	-75.7	-30	0	0	0	112.6	D85	D85-N88 PolarHBondContact O-N 3.07Å
89	F	41.1	Very low	46.1	Very low	12 Å²	12	89 Å²	89	5%	0.053	46%	0.456	C	S	.	.			trans	-88.4	116	-172.2	-174.5	-127.1	0	0	0	111.5	A41 R43 I46 I78 H79 W80 Q87 S91	A41-F89 CarbonylContact C-O 3.46Å; A41-F89 VanDerWaalsContact O-CD1 3.22Å; A41-F89 WeakPolarHBondContact O-CD1 3.4Å; A41-F89 VanDerWaalsContact O-O 3.1Å; R43-F89 HydrophobicContact CB-CD1 3.99Å; I46-F89 HydrophobicContact CD1-CD1 4.16Å; I46-F89 HydrophobicContact CD1-CE1 3.88Å; I78-F89 HydrophobicContact CG2-CE1 4.39Å; I78-F89 HydrophobicContact CG2-CZ 4.38Å; H79-F89 WeakPolarHBondContact O-CZ 3.3Å; W80-F89 HydrophobicContact CB-CD2 4.29Å; W80-F89 HydrophobicContact CB-CE1 4.22Å; W80-F89 HydrophobicContact CB-CE2 3.24Å; W80-F89 HydrophobicContact CB-CZ 3.25Å; W80-F89 HydrophobicContact CG-CZ 4.31Å; Q87-F89 PolarHBondContact O-N 2.99Å; F89-S91 WeakPolarHBondContact CD1-OG 3.31Å; F89-S91 WeakPolarHBondContact CE1-OG 3.29Å; F89-S91 WeakPolarHBondContact CZ-OG 3.45Å
90	V	40.1	Very low	45.6	Very low	91 Å²	91	89.4 Å²	89.4	55%	0.552	46%	0.46	S	S	*	.			trans	-98.8	93	167.6	-177	0	0	0	0	107.6	A40 R92	A40-V90 HydrophobicContact CB-CG1 4.4Å; V90-R92 PolarHBondContact O-N 3.27Å
91	S	44.9	Very low	44.8	Very low	0 Å²	0	93.5 Å²	93.5	0%	0	48%	0.482	C	S	.	.			trans	-58.9	136	168.1	-78.7	0	0	0	0	111.4	V39 I46 I78 F89	V39-S91 CarbonylContact C-O 3.05Å; V39-S91 PolarHBondContact N-O 3.3Å; V39-S91 CarbonylContact O-C 3.49Å; V39-S91 VanDerWaalsContact O-CB 3.3Å; V39-S91 WeakPolarHBondContact O-CB 3.22Å; I46-S91 WeakPolarHBondContact CD1-OG 3.41Å; I78-S91 VanDerWaalsContact CG2-OG 3.29Å; I78-S91 WeakPolarHBondContact CG2-OG 3.4Å; F89-S91 WeakPolarHBondContact CD1-OG 3.31Å; F89-S91 WeakPolarHBondContact CE1-OG 3.29Å; F89-S91 WeakPolarHBondContact CZ-OG 3.45Å
92	R	45.2	Very low	44.3	Very low	147 Å²	147	91.4 Å²	91.4	56%	0.555	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.2	163.6	-57.4	-175.5	179.9	177.4	4.9	106.2	H38 I78 H79 V90	H38-R92 VanDerWaalsContact ND1-CG 3.33Å; H38-R92 WeakPolarHBondContact ND1-CG 2.94Å; I78-R92 CarbonylContact C-O 3.56Å; I78-R92 WeakPolarHBondContact CA-O 3.45Å; H79-R92 PolarHBondContact N-O 3.49Å; V90-R92 PolarHBondContact O-N 3.27Å
93	F	45.6	Very low	43.8	Very low	0 Å²	0	91.4 Å²	91.4	0%	0	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.1	171.9	-60.6	-123.7	0	0	0	107.2	M24 V36 W37 V39 A41 I46 L69 C76 T77 I78	M24-F93 HydrophobicContact CE-CD1 4.13Å; M24-F93 HydrophobicContact CE-CE1 3.39Å; M24-F93 HydrophobicContact CE-CZ 3.62Å; M24-F93 HydrophobicContact SD-CE1 3.91Å; M24-F93 HydrophobicContact SD-CE2 4.24Å; M24-F93 HydrophobicContact SD-CZ 3.46Å; M24-F93 WeakPolarHBondContact SD-CZ 3.26Å; V36-F93 VanDerWaalsContact CG1-O 3.23Å; V36-F93 WeakPolarHBondContact CG1-O 3.16Å; W37-F93 CarbonylContact C-O 3.56Å; W37-F93 VanDerWaalsContact CA-O 3.31Å; W37-F93 WeakPolarHBondContact CA-O 2.88Å; W37-F93 HydrophobicContact CB-CB 4.47Å; W37-F93 HydrophobicContact CE3-CB 4.44Å; W37-F93 PolarHBondContact N-O 2.7Å; W37-F93 CarbonylContact O-C 3.45Å; W37-F93 WeakPolarHBondContact O-CA 3.14Å; W37-F93 WeakPolarHBondContact O-CB 3.25Å; W37-F93 PolarHBondContact O-N 3.42Å; V39-F93 HydrophobicContact CB-CD2 3.41Å; V39-F93 VanDerWaalsContact CB-CD2 3.41Å; V39-F93 HydrophobicContact CB-CE2 3.42Å; V39-F93 VanDerWaalsContact CB-CE2 3.42Å; V39-F93 HydrophobicContact CB-CG 4.29Å; V39-F93 HydrophobicContact CB-CZ 4.31Å; V39-F93 HydrophobicContact CG1-CD2 4.27Å; V39-F93 HydrophobicContact CG1-CE2 3.77Å; V39-F93 HydrophobicContact CG1-CZ 4.32Å; V39-F93 HydrophobicContact CG2-CD2 3.78Å; V39-F93 HydrophobicContact CG2-CE2 4.11Å; V39-F93 HydrophobicContact CG2-CG 4.17Å; A41-F93 HydrophobicContact CB-CE2 4.41Å; A41-F93 HydrophobicContact CB-CZ 4.47Å; I46-F93 HydrophobicContact CD1-CZ 4.42Å; I46-F93 HydrophobicContact CG1-CZ 4.46Å; L69-F93 HydrophobicContact CD1-CD1 4.49Å; L69-F93 HydrophobicContact CD1-CE1 3.91Å; C76-F93 HydrophobicContact CB-CB 4.5Å; C76-F93 HydrophobicContact CB-CD1 3.95Å; T77-F93 CarbonylContact O-C 3.44Å; T77-F93 VanDerWaalsContact O-C 3.27Å; T77-F93 WeakPolarHBondContact O-CA 3.43Å; I78-F93 HydrophobicContact CD1-CD1 4.05Å; I78-F93 HydrophobicContact CD1-CE1 3.3Å; I78-F93 HydrophobicContact CD1-CE2 4.17Å; I78-F93 HydrophobicContact CD1-CZ 3.38Å; I78-F93 HydrophobicContact CG1-CD1 3.48Å; I78-F93 VanDerWaalsContact CG1-CD1 3.48Å; I78-F93 HydrophobicContact CG1-CD2 4.24Å; I78-F93 HydrophobicContact CG1-CE1 3.29Å; I78-F93 HydrophobicContact CG1-CE2 4.1Å; I78-F93 HydrophobicContact CG1-CG 3.96Å; I78-F93 HydrophobicContact CG1-CZ 3.64Å
94	R	43.2	Very low	43.1	Very low	97 Å²	97	91.9 Å²	91.9	37%	0.366	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.7	170.1	-174.6	173.4	-175.4	-174.1	-0.1	107.6	T34 V36 T75 C76 T77 V96	T34-R94 HydrophobicContact CG2-CG 4.39Å; T34-R94 VanDerWaalsContact CG2-NE 3.3Å; T34-R94 PolarHBondContact OG1-NH2 2.05Å; V36-R94 HydrophobicContact CB-CG 4.44Å; V36-R94 HydrophobicContact CG1-CB 4.11Å; V36-R94 HydrophobicContact CG1-CG 4.19Å; V36-R94 HydrophobicContact CG2-CG 4Å; T75-R94 CarbonylContact C-O 3.27Å; C76-R94 CarbonylContact C-O 3.58Å; C76-R94 WeakPolarHBondContact CA-O 3.41Å; T77-R94 PolarHBondContact N-O 3.05Å; T77-R94 PolarHBondContact O-N 3.33Å; R94-V96 HydrophobicContact CG-CG2 3.93Å; R94-V96 PolarHBondContact O-N 3.47Å
95	M	43.3	Very low	42.5	Very low	14 Å²	14	91.6 Å²	91.6	7%	0.069	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	91.9	172.5	-84.7	-161.5	-64.7	0	0	110.5	F11 I35 W37 A74 T75 C76 N97	F11-M95 HydrophobicContact CB-CE 4.37Å; F11-M95 HydrophobicContact CD1-CE 4.29Å; F11-M95 HydrophobicContact CD2-CE 4.11Å; F11-M95 HydrophobicContact CG-CE 4Å; I35-M95 CarbonylContact O-C 3.55Å; W37-M95 HydrophobicContact CB-CB 4.29Å; W37-M95 HydrophobicContact CB-CE 3.71Å; W37-M95 HydrophobicContact CB-CG 4.22Å; W37-M95 HydrophobicContact CD2-CE 3.4Å; W37-M95 HydrophobicContact CD2-SD 4.49Å; W37-M95 HydrophobicContact CE3-CE 3.3Å; W37-M95 HydrophobicContact CE3-CG 4.16Å; W37-M95 HydrophobicContact CE3-SD 3.82Å; W37-M95 HydrophobicContact CG-CE 3.59Å; W37-M95 HydrophobicContact CZ3-CE 4.05Å; W37-M95 HydrophobicContact CZ3-SD 4.34Å; A74-M95 HydrophobicContact CB-CB 3.91Å; A74-M95 HydrophobicContact CB-CG 3.75Å; A74-M95 HydrophobicContact CB-SD 3.65Å; T75-M95 CarbonylContact O-C 3.38Å; T75-M95 WeakPolarHBondContact O-CA 3.01Å; C76-M95 HydrophobicContact CB-CG 4.45Å; C76-M95 WeakPolarHBondContact SG-CG 3.48Å; M95-N97 PolarHBondContact O-N 2.96Å
96	V	45.5	Very low	42	Very low	53 Å²	53	91.1 Å²	91.1	32%	0.321	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.7	168.5	-168.7	0	0	0	0	107.4	T34 T75 R94 N98	T34-V96 HydrophobicContact CG2-CG2 3.98Å; T75-V96 PolarHBondContact N-O 2.8Å; T75-V96 PolarHBondContact O-N 2.72Å; R94-V96 HydrophobicContact CG-CG2 3.93Å; R94-V96 PolarHBondContact O-N 3.47Å; V96-N98 PolarHBondContact O-N 3.42Å
97	N	38.5	Very low	42	Very low	68 Å²	68	90.3 Å²	90.3	36%	0.364	43%	0.433	S	S	.	.			trans	-67.3	117	167.5	-81.7	-18.1	0	0	0	108	M95 F99	M95-N97 PolarHBondContact O-N 2.96Å; N97-F99 VanDerWaalsContact C-N 3.35Å; N97-F99 HydrophobicContact CB-CD2 3.74Å; N97-F99 HydrophobicContact CB-CE2 3.93Å; N97-F99 PolarHBondContact O-N 3.07Å
98	N	38.9	Very low	42.1	Very low	137 Å²	137	84.5 Å²	84.5	73%	0.733	41%	0.407	S	S	*	.			trans	-80.1	88.5	161.9	-71.2	-15.3	0	0	0	106.9	V96	V96-N98 PolarHBondContact O-N 3.42Å
99	F	40.9	Very low	42.5	Very low	249 Å²	249	78.9 Å²	78.9	100%	1.092	37%	0.373	S	S	*	.			trans	-93.7	0	159.2	-79.9	-73.5	0	0	0	109.2	N97	N97-F99 VanDerWaalsContact C-N 3.35Å; N97-F99 HydrophobicContact CB-CD2 3.74Å; N97-F99 HydrophobicContact CB-CE2 3.93Å; N97-F99 PolarHBondContact O-N 3.07Å

Retrieved 99 of 99 residues in 24.5 ms (Link to these results)

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