A0A077ZL79_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZL79_TRITR|A0A077ZL79
MSTKQFSSRITNVVHSSRSWRHPRFGPAKDTIPSLASRVVRIAWKERYCYGEGYDDARVIVHLGVVVRPGSVTVEPRMLTIFLCRPPPKLTKFWQVGCQYVNKRKVNLDTSTINVCGKLTALPVTWYMNALRTCTL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	30.7	Very low	30.8	Very low	247 Å²	247	134.2 Å²	134.2	100%	1.217	71%	0.705	S	S	*	*				0	103.4	0	-75.3	176	169	0	0	108.5
2	S	32.3	Very low	31.3	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	68%	0.676	S	S	*	*			trans	-89.7	106.8	174.7	-168.7	0	0	0	0	108.5	K4	S2-K4 PolarHBondContact O-N 2.91Å
3	T	29.5	Very low	31.8	Very low	124 Å²	124	122.5 Å²	122.5	76%	0.761	65%	0.647	S	S	*	*			trans	-59.4	108.1	167.9	35.2	0	0	0	0	107.6	Q5	T3-Q5 PolarHBondContact O-N 3.4Å
4	K	28.9	Very low	32.6	Very low	162 Å²	162	120.6 Å²	120.6	70%	0.704	64%	0.642	S	S	*	*			trans	-65.4	87.5	168.6	-73.6	-178.6	179.3	176.1	0	106.6	S2 F6	S2-K4 PolarHBondContact O-N 2.91Å; K4-F6 PolarHBondContact O-N 2.9Å
5	Q	27.8	Very low	33.2	Very low	176 Å²	176	117.2 Å²	117.2	82%	0.822	62%	0.621	S	S	*	*			trans	-50	115.3	170	-97.4	179.5	-17.5	0	0	106.9	T3 S7	T3-Q5 PolarHBondContact O-N 3.4Å; Q5-S7 PolarHBondContact O-N 3.24Å
6	F	27.5	Very low	33.7	Very low	161 Å²	161	111.6 Å²	111.6	71%	0.706	59%	0.594	S	S	*	*			trans	-62.9	97	164.5	-84.3	-95	0	0	0	105.6	K4 S8	K4-F6 PolarHBondContact O-N 2.9Å; F6-S8 PolarHBondContact O-N 2.85Å; F6-S8 VanDerWaalsContact O-N 3.09Å
7	S	30	Very low	33.8	Very low	57 Å²	57	109.6 Å²	109.6	40%	0.399	59%	0.591	S	S	.	*			trans	-54.6	120	169.8	175.5	0	0	0	0	107.2	Q5 R9	Q5-S7 PolarHBondContact O-N 3.24Å; S7-R9 PolarHBondContact O-N 3.48Å; S7-R9 VanDerWaalsContact OG-CB 3.26Å; S7-R9 WeakPolarHBondContact OG-CB 3.5Å; S7-R9 WeakPolarHBondContact OG-CG 3.11Å; S7-R9 PolarHBondContact OG-N 2.84Å
8	S	31.9	Very low	33.7	Very low	111 Å²	111	116.1 Å²	116.1	78%	0.776	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	0.3	171.7	54.8	0	0	0	0	112.6	F6 I10	F6-S8 PolarHBondContact O-N 2.85Å; F6-S8 VanDerWaalsContact O-N 3.09Å; S8-I10 PolarHBondContact O-N 2.82Å
9	R	32	Very low	33.8	Very low	153 Å²	153	112.4 Å²	112.4	58%	0.577	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	12.7	-180	-61.5	-175.2	174.8	-174.1	-0.9	115.2	S7 T11	S7-R9 PolarHBondContact O-N 3.48Å; S7-R9 VanDerWaalsContact OG-CB 3.26Å; S7-R9 WeakPolarHBondContact OG-CB 3.5Å; S7-R9 WeakPolarHBondContact OG-CG 3.11Å; S7-R9 PolarHBondContact OG-N 2.84Å; R9-T11 PolarHBondContact O-N 2.98Å; R9-T11 PolarHBondContact O-OG1 2.78Å
10	I	34.4	Very low	33.7	Very low	61 Å²	61	110 Å²	110	31%	0.313	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	55.9	166.2	-45.1	170.9	0	0	0	108.8	S8 V13 I42 A43	S8-I10 PolarHBondContact O-N 2.82Å; I10-V13 HydrophobicContact CG2-CG2 4.25Å; I10-I42 HydrophobicContact CG2-CG2 4.28Å; I10-A43 HydrophobicContact CD1-CB 3.76Å
11	T	33.6	Very low	33.6	Very low	106 Å²	106	116.1 Å²	116.1	65%	0.65	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-13.1	-177.7	42.1	0	0	0	0	112.4	R9	R9-T11 PolarHBondContact O-N 2.98Å; R9-T11 PolarHBondContact O-OG1 2.78Å
12	N	36.5	Very low	33.8	Very low	67 Å²	67	108.5 Å²	108.5	36%	0.358	55%	0.55	S	S	.	.			trans	-108.7	40.3	-168.5	-68.7	-31.4	0	0	0	114.2	R58	N12-R58 HydrophobicContact CB-CG 4.41Å
13	V	37.9	Very low	33.8	Very low	49 Å²	49	108.4 Å²	108.4	30%	0.297	55%	0.547	S	S	.	.			trans	-90.4	108.2	176.1	-175	0	0	0	0	109.9	I10 H15 I42	I10-V13 HydrophobicContact CG2-CG2 4.25Å; V13-H15 PolarHBondContact O-N 3.33Å; V13-I42 HydrophobicContact CB-CD1 4.47Å; V13-I42 HydrophobicContact CG1-CD1 3.56Å; V13-I42 HydrophobicContact CG2-CD1 4.05Å; V13-I42 HydrophobicContact CG2-CG2 3.73Å
14	V	43.4	Very low	34.2	Very low	96 Å²	96	112.7 Å²	112.7	58%	0.582	55%	0.549	S	S	*	.			trans	-89.5	106.7	171	-176.3	0	0	0	0	108.8	S16	V14-S16 PolarHBondContact O-N 2.9Å
15	H	41.4	Very low	34.4	Very low	70 Å²	70	108.6 Å²	108.6	32%	0.324	53%	0.531	S	S	.	.			trans	-85.7	107.2	176	-126.8	38.7	0	0	0	110.2	V13 S17 R38	V13-H15 PolarHBondContact O-N 3.33Å; H15-S17 PolarHBondContact O-N 2.78Å; H15-S17 VanDerWaalsContact O-N 3.14Å; H15-R38 PolarHBondContact NE2-NH1 2.82Å
16	S	40.9	Very low	34.6	Very low	28 Å²	28	101.6 Å²	101.6	20%	0.196	51%	0.506	C	S	.	.	B	Isolated β-bridge	trans	-82.8	85.8	169.2	-179.6	0	0	0	0	109.4	V14 Y127	V14-S16 PolarHBondContact O-N 2.9Å; S16-Y127 PolarHBondContact OG-OH 2.92Å
17	S	36.1	Very low	34.8	Very low	77 Å²	77	100.1 Å²	100.1	54%	0.538	51%	0.513	S	S	.	.			trans	-89.1	-14	169.8	60.9	0	0	0	0	112.9	H15 S19 W20	H15-S17 PolarHBondContact O-N 2.78Å; H15-S17 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact O-N 3.04Å; S17-W20 VanDerWaalsContact O-CB 3.31Å; S17-W20 WeakPolarHBondContact O-CB 3.36Å; S17-W20 PolarHBondContact O-N 3.4Å; S17-W20 VanDerWaalsContact O-N 3.12Å
18	R	31.5	Very low	35.3	Very low	227 Å²	227	99.2 Å²	99.2	86%	0.857	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-65.7	-33.4	-170.7	-80.4	-173.1	177.8	-178.7	-0.2	113.6	W20	R18-W20 PolarHBondContact O-N 3.46Å; R18-W20 VanDerWaalsContact O-N 3.17Å
19	S	36	Very low	35.4	Very low	45 Å²	45	102.2 Å²	102.2	32%	0.315	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-65.8	-17.6	177.5	-38	0	0	0	0	112.8	S17 H22 F25	S17-S19 PolarHBondContact O-N 3.04Å; S19-H22 WeakPolarHBondContact O-CB 3.28Å; S19-F25 WeakPolarHBondContact O-CD2 2.82Å
20	W	32.1	Very low	35.6	Very low	65 Å²	65	101.9 Å²	101.9	25%	0.246	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-84.6	-30.8	-173.4	-121.9	73.3	0	0	0	114.3	S17 R18 H22 A28 I32 L63	S17-W20 VanDerWaalsContact O-CB 3.31Å; S17-W20 WeakPolarHBondContact O-CB 3.36Å; S17-W20 PolarHBondContact O-N 3.4Å; S17-W20 VanDerWaalsContact O-N 3.12Å; R18-W20 PolarHBondContact O-N 3.46Å; R18-W20 VanDerWaalsContact O-N 3.17Å; W20-H22 PolarHBondContact O-N 3.2Å; W20-A28 HydrophobicContact CH2-CB 3.88Å; W20-A28 WeakPolarHBondContact CH2-O 3.44Å; W20-A28 HydrophobicContact CZ2-CB 4.32Å; W20-I32 HydrophobicContact CH2-CD1 3.83Å; W20-I32 HydrophobicContact CH2-CG1 4.38Å; W20-I32 HydrophobicContact CZ2-CD1 3.92Å; W20-I32 HydrophobicContact CZ2-CG1 4.29Å; W20-I32 HydrophobicContact CZ3-CD1 4.26Å; W20-L63 VanDerWaalsContact CD1-O 3.24Å; W20-L63 PolarHBondContact NE1-O 3.47Å
21	R	32	Very low	35.8	Very low	238 Å²	238	103 Å²	103	90%	0.898	53%	0.528	S	S	*	.	S	Bend	trans	-70.7	-6.7	172.1	-71.8	-167.6	-178.4	-176.6	0.9	112.3	P23	R21-P23 WeakPolarHBondContact O-CD 3.23Å
22	H	33.9	Very low	36.3	Very low	87 Å²	87	101.4 Å²	101.4	40%	0.403	51%	0.514	S	S	.	.	S	Bend	trans	-71.4	122.6	176.5	-167.6	-74.1	0	0	0	109.2	S19 W20 R24 F25	S19-H22 WeakPolarHBondContact O-CB 3.28Å; W20-H22 PolarHBondContact O-N 3.2Å; H22-R24 PolarHBondContact ND1-N 3.36Å; H22-R24 PolarHBondContact O-N 3.28Å; H22-F25 HydrophobicContact CB-CD2 3.96Å; H22-F25 HydrophobicContact CB-CE2 4.26Å; H22-F25 PolarHBondContact O-N 3.04Å
23	P	32.3	Very low	36.8	Very low	117 Å²	117	99.9 Å²	99.9	76%	0.76	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-54.1	-29.7	-169.9	-23.8	28	0	0	0	114.6	R21 F25 G26	R21-P23 WeakPolarHBondContact O-CD 3.23Å; P23-F25 PolarHBondContact O-N 3.49Å; P23-F25 VanDerWaalsContact O-N 3.13Å; P23-G26 PolarHBondContact O-N 3.42Å
24	R	37.3	Very low	37.3	Very low	214 Å²	214	101 Å²	101	81%	0.808	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.9	176.2	-74.7	-172.8	-142.8	-176.2	9.6	114.5	H22	H22-R24 PolarHBondContact ND1-N 3.36Å; H22-R24 PolarHBondContact O-N 3.28Å
25	F	34.6	Very low	37.5	Very low	76 Å²	76	101.4 Å²	101.4	33%	0.333	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-96.5	-0.2	-176.8	-61.2	-67.9	0	0	0	113.9	S19 H22 P23 V65	S19-F25 WeakPolarHBondContact O-CD2 2.82Å; H22-F25 HydrophobicContact CB-CD2 3.96Å; H22-F25 HydrophobicContact CB-CE2 4.26Å; H22-F25 PolarHBondContact O-N 3.04Å; P23-F25 PolarHBondContact O-N 3.49Å; P23-F25 VanDerWaalsContact O-N 3.13Å; F25-V65 HydrophobicContact CB-CG2 4.49Å; F25-V65 HydrophobicContact CD1-CB 3.91Å; F25-V65 HydrophobicContact CD1-CG2 4Å; F25-V65 HydrophobicContact CE1-CB 4.41Å
26	G	30.9	Very low	37.6	Very low	29 Å²	29	101.1 Å²	101.1	30%	0.299	53%	0.526	S	S	.	.			trans	67.6	153.4	169.6	0	0	0	0	0	114.4	P23 A28	P23-G26 PolarHBondContact O-N 3.42Å; G26-A28 PolarHBondContact O-N 3.27Å
27	P	33.3	Very low	38.2	Very low	129 Å²	129	101.9 Å²	101.9	84%	0.838	53%	0.531	S	S	*	.			trans	-74.8	74.5	168	31.5	-32	0	0	0	108.5	K29	P27-K29 VanDerWaalsContact C-N 3.31Å; P27-K29 PolarHBondContact O-N 2.69Å
28	A	38.6	Very low	38.9	Very low	38 Å²	38	100 Å²	100	31%	0.314	51%	0.512	S	S	.	.			trans	-74.7	89.2	-179.5	0	0	0	0	0	109.9	W20 G26	W20-A28 HydrophobicContact CH2-CB 3.88Å; W20-A28 WeakPolarHBondContact CH2-O 3.44Å; W20-A28 HydrophobicContact CZ2-CB 4.32Å; G26-A28 PolarHBondContact O-N 3.27Å
29	K	34.2	Very low	39.9	Very low	175 Å²	175	92.2 Å²	92.2	76%	0.761	49%	0.49	S	S	*	.			trans	-39.1	133.7	161.2	-72.2	-179	174.9	-179.6	0	111.3	P27	P27-K29 VanDerWaalsContact C-N 3.31Å; P27-K29 PolarHBondContact O-N 2.69Å
30	D	36.5	Very low	40.8	Very low	146 Å²	146	94.9 Å²	94.9	78%	0.781	50%	0.504	S	S	*	.	S	Bend	trans	89.4	9.4	142.7	-54.1	-21.9	0	0	0	123.8
31	T	39.7	Very low	42	Very low	85 Å²	85	94.7 Å²	94.7	52%	0.521	50%	0.503	S	S	.	.			trans	-151.9	29	175.8	28	0	0	0	0	117	P33 K103	T31-P33 WeakPolarHBondContact O-CD 3.26Å; T31-K103 WeakPolarHBondContact OG1-CE 3.46Å; T31-K103 PolarHBondContact OG1-NZ 3.44Å
32	I	43	Very low	43.3	Very low	72 Å²	72	83.4 Å²	83.4	37%	0.369	46%	0.461	S	S	.	.	S	Bend	trans	-72.8	124.6	163.5	-58.6	174.8	0	0	0	107.1	W20 S34 L63	W20-I32 HydrophobicContact CH2-CD1 3.83Å; W20-I32 HydrophobicContact CH2-CG1 4.38Å; W20-I32 HydrophobicContact CZ2-CD1 3.92Å; W20-I32 HydrophobicContact CZ2-CG1 4.29Å; W20-I32 HydrophobicContact CZ3-CD1 4.26Å; I32-S34 PolarHBondContact O-N 2.8Å; I32-L63 HydrophobicContact CD1-CD1 4.22Å; I32-L63 HydrophobicContact CG1-CD1 4.32Å; I32-L63 HydrophobicContact CG2-CD1 3.58Å
33	P	48.3	Very low	44.4	Very low	34 Å²	34	79.9 Å²	79.9	22%	0.221	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-53.5	136.6	170.7	-24.5	35.2	0	0	0	108.9	T31 R38 M78	T31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-R38 HydrophobicContact CB-CG 4.35Å; P33-R38 PolarHBondContact O-NE 2.04Å; P33-R38 VanDerWaalsContact O-NE 3.13Å; P33-M78 HydrophobicContact CB-CE 4.22Å; P33-M78 HydrophobicContact CG-CE 3.52Å
34	S	48.4	Very low	45.8	Very low	72 Å²	72	80.6 Å²	80.6	50%	0.503	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-46.9	152.5	-179.5	65.7	0	0	0	0	110.8	I32 A36 S37 R38	I32-S34 PolarHBondContact O-N 2.8Å; S34-A36 PolarHBondContact O-N 3.32Å; S34-A36 VanDerWaalsContact O-N 3.1Å; S34-S37 PolarHBondContact O-N 3.24Å; S34-S37 PolarHBondContact OG-N 2.83Å; S34-S37 VanDerWaalsContact OG-N 3.11Å; S34-R38 PolarHBondContact O-N 3.42Å
35	L	46	Very low	47	Very low	106 Å²	106	71 Å²	71	56%	0.555	40%	0.398	S	S	*	.	H	α-helix	trans	-48.5	-40.7	174.6	-174.7	66.4	0	0	0	110.9	R38 V39	L35-R38 WeakPolarHBondContact O-CB 3.47Å; L35-R38 PolarHBondContact O-N 3.04Å; L35-V39 HydrophobicContact CG-CG2 4.49Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.36Å; L35-V39 PolarHBondContact O-N 3.08Å
36	A	45	Very low	48.2	Very low	64 Å²	64	67.7 Å²	67.7	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-49.3	173.4	0	0	0	0	0	113.4	S34 R38 V39 V40	S34-A36 PolarHBondContact O-N 3.32Å; S34-A36 VanDerWaalsContact O-N 3.1Å; A36-R38 VanDerWaalsContact C-N 3.26Å; A36-R38 PolarHBondContact O-N 2.92Å; A36-V39 PolarHBondContact O-N 3.18Å; A36-V40 WeakPolarHBondContact O-CG2 3.28Å; A36-V40 PolarHBondContact O-N 3.19Å
37	S	52.3	Low	49.7	Very low	43 Å²	43	70.7 Å²	70.7	30%	0.301	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-36.8	176.9	-175.8	0	0	0	0	112.2	S34 R41	S34-S37 PolarHBondContact O-N 3.24Å; S34-S37 PolarHBondContact OG-N 2.83Å; S34-S37 VanDerWaalsContact OG-N 3.11Å; S37-R41 WeakPolarHBondContact O-CG 3.11Å; S37-R41 PolarHBondContact O-N 3.02Å; S37-R41 VanDerWaalsContact O-N 3.09Å
38	R	51.5	Low	51.2	Low	38 Å²	38	68.9 Å²	68.9	14%	0.143	36%	0.363	C	S	.	.	H	α-helix	trans	-65.6	-46.4	174.2	-69.7	178.2	-75.4	176.1	1	111.7	H15 P33 S34 L35 A36 V40 R41 I42 M78	H15-R38 PolarHBondContact NE2-NH1 2.82Å; P33-R38 HydrophobicContact CB-CG 4.35Å; P33-R38 PolarHBondContact O-NE 2.04Å; P33-R38 VanDerWaalsContact O-NE 3.13Å; S34-R38 PolarHBondContact O-N 3.42Å; L35-R38 WeakPolarHBondContact O-CB 3.47Å; L35-R38 PolarHBondContact O-N 3.04Å; A36-R38 VanDerWaalsContact C-N 3.26Å; A36-R38 PolarHBondContact O-N 2.92Å; R38-V40 VanDerWaalsContact C-N 3.34Å; R38-V40 PolarHBondContact O-N 2.88Å; R38-R41 PolarHBondContact O-N 3.48Å; R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 WeakPolarHBondContact O-CD1 3.33Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 3.19Å; R38-M78 HydrophobicContact CG-CE 3.82Å
39	V	53	Low	52.2	Low	63 Å²	63	67 Å²	67	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-41.9	177.5	172	0	0	0	0	111.2	L35 A36 R41 I42 A43	L35-V39 HydrophobicContact CG-CG2 4.49Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.36Å; L35-V39 PolarHBondContact O-N 3.08Å; A36-V39 PolarHBondContact O-N 3.18Å; V39-R41 PolarHBondContact O-N 3.38Å; V39-I42 WeakPolarHBondContact O-CB 3.16Å; V39-I42 PolarHBondContact O-N 3.08Å; V39-A43 WeakPolarHBondContact O-CB 3.37Å; V39-A43 PolarHBondContact O-N 2.78Å
40	V	54.7	Low	53.8	Low	102 Å²	102	62.1 Å²	62.1	62%	0.618	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-44.2	176	173.4	0	0	0	0	111.3	A36 R38 A43 W44	A36-V40 WeakPolarHBondContact O-CG2 3.28Å; A36-V40 PolarHBondContact O-N 3.19Å; R38-V40 VanDerWaalsContact C-N 3.34Å; R38-V40 PolarHBondContact O-N 2.88Å; V40-A43 PolarHBondContact O-N 2.8Å; V40-W44 WeakPolarHBondContact O-CB 3.18Å; V40-W44 PolarHBondContact O-N 3.48Å
41	R	57.3	Low	55.1	Low	60 Å²	60	58.2 Å²	58.2	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.2	-74.4	178.8	178	-168.3	-3	111.9	S37 R38 V39 W44 K45 M78	S37-R41 WeakPolarHBondContact O-CG 3.11Å; S37-R41 PolarHBondContact O-N 3.02Å; S37-R41 VanDerWaalsContact O-N 3.09Å; R38-R41 PolarHBondContact O-N 3.48Å; V39-R41 PolarHBondContact O-N 3.38Å; R41-W44 PolarHBondContact O-N 3.32Å; R41-K45 VanDerWaalsContact O-CG 3.29Å; R41-K45 WeakPolarHBondContact O-CG 3.3Å; R41-K45 PolarHBondContact O-N 3.2Å; R41-K45 VanDerWaalsContact O-N 3.13Å; R41-M78 PolarHBondContact NH1-SD 3.05Å; R41-M78 VanDerWaalsContact NH1-SD 3.41Å
42	I	58.1	Low	56.4	Low	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-53.5	175.2	-73.1	159.3	0	0	0	110.3	I10 V13 R38 V39 W44 K45 E46 V59 V61	I10-I42 HydrophobicContact CG2-CG2 4.28Å; V13-I42 HydrophobicContact CB-CD1 4.47Å; V13-I42 HydrophobicContact CG1-CD1 3.56Å; V13-I42 HydrophobicContact CG2-CD1 4.05Å; V13-I42 HydrophobicContact CG2-CG2 3.73Å; R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 WeakPolarHBondContact O-CD1 3.33Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 3.19Å; V39-I42 WeakPolarHBondContact O-CB 3.16Å; V39-I42 PolarHBondContact O-N 3.08Å; I42-W44 VanDerWaalsContact C-N 3.28Å; I42-W44 PolarHBondContact O-N 2.84Å; I42-K45 PolarHBondContact O-N 3.42Å; I42-E46 HydrophobicContact CG2-CG 4.41Å; I42-E46 PolarHBondContact O-N 3.47Å; I42-V59 HydrophobicContact CB-CG1 4.46Å; I42-V59 HydrophobicContact CG1-CB 4.28Å; I42-V59 HydrophobicContact CG1-CG1 3.92Å; I42-V59 HydrophobicContact CG2-CB 4.06Å; I42-V59 HydrophobicContact CG2-CG2 4.42Å; I42-V61 HydrophobicContact CD1-CG2 3.83Å; I42-V61 HydrophobicContact CG1-CG2 3.68Å
43	A	58.1	Low	57.6	Low	12 Å²	12	58.4 Å²	58.4	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-38.9	-177.8	0	0	0	0	0	112.1	I10 V39 V40 K45 R47	I10-A43 HydrophobicContact CD1-CB 3.76Å; V39-A43 WeakPolarHBondContact O-CB 3.37Å; V39-A43 PolarHBondContact O-N 2.78Å; V40-A43 PolarHBondContact O-N 2.8Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 WeakPolarHBondContact O-CG 2.98Å; A43-R47 PolarHBondContact O-N 2.78Å
44	W	61.2	Low	58.7	Low	133 Å²	133	58.9 Å²	58.9	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-36	176.5	-166.9	79.2	0	0	0	112.4	V40 R41 I42 R47 Y48 T110	V40-W44 WeakPolarHBondContact O-CB 3.18Å; V40-W44 PolarHBondContact O-N 3.48Å; R41-W44 PolarHBondContact O-N 3.32Å; I42-W44 VanDerWaalsContact C-N 3.28Å; I42-W44 PolarHBondContact O-N 2.84Å; W44-R47 WeakPolarHBondContact O-CB 3.43Å; W44-R47 PolarHBondContact O-N 3.37Å; W44-Y48 PolarHBondContact O-N 3.27Å; W44-Y48 VanDerWaalsContact O-N 3.08Å; W44-T110 HydrophobicContact CH2-CG2 3.97Å
45	K	62.1	Low	59.8	Low	11 Å²	11	59.5 Å²	59.5	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-77.3	-37.6	178.5	-68.8	-66.6	-175.3	174.8	0	113.2	R41 I42 A43 R47 Y48 C49 V59 I113	R41-K45 VanDerWaalsContact O-CG 3.29Å; R41-K45 WeakPolarHBondContact O-CG 3.3Å; R41-K45 PolarHBondContact O-N 3.2Å; R41-K45 VanDerWaalsContact O-N 3.13Å; I42-K45 PolarHBondContact O-N 3.42Å; A43-K45 VanDerWaalsContact C-N 3.33Å; K45-R47 VanDerWaalsContact C-N 3.27Å; K45-R47 PolarHBondContact O-N 3.24Å; K45-Y48 WeakPolarHBondContact O-CB 3.37Å; K45-Y48 PolarHBondContact O-N 3.38Å; K45-Y48 VanDerWaalsContact O-N 3.12Å; K45-C49 PolarHBondContact O-N 2.83Å; K45-V59 HydrophobicContact CB-CG2 3.97Å; K45-I113 HydrophobicContact CD-CD1 4.22Å
46	E	60.5	Low	60.9	Low	8 Å²	8	56.2 Å²	56.2	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-43.9	169.2	-72	-178.5	164.5	0	0	110.4	I42 Y48 C49 Y50 A57 V59	I42-E46 HydrophobicContact CG2-CG 4.41Å; I42-E46 PolarHBondContact O-N 3.47Å; E46-Y48 VanDerWaalsContact C-N 3.27Å; E46-Y48 PolarHBondContact O-N 3.49Å; E46-C49 PolarHBondContact O-N 3.44Å; E46-Y50 HydrophobicContact CB-CD2 4.44Å; E46-Y50 HydrophobicContact CB-CE2 4.09Å; E46-Y50 WeakPolarHBondContact O-CD2 3.33Å; E46-Y50 PolarHBondContact O-N 2.76Å; E46-A57 HydrophobicContact CB-CB 4.37Å; E46-A57 HydrophobicContact CG-CB 4.32Å; E46-V59 HydrophobicContact CG-CG2 3.69Å
47	R	61.8	Low	62	Low	92 Å²	92	53.2 Å²	53.2	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-34.3	174.1	-75.8	172.4	-178.8	177.5	0.9	113.3	A43 W44 K45 Y50 G51	A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 WeakPolarHBondContact O-CG 2.98Å; A43-R47 PolarHBondContact O-N 2.78Å; W44-R47 WeakPolarHBondContact O-CB 3.43Å; W44-R47 PolarHBondContact O-N 3.37Å; K45-R47 VanDerWaalsContact C-N 3.27Å; K45-R47 PolarHBondContact O-N 3.24Å; R47-Y50 PolarHBondContact O-N 2.76Å; R47-G51 PolarHBondContact O-N 3.02Å
48	Y	65.1	Low	62.8	Low	90 Å²	90	54.5 Å²	54.5	35%	0.353	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-49.4	174.5	177	-99.1	0	0	0	111.1	W44 K45 E46 Y50 G51 E52 I113	W44-Y48 PolarHBondContact O-N 3.27Å; W44-Y48 VanDerWaalsContact O-N 3.08Å; K45-Y48 WeakPolarHBondContact O-CB 3.37Å; K45-Y48 PolarHBondContact O-N 3.38Å; K45-Y48 VanDerWaalsContact O-N 3.12Å; E46-Y48 VanDerWaalsContact C-N 3.27Å; E46-Y48 PolarHBondContact O-N 3.49Å; Y48-Y50 VanDerWaalsContact C-N 3.34Å; Y48-Y50 PolarHBondContact O-N 2.77Å; Y48-G51 PolarHBondContact O-N 3.12Å; Y48-E52 HydrophobicContact CD1-CG 4.46Å; Y48-E52 HydrophobicContact CD2-CG 4.31Å; Y48-E52 HydrophobicContact CE1-CG 4.06Å; Y48-E52 HydrophobicContact CE2-CG 3.86Å; Y48-E52 WeakPolarHBondContact O-CG 3.14Å; Y48-E52 PolarHBondContact O-N 2Å; Y48-I113 HydrophobicContact CD1-CD1 3.49Å; Y48-I113 VanDerWaalsContact CD1-CD1 3.49Å; Y48-I113 HydrophobicContact CD2-CD1 4.42Å; Y48-I113 HydrophobicContact CE1-CD1 3.47Å; Y48-I113 VanDerWaalsContact CE1-CD1 3.47Å; Y48-I113 HydrophobicContact CE1-CG2 4.27Å; Y48-I113 HydrophobicContact CE2-CD1 4.43Å; Y48-I113 HydrophobicContact CG-CD1 3.98Å
49	C	60.3	Low	63.4	Low	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-48.2	175.1	-63	0	0	0	0	111	K45 E46 G51 E52 G53 Y54 A57 C84	K45-C49 PolarHBondContact O-N 2.83Å; E46-C49 PolarHBondContact O-N 3.44Å; C49-G51 VanDerWaalsContact C-N 3.31Å; C49-G51 PolarHBondContact O-N 3.5Å; C49-E52 PolarHBondContact O-N 2.79Å; C49-G53 PolarHBondContact O-N 2.81Å; C49-Y54 HydrophobicContact CB-CD2 4.14Å; C49-Y54 HydrophobicContact CB-CG 4.42Å; C49-Y54 WeakPolarHBondContact O-CB 3.18Å; C49-Y54 WeakPolarHBondContact O-CD2 3.17Å; C49-Y54 PolarHBondContact O-N 2.76Å; C49-A57 HydrophobicContact CB-CB 3.52Å; C49-C84 HydrophobicContact CB-CB 3.75Å; C49-C84 WeakPolarHBondContact CB-SG 3.01Å; C49-C84 WeakPolarHBondContact SG-CB 3.5Å; C49-C84 CovalentContact SG-SG 2.04Å; C49-C84 PolarHBondContact SG-SG 3.3Å
50	Y	67.1	Low	63.9	Low	71 Å²	71	50.3 Å²	50.3	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-34.2	-179.8	-63.1	-56.4	0	0	0	112.9	E46 R47 Y48 E52 G53 Y54 A57	E46-Y50 HydrophobicContact CB-CD2 4.44Å; E46-Y50 HydrophobicContact CB-CE2 4.09Å; E46-Y50 WeakPolarHBondContact O-CD2 3.33Å; E46-Y50 PolarHBondContact O-N 2.76Å; R47-Y50 PolarHBondContact O-N 2.76Å; Y48-Y50 VanDerWaalsContact C-N 3.34Å; Y48-Y50 PolarHBondContact O-N 2.77Å; Y50-E52 VanDerWaalsContact C-N 3.33Å; Y50-E52 PolarHBondContact O-N 3.06Å; Y50-G53 PolarHBondContact O-N 2.83Å; Y50-Y54 WeakPolarHBondContact CD1-O 3.34Å; Y50-A57 HydrophobicContact CE1-CB 4.28Å; Y50-A57 HydrophobicContact CE2-CB 4.02Å
51	G	63.8	Low	64.2	Low	64 Å²	64	45.6 Å²	45.6	66%	0.66	23%	0.226	S	C	*	.	H	α-helix	trans	-66.8	-31.7	176.6	0	0	0	0	0	113.8	R47 Y48 C49 G53	R47-G51 PolarHBondContact O-N 3.02Å; Y48-G51 PolarHBondContact O-N 3.12Å; C49-G51 VanDerWaalsContact C-N 3.31Å; C49-G51 PolarHBondContact O-N 3.5Å; G51-G53 PolarHBondContact O-N 2.89Å
52	E	67.7	Low	64.4	Low	119 Å²	119	44 Å²	44	56%	0.556	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	3.7	175.3	-63	-66.9	125.5	0	0	112.9	Y48 C49 Y50 Y54	Y48-E52 HydrophobicContact CD1-CG 4.46Å; Y48-E52 HydrophobicContact CD2-CG 4.31Å; Y48-E52 HydrophobicContact CE1-CG 4.06Å; Y48-E52 HydrophobicContact CE2-CG 3.86Å; Y48-E52 WeakPolarHBondContact O-CG 3.14Å; Y48-E52 PolarHBondContact O-N 2Å; C49-E52 PolarHBondContact O-N 2.79Å; Y50-E52 VanDerWaalsContact C-N 3.33Å; Y50-E52 PolarHBondContact O-N 3.06Å; E52-Y54 HydrophobicContact CB-CD2 3.77Å; E52-Y54 HydrophobicContact CB-CE2 3.57Å; E52-Y54 HydrophobicContact CG-CE2 4.45Å
53	G	68.4	Low	64.2	Low	43 Å²	43	45.1 Å²	45.1	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	20.2	176.4	0	0	0	0	0	115.4	C49 Y50 G51 P87	C49-G53 PolarHBondContact O-N 2.81Å; Y50-G53 PolarHBondContact O-N 2.83Å; G51-G53 PolarHBondContact O-N 2.89Å; G53-P87 WeakPolarHBondContact O-CD 2.99Å; G53-P87 VanDerWaalsContact O-CG 3.28Å; G53-P87 WeakPolarHBondContact O-CG 3.32Å
54	Y	69.7	Low	63.9	Low	43 Å²	43	45.3 Å²	45.3	17%	0.169	23%	0.23	C	C	.	.			trans	-78.5	143.1	171.2	-62.9	-82.5	0	0	0	111.1	C49 Y50 E52 C84 R85 P86 Q95	C49-Y54 HydrophobicContact CB-CD2 4.14Å; C49-Y54 HydrophobicContact CB-CG 4.42Å; C49-Y54 WeakPolarHBondContact O-CB 3.18Å; C49-Y54 WeakPolarHBondContact O-CD2 3.17Å; C49-Y54 PolarHBondContact O-N 2.76Å; Y50-Y54 WeakPolarHBondContact CD1-O 3.34Å; E52-Y54 HydrophobicContact CB-CD2 3.77Å; E52-Y54 HydrophobicContact CB-CE2 3.57Å; E52-Y54 HydrophobicContact CG-CE2 4.45Å; Y54-C84 HydrophobicContact CD1-CB 3.54Å; Y54-C84 HydrophobicContact CD2-CB 3.69Å; Y54-C84 HydrophobicContact CE1-CB 3.96Å; Y54-C84 HydrophobicContact CE2-CB 4.11Å; Y54-C84 HydrophobicContact CG-CB 3.43Å; Y54-C84 VanDerWaalsContact CG-CB 3.43Å; Y54-R85 CarbonylContact C-O 3.5Å; Y54-R85 WeakPolarHBondContact CA-O 3.46Å; Y54-R85 WeakPolarHBondContact CB-O 3.41Å; Y54-P86 HydrophobicContact CD1-CB 4.35Å; Y54-P86 HydrophobicContact CD1-CG 4.11Å; Y54-P86 HydrophobicContact CE1-CB 4.48Å; Y54-P86 HydrophobicContact CE1-CG 4Å; Y54-Q95 HydrophobicContact CE1-CB 4.48Å; Y54-Q95 HydrophobicContact CE1-CG 4.24Å; Y54-Q95 VanDerWaalsContact OH-CD 3.22Å; Y54-Q95 PolarHBondContact OH-NE2 2.63Å; Y54-Q95 PolarHBondContact OH-OE1 3.32Å
55	D	73.2	Confident	63.3	Low	85 Å²	85	40.1 Å²	40.1	46%	0.455	21%	0.213	S	C	.	.	S	Bend	trans	-86.5	-23.6	-174.7	-85.2	3.5	0	0	0	113.6	R85 P87 P88	D55-R85 PolarHBondContact N-O 2.85Å; D55-P87 VanDerWaalsContact OD2-CA 3.23Å; D55-P87 WeakPolarHBondContact OD2-CA 3.01Å; D55-P88 WeakPolarHBondContact OD2-CD 3.33Å
56	D	68.5	Low	62.5	Low	38 Å²	38	41.9 Å²	41.9	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.7	176.4	-163	0.2	0	0	0	109.4	C84 R85 W94	D56-C84 CarbonylContact O-C 3.56Å; D56-R85 HydrophobicContact CB-CB 3.82Å; D56-R85 PolarHBondContact O-N 3.49Å; D56-W94 HydrophobicContact CB-CH2 3.84Å; D56-W94 HydrophobicContact CB-CZ3 4.28Å; D56-W94 VanDerWaalsContact OD2-CH2 3.3Å; D56-W94 WeakPolarHBondContact OD2-CH2 3.44Å
57	A	68.6	Low	61.7	Low	1 Å²	1	45.5 Å²	45.5	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	131.9	-179.4	0	0	0	0	0	109.4	E46 C49 Y50 L83	E46-A57 HydrophobicContact CB-CB 4.37Å; E46-A57 HydrophobicContact CG-CB 4.32Å; C49-A57 HydrophobicContact CB-CB 3.52Å; Y50-A57 HydrophobicContact CE1-CB 4.28Å; Y50-A57 HydrophobicContact CE2-CB 4.02Å; A57-L83 CarbonylContact C-O 3.55Å; A57-L83 WeakPolarHBondContact CA-O 3.42Å
58	R	67.5	Low	60.8	Low	69 Å²	69	46.9 Å²	46.9	26%	0.26	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	170.5	-52.4	-153.4	-164.7	170.6	-11	110.1	N12 F82 L83 W94 W126	N12-R58 HydrophobicContact CB-CG 4.41Å; R58-F82 CarbonylContact O-C 3.55Å; R58-F82 WeakPolarHBondContact O-CA 3.5Å; R58-L83 HydrophobicContact CB-CB 4.34Å; R58-L83 PolarHBondContact N-O 2.88Å; R58-L83 PolarHBondContact O-N 3.24Å; R58-W94 HydrophobicContact CG-CH2 4.07Å; R58-W94 HydrophobicContact CG-CZ3 4.09Å; R58-W126 HydrophobicContact CG-CZ3 4.44Å
59	V	64	Low	59.6	Low	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.2	177.2	-175.2	0	0	0	0	109	I42 K45 E46 V61 T80 I81 F82	I42-V59 HydrophobicContact CB-CG1 4.46Å; I42-V59 HydrophobicContact CG1-CB 4.28Å; I42-V59 HydrophobicContact CG1-CG1 3.92Å; I42-V59 HydrophobicContact CG2-CB 4.06Å; I42-V59 HydrophobicContact CG2-CG2 4.42Å; K45-V59 HydrophobicContact CB-CG2 3.97Å; E46-V59 HydrophobicContact CG-CG2 3.69Å; V59-V61 HydrophobicContact CG1-CG2 4.29Å; V59-T80 HydrophobicContact CG1-CG2 3.61Å; V59-I81 CarbonylContact C-O 3.56Å; V59-I81 WeakPolarHBondContact CA-O 3.25Å; V59-F82 HydrophobicContact CG2-CB 4.26Å
60	I	64.2	Low	58.7	Low	13 Å²	13	53.7 Å²	53.7	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.5	174.6	-54.2	170.3	0	0	0	107.6	I81 L83 Y127	I60-I81 HydrophobicContact CB-CB 4.25Å; I60-I81 PolarHBondContact N-O 2.79Å; I60-I81 PolarHBondContact O-N 2.86Å; I60-L83 HydrophobicContact CD1-CD1 4.04Å; I60-Y127 HydrophobicContact CD1-CD2 4.34Å; I60-Y127 HydrophobicContact CG2-CD2 3.71Å; I60-Y127 HydrophobicContact CG2-CE2 3.8Å
61	V	61.5	Low	57.5	Low	3 Å²	3	52.1 Å²	52.1	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.6	174.4	-177.3	0	0	0	0	108.1	I42 V59 M78 T80	I42-V61 HydrophobicContact CD1-CG2 3.83Å; I42-V61 HydrophobicContact CG1-CG2 3.68Å; V59-V61 HydrophobicContact CG1-CG2 4.29Å; V61-M78 HydrophobicContact CG1-CE 4.15Å; V61-M78 HydrophobicContact CG1-CG 3.77Å; V61-M78 HydrophobicContact CG1-SD 3.97Å; V61-T80 HydrophobicContact CG2-CG2 4.3Å
62	H	60.1	Low	56.7	Low	27 Å²	27	56 Å²	56	13%	0.125	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.8	169	-173.4	48.6	0	0	0	110.7	L79 Y127 L131	H62-L79 WeakPolarHBondContact CA-O 3.02Å; H62-L79 HydrophobicContact CB-CB 4.31Å; H62-L79 PolarHBondContact N-O 2.75Å; H62-L79 PolarHBondContact O-N 2.84Å; H62-Y127 HydrophobicContact CB-CE2 4.27Å; H62-Y127 PolarHBondContact CE1-OH 2.86Å; H62-Y127 PolarHBondContact ND1-OH 3.1Å; H62-L131 HydrophobicContact CB-CD2 4.43Å
63	L	55.7	Low	55.5	Low	26 Å²	26	54.3 Å²	54.3	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.2	170.1	-67.2	171.4	0	0	0	106.9	W20 I32 M78	W20-L63 VanDerWaalsContact CD1-O 3.24Å; W20-L63 PolarHBondContact NE1-O 3.47Å; I32-L63 HydrophobicContact CD1-CD1 4.22Å; I32-L63 HydrophobicContact CG1-CD1 4.32Å; I32-L63 HydrophobicContact CG2-CD1 3.58Å; L63-M78 HydrophobicContact CD2-CB 3.86Å; L63-M78 HydrophobicContact CD2-CE 3.62Å; L63-M78 HydrophobicContact CD2-CG 3.91Å
64	G	51.6	Low	54.5	Low	15 Å²	15	56 Å²	56	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	170.1	-179.9	0	0	0	0	0	111.4	R77	G64-R77 PolarHBondContact N-O 2.77Å; G64-R77 PolarHBondContact O-N 3.12Å
65	V	47.5	Very low	53.5	Low	25 Å²	25	56 Å²	56	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.2	161.3	166.9	0	0	0	0	106.5	F25 V67 V74	F25-V65 HydrophobicContact CB-CG2 4.49Å; F25-V65 HydrophobicContact CD1-CB 3.91Å; F25-V65 HydrophobicContact CD1-CG2 4Å; F25-V65 HydrophobicContact CE1-CB 4.41Å; V65-V67 HydrophobicContact CG1-CG2 3.98Å; V65-V74 HydrophobicContact CB-CG1 3.94Å; V65-V74 HydrophobicContact CG1-CB 3.7Å; V65-V74 HydrophobicContact CG1-CG1 3.15Å; V65-V74 HydrophobicContact CG1-CG2 3.79Å; V65-V74 HydrophobicContact CG2-CG1 3.53Å
66	V	45.5	Very low	52.4	Low	48 Å²	48	53.5 Å²	53.5	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.5	166	177.2	0	0	0	0	107.5	E75 R77	V66-E75 PolarHBondContact N-O 3.44Å; V66-E75 VanDerWaalsContact N-O 3.1Å; V66-R77 HydrophobicContact CB-CG 4.16Å; V66-R77 HydrophobicContact CG2-CB 4.02Å; V66-R77 HydrophobicContact CG2-CG 4.1Å
67	V	42.9	Very low	51.7	Low	84 Å²	84	54.1 Å²	54.1	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.9	166.7	-174.4	0	0	0	0	106.1	V65 S71 V74	V65-V67 HydrophobicContact CG1-CG2 3.98Å; V67-S71 WeakPolarHBondContact CG1-O 3.33Å; V67-V74 HydrophobicContact CG2-CG2 4.11Å
68	R	44.1	Very low	51.3	Low	121 Å²	121	54.6 Å²	54.6	46%	0.457	33%	0.326	S	S	.	.			trans	-66.8	140.1	173.5	-64.3	-175.6	-158.7	177.8	8.6	108.3	G70 S71 E75	R68-G70 PolarHBondContact O-N 3.5Å; R68-S71 WeakPolarHBondContact O-CB 3.13Å; R68-S71 PolarHBondContact O-N 2.88Å; R68-E75 IonicContact CZ-OE2 3.33Å; R68-E75 IonicContact NE-OE2 2.73Å; R68-E75 IonicContact NH2-OE1 2.94Å; R68-E75 PolarHBondContact NH2-OE1 3.13Å; R68-E75 IonicContact NH2-OE2 3.79Å; R68-E75 PolarHBondContact NH2-OE2 3.04Å
69	P	39.8	Very low	51.1	Low	137 Å²	137	51.6 Å²	51.6	89%	0.89	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	130.2	171.2	-24.2	33	0	0	0	110.3	S71	P69-S71 VanDerWaalsContact C-N 3.29Å; P69-S71 PolarHBondContact O-N 3.06Å
70	G	42.1	Very low	51.2	Low	96 Å²	96	51.8 Å²	51.8	99%	0.99	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	4.3	-177.5	0	0	0	0	0	115.8	R68	R68-G70 PolarHBondContact O-N 3.5Å
71	S	42	Very low	51.2	Low	37 Å²	37	51.2 Å²	51.2	26%	0.259	31%	0.313	S	S	.	.			trans	-112.1	135.3	177.9	-164.6	0	0	0	0	112	V67 R68 P69 T73	V67-S71 WeakPolarHBondContact CG1-O 3.33Å; R68-S71 WeakPolarHBondContact O-CB 3.13Å; R68-S71 PolarHBondContact O-N 2.88Å; P69-S71 VanDerWaalsContact C-N 3.29Å; P69-S71 PolarHBondContact O-N 3.06Å; S71-T73 VanDerWaalsContact C-N 3.31Å; S71-T73 PolarHBondContact OG-N 3.28Å; S71-T73 PolarHBondContact OG-OG1 2.99Å
72	V	46	Very low	51.6	Low	146 Å²	146	51.2 Å²	51.2	89%	0.885	31%	0.313	S	S	*	.			trans	-84	-8.3	168.9	-69.4	0	0	0	0	112.4	V74	V72-V74 PolarHBondContact O-N 3.09Å
73	T	43.4	Very low	51.9	Low	84 Å²	84	50 Å²	50	52%	0.515	31%	0.307	S	S	.	.			trans	-82.6	121	-179.7	50.6	0	0	0	0	111.3	S71 E75	S71-T73 VanDerWaalsContact C-N 3.31Å; S71-T73 PolarHBondContact OG-N 3.28Å; S71-T73 PolarHBondContact OG-OG1 2.99Å; T73-E75 PolarHBondContact O-N 2.75Å
74	V	46.4	Very low	52.5	Low	79 Å²	79	49 Å²	49	48%	0.479	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	104.1	172	157.3	0	0	0	0	107.5	V65 V67 V72 P76	V65-V74 HydrophobicContact CB-CG1 3.94Å; V65-V74 HydrophobicContact CG1-CB 3.7Å; V65-V74 HydrophobicContact CG1-CG1 3.15Å; V65-V74 HydrophobicContact CG1-CG2 3.79Å; V65-V74 HydrophobicContact CG2-CG1 3.53Å; V67-V74 HydrophobicContact CG2-CG2 4.11Å; V72-V74 PolarHBondContact O-N 3.09Å; V74-P76 WeakPolarHBondContact O-CD 3.41Å
75	E	49.6	Very low	53.3	Low	42 Å²	42	53 Å²	53	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.7	170.3	-70.3	-175	161	0	0	109	V66 R68 T73 R77 N102	V66-E75 PolarHBondContact N-O 3.44Å; V66-E75 VanDerWaalsContact N-O 3.1Å; R68-E75 IonicContact CZ-OE2 3.33Å; R68-E75 IonicContact NE-OE2 2.73Å; R68-E75 IonicContact NH2-OE1 2.94Å; R68-E75 PolarHBondContact NH2-OE1 3.13Å; R68-E75 IonicContact NH2-OE2 3.79Å; R68-E75 PolarHBondContact NH2-OE2 3.04Å; T73-E75 PolarHBondContact O-N 2.75Å; E75-R77 PolarHBondContact O-N 3.48Å; E75-R77 IonicContact OE2-NE 3.78Å; E75-R77 IonicContact OE2-NH2 3.84Å; E75-R77 PolarHBondContact OE2-NH2 2.84Å; E75-N102 PolarHBondContact OE2-ND2 2.75Å
76	P	48.4	Very low	54.3	Low	32 Å²	32	52.4 Å²	52.4	21%	0.208	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	122.1	169.7	-20.3	33.1	0	0	0	108.6	V74 K103	V74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-K103 VanDerWaalsContact CB-CE 3.48Å; P76-K103 VanDerWaalsContact CD-CE 3.46Å
77	R	54.8	Low	55.4	Low	52 Å²	52	52.1 Å²	52.1	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.8	176.2	-67.1	-162.8	176.3	-177.4	-5.1	109.2	G64 V66 E75	G64-R77 PolarHBondContact N-O 2.77Å; G64-R77 PolarHBondContact O-N 3.12Å; V66-R77 HydrophobicContact CB-CG 4.16Å; V66-R77 HydrophobicContact CG2-CB 4.02Å; V66-R77 HydrophobicContact CG2-CG 4.1Å; E75-R77 PolarHBondContact O-N 3.48Å; E75-R77 IonicContact OE2-NE 3.78Å; E75-R77 IonicContact OE2-NH2 3.84Å; E75-R77 PolarHBondContact OE2-NH2 2.84Å
78	M	60.6	Low	56.4	Low	10 Å²	10	53 Å²	53	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.1	166.7	178.9	-177.3	-75.5	0	0	107.2	P33 R38 R41 V61 L63 V101	P33-M78 HydrophobicContact CB-CE 4.22Å; P33-M78 HydrophobicContact CG-CE 3.52Å; R38-M78 HydrophobicContact CG-CE 3.82Å; R41-M78 PolarHBondContact NH1-SD 3.05Å; R41-M78 VanDerWaalsContact NH1-SD 3.41Å; V61-M78 HydrophobicContact CG1-CE 4.15Å; V61-M78 HydrophobicContact CG1-CG 3.77Å; V61-M78 HydrophobicContact CG1-SD 3.97Å; L63-M78 HydrophobicContact CD2-CB 3.86Å; L63-M78 HydrophobicContact CD2-CE 3.62Å; L63-M78 HydrophobicContact CD2-CG 3.91Å; M78-V101 HydrophobicContact CB-CB 4.36Å; M78-V101 PolarHBondContact N-O 2.86Å; M78-V101 PolarHBondContact O-N 3Å
79	L	62.6	Low	56.9	Low	7 Å²	7	56.8 Å²	56.8	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.2	166.9	171.9	57.7	0	0	0	107.8	H62 I81 C98 Y100 L131 C134	H62-L79 WeakPolarHBondContact CA-O 3.02Å; H62-L79 HydrophobicContact CB-CB 4.31Å; H62-L79 PolarHBondContact N-O 2.75Å; H62-L79 PolarHBondContact O-N 2.84Å; L79-I81 HydrophobicContact CD1-CG1 4.36Å; L79-I81 HydrophobicContact CD2-CD1 4.28Å; L79-I81 HydrophobicContact CD2-CG1 4.22Å; L79-I81 HydrophobicContact CG-CD1 4.49Å; L79-I81 HydrophobicContact CG-CG1 3.94Å; L79-C98 HydrophobicContact CD1-CB 4.15Å; L79-Y100 HydrophobicContact CB-CD1 4.3Å; L79-Y100 HydrophobicContact CB-CE1 4.09Å; L79-Y100 HydrophobicContact CD1-CD1 4.1Å; L79-Y100 HydrophobicContact CD1-CD2 4.21Å; L79-Y100 HydrophobicContact CD1-CE1 3.81Å; L79-Y100 HydrophobicContact CD1-CE2 3.9Å; L79-Y100 HydrophobicContact CD1-CG 4.3Å; L79-Y100 HydrophobicContact CD2-CE1 4.16Å; L79-Y100 HydrophobicContact CG-CE1 4.23Å; L79-L131 HydrophobicContact CD2-CD2 3.7Å; L79-C134 HydrophobicContact CD1-CB 4.07Å; L79-C134 HydrophobicContact CD2-CB 3.93Å
80	T	65.9	Low	57.5	Low	4 Å²	4	56.8 Å²	56.8	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.6	171.8	-56.6	0	0	0	0	108.1	V59 V61 C98 Q99	V59-T80 HydrophobicContact CG1-CG2 3.61Å; V61-T80 HydrophobicContact CG2-CG2 4.3Å; T80-C98 CarbonylContact O-C 3.57Å; T80-C98 WeakPolarHBondContact O-CA 3.38Å; T80-Q99 PolarHBondContact N-O 3.26Å; T80-Q99 PolarHBondContact O-N 3.14Å
81	I	64.8	Low	58.2	Low	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.8	175.1	-52.4	-177.9	0	0	0	106.8	V59 I60 L79 L83 V96 G97 A130 L131	V59-I81 CarbonylContact C-O 3.56Å; V59-I81 WeakPolarHBondContact CA-O 3.25Å; I60-I81 HydrophobicContact CB-CB 4.25Å; I60-I81 PolarHBondContact N-O 2.79Å; I60-I81 PolarHBondContact O-N 2.86Å; L79-I81 HydrophobicContact CD1-CG1 4.36Å; L79-I81 HydrophobicContact CD2-CD1 4.28Å; L79-I81 HydrophobicContact CD2-CG1 4.22Å; L79-I81 HydrophobicContact CG-CD1 4.49Å; L79-I81 HydrophobicContact CG-CG1 3.94Å; I81-L83 HydrophobicContact CG2-CD2 4.28Å; I81-V96 HydrophobicContact CG2-CG1 3.96Å; I81-G97 WeakPolarHBondContact CA-O 3.26Å; I81-A130 HydrophobicContact CD1-CB 4.11Å; I81-A130 HydrophobicContact CG2-CB 3.57Å; I81-L131 HydrophobicContact CD1-CD2 3.94Å; I81-L131 HydrophobicContact CD1-CG 4.06Å
82	F	69.9	Low	59.1	Low	4 Å²	4	60.5 Å²	60.5	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.3	172.3	50.5	-86	0	0	0	109.3	R58 V59 V96 G97 I113	R58-F82 CarbonylContact O-C 3.55Å; R58-F82 WeakPolarHBondContact O-CA 3.5Å; V59-F82 HydrophobicContact CG2-CB 4.26Å; F82-V96 WeakPolarHBondContact O-CA 3.43Å; F82-G97 VanDerWaalsContact CD1-O 3.3Å; F82-G97 WeakPolarHBondContact CD1-O 3.39Å; F82-G97 VanDerWaalsContact CE1-O 3.27Å; F82-G97 WeakPolarHBondContact CE1-O 3.29Å; F82-G97 PolarHBondContact N-O 2.75Å; F82-G97 PolarHBondContact O-N 3.14Å; F82-I113 HydrophobicContact CE1-CB 4.29Å; F82-I113 HydrophobicContact CE1-CG1 3.82Å; F82-I113 HydrophobicContact CE1-CG2 4.15Å; F82-I113 HydrophobicContact CE2-CB 4.36Å; F82-I113 HydrophobicContact CE2-CG1 4.36Å; F82-I113 HydrophobicContact CE2-CG2 3.38Å; F82-I113 HydrophobicContact CZ-CB 3.64Å; F82-I113 HydrophobicContact CZ-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CG1 3.6Å; F82-I113 HydrophobicContact CZ-CG2 3.08Å
83	L	66.5	Low	59.9	Low	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.6	-179.8	-56	174.8	0	0	0	105.7	A57 R58 I60 I81 W94 Q95 V96 L119 W126 A130	A57-L83 CarbonylContact C-O 3.55Å; A57-L83 WeakPolarHBondContact CA-O 3.42Å; R58-L83 HydrophobicContact CB-CB 4.34Å; R58-L83 PolarHBondContact N-O 2.88Å; R58-L83 PolarHBondContact O-N 3.24Å; I60-L83 HydrophobicContact CD1-CD1 4.04Å; I81-L83 HydrophobicContact CG2-CD2 4.28Å; L83-W94 HydrophobicContact CB-CD2 4.41Å; L83-W94 HydrophobicContact CB-CE3 3.62Å; L83-W94 HydrophobicContact CB-CZ3 4.13Å; L83-W94 WeakPolarHBondContact O-CZ3 3.27Å; L83-Q95 CarbonylContact C-O 3.38Å; L83-Q95 WeakPolarHBondContact CA-O 3.41Å; L83-V96 HydrophobicContact CD2-CB 4.11Å; L83-V96 HydrophobicContact CD2-CG1 3.89Å; L83-V96 HydrophobicContact CD2-CG2 3.61Å; L83-L119 HydrophobicContact CD2-CD1 4.18Å; L83-W126 HydrophobicContact CD1-CB 4.48Å; L83-W126 HydrophobicContact CD1-CD2 4.09Å; L83-W126 HydrophobicContact CD1-CE3 3.47Å; L83-W126 VanDerWaalsContact CD1-CE3 3.47Å; L83-W126 HydrophobicContact CD1-CZ3 4.02Å; L83-A130 HydrophobicContact CD2-CB 4.29Å
84	C	68.8	Low	60.9	Low	4 Å²	4	53.8 Å²	53.8	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.2	173.8	-46.8	0	0	0	0	108.8	C49 Y54 D56 Q95	C49-C84 HydrophobicContact CB-CB 3.75Å; C49-C84 WeakPolarHBondContact CB-SG 3.01Å; C49-C84 WeakPolarHBondContact SG-CB 3.5Å; C49-C84 CovalentContact SG-SG 2.04Å; C49-C84 PolarHBondContact SG-SG 3.3Å; Y54-C84 HydrophobicContact CD1-CB 3.54Å; Y54-C84 HydrophobicContact CD2-CB 3.69Å; Y54-C84 HydrophobicContact CE1-CB 3.96Å; Y54-C84 HydrophobicContact CE2-CB 4.11Å; Y54-C84 HydrophobicContact CG-CB 3.43Å; Y54-C84 VanDerWaalsContact CG-CB 3.43Å; D56-C84 CarbonylContact O-C 3.56Å; C84-Q95 PolarHBondContact N-O 2.69Å; C84-Q95 PolarHBondContact O-N 2.73Å
85	R	68.3	Low	61.9	Low	100 Å²	100	52.6 Å²	52.6	38%	0.377	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.5	176.2	-165.1	-180	179.6	163	-1.2	109.7	Y54 D55 D56 W94	Y54-R85 CarbonylContact C-O 3.5Å; Y54-R85 WeakPolarHBondContact CA-O 3.46Å; Y54-R85 WeakPolarHBondContact CB-O 3.41Å; D55-R85 PolarHBondContact N-O 2.85Å; D56-R85 HydrophobicContact CB-CB 3.82Å; D56-R85 PolarHBondContact O-N 3.49Å; R85-W94 HydrophobicContact CB-CD2 3.91Å; R85-W94 HydrophobicContact CB-CE3 3.69Å; R85-W94 HydrophobicContact CB-CH2 3.8Å; R85-W94 HydrophobicContact CB-CZ2 3.97Å; R85-W94 HydrophobicContact CB-CZ3 3.65Å; R85-W94 HydrophobicContact CG-CD2 4.25Å; R85-W94 HydrophobicContact CG-CZ2 4.19Å
86	P	67.8	Low	62.6	Low	12 Å²	12	50.6 Å²	50.6	8%	0.078	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.4	158.6	173.9	-19.9	34.7	0	0	0	110.4	Y54 T91 F93 Q95	Y54-P86 HydrophobicContact CD1-CB 4.35Å; Y54-P86 HydrophobicContact CD1-CG 4.11Å; Y54-P86 HydrophobicContact CE1-CB 4.48Å; Y54-P86 HydrophobicContact CE1-CG 4Å; P86-T91 WeakPolarHBondContact CB-OG1 3.3Å; P86-T91 WeakPolarHBondContact CD-OG1 3.46Å; P86-T91 WeakPolarHBondContact CG-OG1 3.37Å; P86-F93 WeakPolarHBondContact CD-O 3.3Å; P86-Q95 HydrophobicContact CG-CG 4.49Å
87	P	68.7	Low	63.3	Low	42 Å²	42	49 Å²	49	27%	0.273	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-52.3	147.4	176.2	-25.3	33.1	0	0	0	112.5	G53 D55 K89 L90	G53-P87 WeakPolarHBondContact O-CD 2.99Å; G53-P87 VanDerWaalsContact O-CG 3.28Å; G53-P87 WeakPolarHBondContact O-CG 3.32Å; D55-P87 VanDerWaalsContact OD2-CA 3.23Å; D55-P87 WeakPolarHBondContact OD2-CA 3.01Å; P87-K89 PolarHBondContact O-N 3.41Å; P87-L90 PolarHBondContact O-N 3.3Å
88	P	64.4	Low	63.6	Low	102 Å²	102	46.9 Å²	46.9	66%	0.662	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	-168.1	22.6	-33.7	0	0	0	113.5	D55 L90	D55-P88 WeakPolarHBondContact OD2-CD 3.33Å; P88-L90 VanDerWaalsContact C-N 3.27Å; P88-L90 PolarHBondContact O-N 2.88Å
89	K	54.7	Low	63.6	Low	202 Å²	202	47.5 Å²	47.5	88%	0.878	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.8	175.1	-69.6	-170.1	177.4	-177.9	0	114	P87	P87-K89 PolarHBondContact O-N 3.41Å
90	L	52.9	Low	63.4	Low	136 Å²	136	51.3 Å²	51.3	71%	0.712	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-32.5	-166.6	-72.3	168.1	0	0	0	115.4	P87 P88	P87-L90 PolarHBondContact O-N 3.3Å; P88-L90 VanDerWaalsContact C-N 3.27Å; P88-L90 PolarHBondContact O-N 2.88Å
91	T	55.1	Low	62.9	Low	36 Å²	36	52.3 Å²	52.3	22%	0.221	25%	0.252	C	S	.	.			trans	-163.1	141.7	-175.6	48.2	0	0	0	0	114.8	P86 F93	P86-T91 WeakPolarHBondContact CB-OG1 3.3Å; P86-T91 WeakPolarHBondContact CD-OG1 3.46Å; P86-T91 WeakPolarHBondContact CG-OG1 3.37Å; T91-F93 HydrophobicContact CG2-CD2 3.93Å; T91-F93 PolarHBondContact O-N 2.99Å; T91-F93 PolarHBondContact OG1-O 3.13Å
92	K	61.6	Low	62.2	Low	176 Å²	176	54.5 Å²	54.5	77%	0.765	26%	0.264	S	S	*	.	S	Bend	trans	-73.3	4.5	161.4	-66.3	-176.8	-179.8	177.8	0	113.3
93	F	62.7	Low	61.2	Low	79 Å²	79	58.5 Å²	58.5	35%	0.346	28%	0.281	S	S	.	.			trans	-104.4	143.2	-169.6	-57.6	-94.3	0	0	0	110.7	P86 T91 K118 L119 T120	P86-F93 WeakPolarHBondContact CD-O 3.3Å; T91-F93 HydrophobicContact CG2-CD2 3.93Å; T91-F93 PolarHBondContact O-N 2.99Å; T91-F93 PolarHBondContact OG1-O 3.13Å; F93-K118 HydrophobicContact CB-CB 3.93Å; F93-K118 HydrophobicContact CB-CD 4.31Å; F93-K118 HydrophobicContact CB-CG 4.21Å; F93-K118 HydrophobicContact CD1-CB 3.79Å; F93-K118 HydrophobicContact CD1-CD 4.47Å; F93-K118 HydrophobicContact CG-CB 4.11Å; F93-K118 HydrophobicContact CG-CD 4.27Å; F93-L119 CarbonylContact C-O 3.51Å; F93-L119 VanDerWaalsContact CA-O 3.26Å; F93-L119 WeakPolarHBondContact CA-O 3.48Å; F93-T120 HydrophobicContact CD1-CG2 3.24Å; F93-T120 HydrophobicContact CE1-CG2 2.96Å; F93-T120 HydrophobicContact CG-CG2 4.28Å; F93-T120 HydrophobicContact CZ-CG2 3.78Å
94	W	64.2	Low	60.1	Low	10 Å²	10	69.3 Å²	69.3	4%	0.038	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.7	164.8	-69.4	77.3	0	0	0	109	D56 R58 L83 R85 K118 L119 W126	D56-W94 HydrophobicContact CB-CH2 3.84Å; D56-W94 HydrophobicContact CB-CZ3 4.28Å; D56-W94 VanDerWaalsContact OD2-CH2 3.3Å; D56-W94 WeakPolarHBondContact OD2-CH2 3.44Å; R58-W94 HydrophobicContact CG-CH2 4.07Å; R58-W94 HydrophobicContact CG-CZ3 4.09Å; L83-W94 HydrophobicContact CB-CD2 4.41Å; L83-W94 HydrophobicContact CB-CE3 3.62Å; L83-W94 HydrophobicContact CB-CZ3 4.13Å; L83-W94 WeakPolarHBondContact O-CZ3 3.27Å; R85-W94 HydrophobicContact CB-CD2 3.91Å; R85-W94 HydrophobicContact CB-CE3 3.69Å; R85-W94 HydrophobicContact CB-CH2 3.8Å; R85-W94 HydrophobicContact CB-CZ2 3.97Å; R85-W94 HydrophobicContact CB-CZ3 3.65Å; R85-W94 HydrophobicContact CG-CD2 4.25Å; R85-W94 HydrophobicContact CG-CZ2 4.19Å; W94-K118 CarbonylContact O-C 3.6Å; W94-K118 VanDerWaalsContact O-CA 3.28Å; W94-K118 WeakPolarHBondContact O-CA 3.5Å; W94-L119 HydrophobicContact CB-CB 4.38Å; W94-L119 PolarHBondContact N-O 2.89Å; W94-L119 PolarHBondContact O-N 3.18Å; W94-W126 HydrophobicContact CD2-CH2 4.21Å; W94-W126 HydrophobicContact CD2-CZ2 4.46Å; W94-W126 AromaticContact CE2-CH2 3.5Å; W94-W126 AromaticContact CE2-CZ2 3.76Å; W94-W126 HydrophobicContact CH2-CH2 4.08Å; W94-W126 HydrophobicContact CH2-CZ3 4.47Å; W94-W126 AromaticContact CZ2-CH2 3.45Å; W94-W126 HydrophobicContact CZ2-CH2 3.45Å; W94-W126 VanDerWaalsContact CZ2-CH2 3.45Å; W94-W126 HydrophobicContact CZ2-CZ2 4.12Å; W94-W126 HydrophobicContact CZ2-CZ3 4.24Å; W94-W126 AromaticContact NE1-CH2 3.73Å; W94-W126 AromaticContact NE1-CZ2 3.48Å
95	Q	67.5	Low	58.6	Low	53 Å²	53	74.9 Å²	74.9	25%	0.248	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.7	164.5	-70	-163.3	11.5	0	0	108.9	Y54 L83 C84 P86 V115	Y54-Q95 HydrophobicContact CE1-CB 4.48Å; Y54-Q95 HydrophobicContact CE1-CG 4.24Å; Y54-Q95 VanDerWaalsContact OH-CD 3.22Å; Y54-Q95 PolarHBondContact OH-NE2 2.63Å; Y54-Q95 PolarHBondContact OH-OE1 3.32Å; L83-Q95 CarbonylContact C-O 3.38Å; L83-Q95 WeakPolarHBondContact CA-O 3.41Å; C84-Q95 PolarHBondContact N-O 2.69Å; C84-Q95 PolarHBondContact O-N 2.73Å; P86-Q95 HydrophobicContact CG-CG 4.49Å; Q95-V115 HydrophobicContact CB-CG1 4.31Å
96	V	63.8	Low	57	Low	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.7	176.1	-171.3	0	0	0	0	107.9	I81 F82 L83 V115 C116 G117 L119 A130	I81-V96 HydrophobicContact CG2-CG1 3.96Å; F82-V96 WeakPolarHBondContact O-CA 3.43Å; L83-V96 HydrophobicContact CD2-CB 4.11Å; L83-V96 HydrophobicContact CD2-CG1 3.89Å; L83-V96 HydrophobicContact CD2-CG2 3.61Å; V96-V115 CarbonylContact O-C 3.53Å; V96-V115 VanDerWaalsContact O-CA 3.26Å; V96-V115 WeakPolarHBondContact O-CA 3.25Å; V96-V115 WeakPolarHBondContact O-CG1 3.37Å; V96-C116 PolarHBondContact O-N 2.98Å; V96-G117 PolarHBondContact N-O 2.92Å; V96-L119 HydrophobicContact CG2-CB 4.2Å; V96-L119 HydrophobicContact CG2-CD1 3.29Å; V96-L119 HydrophobicContact CG2-CG 3.41Å; V96-L119 VanDerWaalsContact CG2-CG 3.41Å; V96-A130 HydrophobicContact CG1-CB 3.82Å
97	G	64.4	Low	55.5	Low	0 Å²	0	81 Å²	81	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168.6	156.8	0	0	0	0	0	113.2	I81 F82 N114	I81-G97 WeakPolarHBondContact CA-O 3.26Å; F82-G97 VanDerWaalsContact CD1-O 3.3Å; F82-G97 WeakPolarHBondContact CD1-O 3.39Å; F82-G97 VanDerWaalsContact CE1-O 3.27Å; F82-G97 WeakPolarHBondContact CE1-O 3.29Å; F82-G97 PolarHBondContact N-O 2.75Å; F82-G97 PolarHBondContact O-N 3.14Å; G97-N114 CarbonylContact C-O 3.56Å; G97-N114 WeakPolarHBondContact CA-O 3.13Å
98	C	60.3	Low	53.8	Low	7 Å²	7	86.8 Å²	86.8	5%	0.047	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.4	-164.2	-47	0	0	0	0	108.9	L79 T80 N114 C116 C134	L79-C98 HydrophobicContact CD1-CB 4.15Å; T80-C98 CarbonylContact O-C 3.57Å; T80-C98 WeakPolarHBondContact O-CA 3.38Å; C98-N114 PolarHBondContact N-O 3.49Å; C98-C116 VanDerWaalsContact SG-SG 3.64Å; C98-C134 HydrophobicContact CB-CB 3.59Å; C98-C134 WeakPolarHBondContact CB-SG 3.46Å; C98-C134 WeakPolarHBondContact SG-CA 3.37Å; C98-C134 WeakPolarHBondContact SG-CB 3.43Å; C98-C134 CovalentContact SG-SG 2Å; C98-C134 PolarHBondContact SG-SG 3.44Å
99	Q	60.5	Low	52.4	Low	22 Å²	22	84.9 Å²	84.9	10%	0.103	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.4	170.8	-167.9	178.1	10	0	0	109.9	T80 V101 D109 S111	T80-Q99 PolarHBondContact N-O 3.26Å; T80-Q99 PolarHBondContact O-N 3.14Å; Q99-V101 HydrophobicContact CG-CG2 4.46Å; Q99-D109 PolarHBondContact NE2-O 3.23Å; Q99-D109 VanDerWaalsContact NE2-O 3.13Å; Q99-S111 PolarHBondContact NE2-O 3.32Å
100	Y	58.4	Low	51.4	Low	87 Å²	87	80 Å²	80	34%	0.341	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.6	171.3	-71.8	-85.3	0	0	0	109.2	L79 C134 T135	L79-Y100 HydrophobicContact CB-CD1 4.3Å; L79-Y100 HydrophobicContact CB-CE1 4.09Å; L79-Y100 HydrophobicContact CD1-CD1 4.1Å; L79-Y100 HydrophobicContact CD1-CD2 4.21Å; L79-Y100 HydrophobicContact CD1-CE1 3.81Å; L79-Y100 HydrophobicContact CD1-CE2 3.9Å; L79-Y100 HydrophobicContact CD1-CG 4.3Å; L79-Y100 HydrophobicContact CD2-CE1 4.16Å; L79-Y100 HydrophobicContact CG-CE1 4.23Å; Y100-C134 WeakPolarHBondContact CE2-O 3.37Å; Y100-C134 VanDerWaalsContact OH-C 3.26Å; Y100-C134 PolarHBondContact OH-O 3.21Å; Y100-T135 WeakPolarHBondContact OH-CA 3.44Å
101	V	55.2	Low	50.7	Low	26 Å²	26	76.3 Å²	76.3	16%	0.158	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.8	170.6	-172.7	0	0	0	0	108.1	M78 Q99	M78-V101 HydrophobicContact CB-CB 4.36Å; M78-V101 PolarHBondContact N-O 2.86Å; M78-V101 PolarHBondContact O-N 3Å; Q99-V101 HydrophobicContact CG-CG2 4.46Å
102	N	50.5	Low	50	Low	46 Å²	46	78.9 Å²	78.9	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	143	171.9	-156	-9.8	0	0	0	110	E75 R104 K105	E75-N102 PolarHBondContact OE2-ND2 2.75Å; N102-R104 PolarHBondContact O-N 3.41Å; N102-K105 PolarHBondContact O-N 3.03Å; N102-K105 VanDerWaalsContact O-N 3.09Å
103	K	48.4	Very low	49.1	Very low	87 Å²	87	72.1 Å²	72.1	38%	0.378	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-38.9	-176.4	-70.7	-171.3	178.3	-174.5	0	113.7	T31 P76 K105	T31-K103 WeakPolarHBondContact OG1-CE 3.46Å; T31-K103 PolarHBondContact OG1-NZ 3.44Å; P76-K103 VanDerWaalsContact CB-CE 3.48Å; P76-K103 VanDerWaalsContact CD-CE 3.46Å; K103-K105 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact O-N 3.17Å
104	R	44.1	Very low	48.4	Very low	228 Å²	228	72.9 Å²	72.9	86%	0.86	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-11	-173.2	-68.7	-168.1	-172.4	-167.3	2.4	113.9	N102	N102-R104 PolarHBondContact O-N 3.41Å
105	K	36.9	Very low	47.8	Very low	121 Å²	121	76.1 Å²	76.1	53%	0.526	39%	0.39	S	S	.	.			trans	-127.4	79.5	173.3	-71.4	-175.7	166.6	-166.7	0	109.1	N102 K103 D109	N102-K105 PolarHBondContact O-N 3.03Å; N102-K105 VanDerWaalsContact O-N 3.09Å; K103-K105 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact O-N 3.17Å; K105-D109 VanDerWaalsContact CD-OD2 3.24Å; K105-D109 WeakPolarHBondContact CD-OD2 3.21Å; K105-D109 WeakPolarHBondContact CE-OD2 3.42Å; K105-D109 IonicContact NZ-OD2 3.37Å; K105-D109 PolarHBondContact NZ-OD2 3.33Å
106	V	36.1	Very low	46.9	Very low	106 Å²	106	76.1 Å²	76.1	64%	0.642	40%	0.395	S	S	*	.			trans	-69.6	-17.6	158.1	-171.3	0	0	0	0	110	L108	V106-L108 PolarHBondContact O-N 2.81Å; V106-L108 VanDerWaalsContact O-N 3.12Å
107	N	34.3	Very low	46.6	Very low	134 Å²	134	77.3 Å²	77.3	72%	0.717	41%	0.408	S	S	*	.	S	Bend	trans	-48.5	124.8	162.8	-90.6	-11.1	0	0	0	108.1	D109	N107-D109 PolarHBondContact O-N 2.85Å
108	L	34.8	Very low	46.3	Very low	164 Å²	164	84 Å²	84	86%	0.859	44%	0.436	S	S	*	.			trans	-54.3	54.1	175.4	-77.1	131.6	0	0	0	111.4	V106 T110	V106-L108 PolarHBondContact O-N 2.81Å; V106-L108 VanDerWaalsContact O-N 3.12Å; L108-T110 PolarHBondContact O-N 2.94Å
109	D	33.4	Very low	46	Very low	63 Å²	63	84.5 Å²	84.5	34%	0.337	44%	0.439	S	S	.	.			trans	-72.1	87.2	178.3	-125.7	-7	0	0	0	103.5	Q99 K105 N107 S111	Q99-D109 PolarHBondContact NE2-O 3.23Å; Q99-D109 VanDerWaalsContact NE2-O 3.13Å; K105-D109 VanDerWaalsContact CD-OD2 3.24Å; K105-D109 WeakPolarHBondContact CD-OD2 3.21Å; K105-D109 WeakPolarHBondContact CE-OD2 3.42Å; K105-D109 IonicContact NZ-OD2 3.37Å; K105-D109 PolarHBondContact NZ-OD2 3.33Å; N107-D109 PolarHBondContact O-N 2.85Å; D109-S111 WeakPolarHBondContact CB-OG 3.16Å; D109-S111 PolarHBondContact O-N 3.37Å; D109-S111 PolarHBondContact O-OG 3.41Å
110	T	34.9	Very low	45.8	Very low	99 Å²	99	88 Å²	88	61%	0.607	46%	0.462	S	S	*	.			trans	-46.3	-5.2	162.7	38.8	0	0	0	0	112.2	W44 L108 T112	W44-T110 HydrophobicContact CH2-CG2 3.97Å; L108-T110 PolarHBondContact O-N 2.94Å; T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 3.23Å
111	S	36.7	Very low	45.4	Very low	58 Å²	58	86.1 Å²	86.1	41%	0.406	46%	0.464	S	S	.	.			trans	-32.1	89.4	162.9	65	0	0	0	0	112.3	Q99 D109	Q99-S111 PolarHBondContact NE2-O 3.32Å; D109-S111 WeakPolarHBondContact CB-OG 3.16Å; D109-S111 PolarHBondContact O-N 3.37Å; D109-S111 PolarHBondContact O-OG 3.41Å
112	T	40.4	Very low	45	Very low	91 Å²	91	90.6 Å²	90.6	56%	0.558	49%	0.487	S	S	*	.			trans	62.5	91.3	146.1	-16.1	0	0	0	0	115.1	T110 N114	T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 3.23Å; T112-N114 VanDerWaalsContact C-N 3.33Å; T112-N114 WeakPolarHBondContact CG2-OD1 3.46Å; T112-N114 PolarHBondContact O-N 3.09Å; T112-N114 VanDerWaalsContact O-N 3.08Å
113	I	43.5	Very low	45	Very low	34 Å²	34	92.8 Å²	92.8	17%	0.174	50%	0.504	C	S	.	.			trans	-61.6	99.1	149.8	-77	172.7	0	0	0	106.3	K45 Y48 F82 V115	K45-I113 HydrophobicContact CD-CD1 4.22Å; Y48-I113 HydrophobicContact CD1-CD1 3.49Å; Y48-I113 VanDerWaalsContact CD1-CD1 3.49Å; Y48-I113 HydrophobicContact CD2-CD1 4.42Å; Y48-I113 HydrophobicContact CE1-CD1 3.47Å; Y48-I113 VanDerWaalsContact CE1-CD1 3.47Å; Y48-I113 HydrophobicContact CE1-CG2 4.27Å; Y48-I113 HydrophobicContact CE2-CD1 4.43Å; Y48-I113 HydrophobicContact CG-CD1 3.98Å; F82-I113 HydrophobicContact CE1-CB 4.29Å; F82-I113 HydrophobicContact CE1-CG1 3.82Å; F82-I113 HydrophobicContact CE1-CG2 4.15Å; F82-I113 HydrophobicContact CE2-CB 4.36Å; F82-I113 HydrophobicContact CE2-CG1 4.36Å; F82-I113 HydrophobicContact CE2-CG2 3.38Å; F82-I113 HydrophobicContact CZ-CB 3.64Å; F82-I113 HydrophobicContact CZ-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CG1 3.6Å; F82-I113 HydrophobicContact CZ-CG2 3.08Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; I113-V115 PolarHBondContact O-N 3.45Å
114	N	48.7	Very low	44.8	Very low	94 Å²	94	94.3 Å²	94.3	50%	0.503	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.5	167.9	-74.2	-13	0	0	0	107.1	G97 C98 T112 C116	G97-N114 CarbonylContact C-O 3.56Å; G97-N114 WeakPolarHBondContact CA-O 3.13Å; C98-N114 PolarHBondContact N-O 3.49Å; T112-N114 VanDerWaalsContact C-N 3.33Å; T112-N114 WeakPolarHBondContact CG2-OD1 3.46Å; T112-N114 PolarHBondContact O-N 3.09Å; T112-N114 VanDerWaalsContact O-N 3.08Å; N114-C116 PolarHBondContact O-N 3.23Å; N114-C116 PolarHBondContact O-SG 3.32Å; N114-C116 VanDerWaalsContact O-SG 3.32Å
115	V	50.9	Low	45.1	Very low	79 Å²	79	86.6 Å²	86.6	48%	0.479	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	102.9	170.1	-179.8	0	0	0	0	106.9	Q95 V96 I113	Q95-V115 HydrophobicContact CB-CG1 4.31Å; V96-V115 CarbonylContact O-C 3.53Å; V96-V115 VanDerWaalsContact O-CA 3.26Å; V96-V115 WeakPolarHBondContact O-CA 3.25Å; V96-V115 WeakPolarHBondContact O-CG1 3.37Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; I113-V115 PolarHBondContact O-N 3.45Å
116	C	49.7	Very low	45.6	Very low	52 Å²	52	81.3 Å²	81.3	35%	0.351	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-7.9	-171.3	-53.5	0	0	0	0	113.2	V96 C98 N114 T133	V96-C116 PolarHBondContact O-N 2.98Å; C98-C116 VanDerWaalsContact SG-SG 3.64Å; N114-C116 PolarHBondContact O-N 3.23Å; N114-C116 PolarHBondContact O-SG 3.32Å; N114-C116 VanDerWaalsContact O-SG 3.32Å; C116-T133 HydrophobicContact CB-CG2 3.41Å; C116-T133 VanDerWaalsContact CB-CG2 3.41Å; C116-T133 WeakPolarHBondContact O-CG2 3.16Å
117	G	56.9	Low	46.3	Very low	26 Å²	26	78.2 Å²	78.2	27%	0.268	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-166.5	173.7	0	0	0	0	0	117	V96	V96-G117 PolarHBondContact N-O 2.92Å
118	K	57.9	Low	47.3	Very low	139 Å²	139	77.8 Å²	77.8	60%	0.604	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.2	179.6	-73.3	-178.3	-176.6	176.3	0	110.2	F93 W94	F93-K118 HydrophobicContact CB-CB 3.93Å; F93-K118 HydrophobicContact CB-CD 4.31Å; F93-K118 HydrophobicContact CB-CG 4.21Å; F93-K118 HydrophobicContact CD1-CB 3.79Å; F93-K118 HydrophobicContact CD1-CD 4.47Å; F93-K118 HydrophobicContact CG-CB 4.11Å; F93-K118 HydrophobicContact CG-CD 4.27Å; W94-K118 CarbonylContact O-C 3.6Å; W94-K118 VanDerWaalsContact O-CA 3.28Å; W94-K118 WeakPolarHBondContact O-CA 3.5Å
119	L	54.2	Low	48.4	Very low	18 Å²	18	72.9 Å²	72.9	9%	0.094	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.3	175.4	-71.5	177.4	0	0	0	112.2	L83 F93 W94 V96 N129 A130	L83-L119 HydrophobicContact CD2-CD1 4.18Å; F93-L119 CarbonylContact C-O 3.51Å; F93-L119 VanDerWaalsContact CA-O 3.26Å; F93-L119 WeakPolarHBondContact CA-O 3.48Å; W94-L119 HydrophobicContact CB-CB 4.38Å; W94-L119 PolarHBondContact N-O 2.89Å; W94-L119 PolarHBondContact O-N 3.18Å; V96-L119 HydrophobicContact CG2-CB 4.2Å; V96-L119 HydrophobicContact CG2-CD1 3.29Å; V96-L119 HydrophobicContact CG2-CG 3.41Å; V96-L119 VanDerWaalsContact CG2-CG 3.41Å; L119-N129 HydrophobicContact CD1-CB 4.45Å; L119-N129 HydrophobicContact CD2-CB 3.59Å; L119-A130 HydrophobicContact CD1-CB 4.1Å
120	T	55.2	Low	49.5	Very low	96 Å²	96	69.9 Å²	69.9	59%	0.589	41%	0.406	S	S	*	.			trans	-89.1	-29.2	-178.6	44.2	0	0	0	0	115.7	F93	F93-T120 HydrophobicContact CD1-CG2 3.24Å; F93-T120 HydrophobicContact CE1-CG2 2.96Å; F93-T120 HydrophobicContact CG-CG2 4.28Å; F93-T120 HydrophobicContact CZ-CG2 3.78Å
121	A	50.1	Low	50.5	Low	48 Å²	48	66.4 Å²	66.4	40%	0.397	38%	0.384	S	S	.	.	S	Bend	trans	-123.4	132.2	-158.5	0	0	0	0	0	113.3	W126	A121-W126 VanDerWaalsContact C-NE1 3.26Å; A121-W126 PolarHBondContact O-NE1 3.09Å
122	L	47.9	Very low	51.6	Low	120 Å²	120	72.1 Å²	72.1	63%	0.628	40%	0.396	S	S	*	.			trans	-66.9	178.1	177.8	-68.7	149.8	0	0	0	114.6	T125 W126	L122-T125 PolarHBondContact O-OG1 3.37Å; L122-W126 HydrophobicContact CD2-CH2 4.17Å; L122-W126 HydrophobicContact CD2-CZ2 3.55Å; L122-W126 HydrophobicContact CG-CZ2 4.22Å
123	P	49.8	Very low	52.3	Low	92 Å²	92	69.6 Å²	69.6	60%	0.597	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn		-101.4	-15.3	-62.3	32	-21.4	0	0	0	113
124	V	44.5	Very low	52.8	Low	118 Å²	118	68.1 Å²	68.1	72%	0.715	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-37.6	179.2	175	0	0	0	0	111.8	W126 Y127	V124-W126 PolarHBondContact O-N 3.06Å; V124-Y127 PolarHBondContact O-N 3.12Å
125	T	50.1	Low	52.9	Low	67 Å²	67	68 Å²	68	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-15.5	174.9	53.7	0	0	0	0	112	L122 Y127 N129	L122-T125 PolarHBondContact O-OG1 3.37Å; T125-Y127 PolarHBondContact O-N 3.17Å; T125-N129 WeakPolarHBondContact O-CB 3.43Å; T125-N129 PolarHBondContact O-N 3.12Å; T125-N129 PolarHBondContact O-ND2 3.44Å
126	W	48.7	Very low	52.2	Low	9 Å²	9	73.4 Å²	73.4	3%	0.034	40%	0.401	C	S	.	.	H	α-helix	trans	-54.1	-53.2	173.4	-77.7	11.4	0	0	0	112.3	R58 L83 W94 A121 L122 V124 A130	R58-W126 HydrophobicContact CG-CZ3 4.44Å; L83-W126 HydrophobicContact CD1-CB 4.48Å; L83-W126 HydrophobicContact CD1-CD2 4.09Å; L83-W126 HydrophobicContact CD1-CE3 3.47Å; L83-W126 VanDerWaalsContact CD1-CE3 3.47Å; L83-W126 HydrophobicContact CD1-CZ3 4.02Å; W94-W126 HydrophobicContact CD2-CH2 4.21Å; W94-W126 HydrophobicContact CD2-CZ2 4.46Å; W94-W126 AromaticContact CE2-CH2 3.5Å; W94-W126 AromaticContact CE2-CZ2 3.76Å; W94-W126 HydrophobicContact CH2-CH2 4.08Å; W94-W126 HydrophobicContact CH2-CZ3 4.47Å; W94-W126 AromaticContact CZ2-CH2 3.45Å; W94-W126 HydrophobicContact CZ2-CH2 3.45Å; W94-W126 VanDerWaalsContact CZ2-CH2 3.45Å; W94-W126 HydrophobicContact CZ2-CZ2 4.12Å; W94-W126 HydrophobicContact CZ2-CZ3 4.24Å; W94-W126 AromaticContact NE1-CH2 3.73Å; W94-W126 AromaticContact NE1-CZ2 3.48Å; A121-W126 VanDerWaalsContact C-NE1 3.26Å; A121-W126 PolarHBondContact O-NE1 3.09Å; L122-W126 HydrophobicContact CD2-CH2 4.17Å; L122-W126 HydrophobicContact CD2-CZ2 3.55Å; L122-W126 HydrophobicContact CG-CZ2 4.22Å; V124-W126 PolarHBondContact O-N 3.06Å; W126-A130 WeakPolarHBondContact O-CA 3.44Å; W126-A130 WeakPolarHBondContact O-CB 3.46Å; W126-A130 PolarHBondContact O-N 3.31Å
127	Y	50.3	Low	52.3	Low	41 Å²	41	74.5 Å²	74.5	16%	0.161	40%	0.404	C	S	.	.	H	α-helix	trans	-67.9	-44.6	-172.6	176.7	-113.4	0	0	0	110.4	S16 I60 H62 V124 T125 L131	S16-Y127 PolarHBondContact OG-OH 2.92Å; I60-Y127 HydrophobicContact CD1-CD2 4.34Å; I60-Y127 HydrophobicContact CG2-CD2 3.71Å; I60-Y127 HydrophobicContact CG2-CE2 3.8Å; H62-Y127 HydrophobicContact CB-CE2 4.27Å; H62-Y127 PolarHBondContact CE1-OH 2.86Å; H62-Y127 PolarHBondContact ND1-OH 3.1Å; V124-Y127 PolarHBondContact O-N 3.12Å; T125-Y127 PolarHBondContact O-N 3.17Å; Y127-L131 HydrophobicContact CD1-CD1 3.77Å; Y127-L131 HydrophobicContact CD2-CD1 4.23Å; Y127-L131 HydrophobicContact CD2-CG 4.17Å; Y127-L131 HydrophobicContact CE1-CD1 3.29Å; Y127-L131 HydrophobicContact CE1-CG 4.23Å; Y127-L131 HydrophobicContact CE2-CD1 3.81Å; Y127-L131 HydrophobicContact CE2-CD2 4.22Å; Y127-L131 HydrophobicContact CE2-CG 3.86Å; Y127-L131 HydrophobicContact CG-CD1 4.24Å; Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 WeakPolarHBondContact O-CG 3.3Å; Y127-L131 PolarHBondContact O-N 2.84Å
128	M	55.6	Low	52.1	Low	125 Å²	125	77.1 Å²	77.1	62%	0.616	41%	0.411	S	S	*	.	H	α-helix	trans	-68.8	-42.2	178.7	-66	-56.3	-142.5	0	0	112.4	L131 R132	M128-L131 HydrophobicContact SD-CD1 4.27Å; M128-R132 VanDerWaalsContact O-CB 3.25Å; M128-R132 WeakPolarHBondContact O-CB 3.08Å; M128-R132 PolarHBondContact O-N 3.18Å
129	N	56.5	Low	51.8	Low	62 Å²	62	73.6 Å²	73.6	33%	0.332	40%	0.4	S	S	.	.	H	α-helix	trans	-68.7	-45.8	177.4	-72.8	-18.2	0	0	0	111	L119 T125 L131 R132 T133	L119-N129 HydrophobicContact CD1-CB 4.45Å; L119-N129 HydrophobicContact CD2-CB 3.59Å; T125-N129 WeakPolarHBondContact O-CB 3.43Å; T125-N129 PolarHBondContact O-N 3.12Å; T125-N129 PolarHBondContact O-ND2 3.44Å; N129-L131 PolarHBondContact O-N 3.47Å; N129-R132 CarbonylContact O-C 3.54Å; N129-R132 WeakPolarHBondContact O-CA 3.38Å; N129-R132 WeakPolarHBondContact O-CB 3.31Å; N129-R132 PolarHBondContact O-N 2.91Å; N129-R132 VanDerWaalsContact O-N 3.12Å; N129-T133 WeakPolarHBondContact O-CB 3.45Å; N129-T133 PolarHBondContact O-N 3.17Å; N129-T133 PolarHBondContact O-OG1 3.13Å
130	A	57.2	Low	51.6	Low	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-42.5	176.9	0	0	0	0	0	111.1	I81 L83 V96 L119 W126 R132 T133 C134	I81-A130 HydrophobicContact CD1-CB 4.11Å; I81-A130 HydrophobicContact CG2-CB 3.57Å; L83-A130 HydrophobicContact CD2-CB 4.29Å; V96-A130 HydrophobicContact CG1-CB 3.82Å; L119-A130 HydrophobicContact CD1-CB 4.1Å; W126-A130 WeakPolarHBondContact O-CA 3.44Å; W126-A130 WeakPolarHBondContact O-CB 3.46Å; W126-A130 PolarHBondContact O-N 3.31Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.13Å; A130-T133 PolarHBondContact O-N 3.49Å; A130-C134 VanDerWaalsContact O-CB 3.32Å; A130-C134 WeakPolarHBondContact O-CB 3.47Å; A130-C134 PolarHBondContact O-N 2.95Å; A130-C134 PolarHBondContact O-SG 2.86Å
131	L	56.5	Low	51.4	Low	26 Å²	26	75.7 Å²	75.7	14%	0.136	41%	0.407	C	S	.	.	H	α-helix	trans	-54.1	-51.5	169.7	-83.9	175.8	0	0	0	110.2	H62 L79 I81 Y127 M128 N129 T133 C134 T135	H62-L131 HydrophobicContact CB-CD2 4.43Å; L79-L131 HydrophobicContact CD2-CD2 3.7Å; I81-L131 HydrophobicContact CD1-CD2 3.94Å; I81-L131 HydrophobicContact CD1-CG 4.06Å; Y127-L131 HydrophobicContact CD1-CD1 3.77Å; Y127-L131 HydrophobicContact CD2-CD1 4.23Å; Y127-L131 HydrophobicContact CD2-CG 4.17Å; Y127-L131 HydrophobicContact CE1-CD1 3.29Å; Y127-L131 HydrophobicContact CE1-CG 4.23Å; Y127-L131 HydrophobicContact CE2-CD1 3.81Å; Y127-L131 HydrophobicContact CE2-CD2 4.22Å; Y127-L131 HydrophobicContact CE2-CG 3.86Å; Y127-L131 HydrophobicContact CG-CD1 4.24Å; Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 WeakPolarHBondContact O-CG 3.3Å; Y127-L131 PolarHBondContact O-N 2.84Å; M128-L131 HydrophobicContact SD-CD1 4.27Å; N129-L131 PolarHBondContact O-N 3.47Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.19Å; L131-C134 CarbonylContact O-C 3.57Å; L131-C134 PolarHBondContact O-N 2.97Å; L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 VanDerWaalsContact O-CG2 3.3Å; L131-T135 WeakPolarHBondContact O-CG2 3.38Å; L131-T135 PolarHBondContact O-N 2.81Å; L131-T135 PolarHBondContact O-OG1 2.87Å
132	R	58.7	Low	51.5	Low	178 Å²	178	77.5 Å²	77.5	67%	0.672	41%	0.408	S	S	*	.	H	α-helix	trans	-57.6	-44.8	179.7	-168.3	176.9	-174	177.6	1.8	111.7	M128 N129 A130 C134 T135 L136	M128-R132 VanDerWaalsContact O-CB 3.25Å; M128-R132 WeakPolarHBondContact O-CB 3.08Å; M128-R132 PolarHBondContact O-N 3.18Å; N129-R132 CarbonylContact O-C 3.54Å; N129-R132 WeakPolarHBondContact O-CA 3.38Å; N129-R132 WeakPolarHBondContact O-CB 3.31Å; N129-R132 PolarHBondContact O-N 2.91Å; N129-R132 VanDerWaalsContact O-N 3.12Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.13Å; R132-C134 VanDerWaalsContact C-N 3.31Å; R132-C134 PolarHBondContact O-N 3.11Å; R132-T135 WeakPolarHBondContact CA-OG1 3.24Å; R132-T135 PolarHBondContact O-N 2.93Å; R132-T135 PolarHBondContact O-OG1 3.1Å; R132-L136 WeakPolarHBondContact O-CG 3.16Å; R132-L136 PolarHBondContact O-N 3.32Å
133	T	55.2	Low	51.8	Low	38 Å²	38	74.5 Å²	74.5	23%	0.233	39%	0.392	C	S	.	.	H	α-helix	trans	-67.7	-30.9	177.4	-45.1	0	0	0	0	112.1	C116 N129 A130 L131	C116-T133 HydrophobicContact CB-CG2 3.41Å; C116-T133 VanDerWaalsContact CB-CG2 3.41Å; C116-T133 WeakPolarHBondContact O-CG2 3.16Å; N129-T133 WeakPolarHBondContact O-CB 3.45Å; N129-T133 PolarHBondContact O-N 3.17Å; N129-T133 PolarHBondContact O-OG1 3.13Å; A130-T133 PolarHBondContact O-N 3.49Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.19Å
134	C	53.8	Low	51.9	Low	3 Å²	3	73.2 Å²	73.2	2%	0.02	38%	0.377	C	S	.	.	H	α-helix	trans	-80.5	-33.9	176.1	-63.4	0	0	0	0	113.4	L79 C98 Y100 A130 L131 R132	L79-C134 HydrophobicContact CD1-CB 4.07Å; L79-C134 HydrophobicContact CD2-CB 3.93Å; C98-C134 HydrophobicContact CB-CB 3.59Å; C98-C134 WeakPolarHBondContact CB-SG 3.46Å; C98-C134 WeakPolarHBondContact SG-CA 3.37Å; C98-C134 WeakPolarHBondContact SG-CB 3.43Å; C98-C134 CovalentContact SG-SG 2Å; C98-C134 PolarHBondContact SG-SG 3.44Å; Y100-C134 WeakPolarHBondContact CE2-O 3.37Å; Y100-C134 VanDerWaalsContact OH-C 3.26Å; Y100-C134 PolarHBondContact OH-O 3.21Å; A130-C134 VanDerWaalsContact O-CB 3.32Å; A130-C134 WeakPolarHBondContact O-CB 3.47Å; A130-C134 PolarHBondContact O-N 2.95Å; A130-C134 PolarHBondContact O-SG 2.86Å; L131-C134 CarbonylContact O-C 3.57Å; L131-C134 PolarHBondContact O-N 2.97Å; R132-C134 VanDerWaalsContact C-N 3.31Å; R132-C134 PolarHBondContact O-N 3.11Å
135	T	51.6	Low	52.6	Low	90 Å²	90	69.4 Å²	69.4	55%	0.552	35%	0.349	S	S	*	.	H	α-helix	trans	-83.7	-9	-174.6	51.5	0	0	0	0	114.4	Y100 L131 R132	Y100-T135 WeakPolarHBondContact OH-CA 3.44Å; L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 VanDerWaalsContact O-CG2 3.3Å; L131-T135 WeakPolarHBondContact O-CG2 3.38Å; L131-T135 PolarHBondContact O-N 2.81Å; L131-T135 PolarHBondContact O-OG1 2.87Å; R132-T135 WeakPolarHBondContact CA-OG1 3.24Å; R132-T135 PolarHBondContact O-N 2.93Å; R132-T135 PolarHBondContact O-OG1 3.1Å
136	L	36.5	Very low	52.8	Low	194 Å²	194	69.6 Å²	69.6	100%	1.016	34%	0.343	S	S	*	.			trans	-74.9	0	167.9	-69.9	169.4	0	0	0	109.6	R132	R132-L136 WeakPolarHBondContact O-CG 3.16Å; R132-L136 PolarHBondContact O-N 3.32Å

Retrieved 136 of 136 residues in 163 ms (Link to these results)

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