A0A077ZLI5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077ZLI5_TRITR|A0A077ZLI5
MQAYNQSLKKNPNAVRMNEEHVKAAFIYFEKEKRKFEARQAEIEAEATDDDVQALEARLESLKITLSIPGVPADLELALPEYWLEKSQTRGGRFEVYLTDDESADESYANEGSRIDD
					

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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	47.5	Very low	47.6	Very low	175 Å²	175	102.3 Å²	102.3	86%	0.862	49%	0.493	S	S	*	.				0	-24.4	0	-85.4	-165.2	-154.5	0	0	116.4	A3 Y82	M1-A3 PolarHBondContact O-N 3.4Å; M1-Y82 WeakPolarHBondContact CA-OH 3.36Å; M1-Y82 WeakPolarHBondContact CG-OH 3.15Å; M1-Y82 PolarHBondContact N-OH 2.94Å
2	Q	40.1	Very low	48.2	Very low	163 Å²	163	103.3 Å²	103.3	76%	0.762	51%	0.514	S	S	*	.	H	α-helix	trans	-67.1	-32	-173.7	-71.2	-175.4	-4.1	0	0	114.8	N5 Q6	Q2-N5 PolarHBondContact O-N 3.47Å; Q2-Q6 PolarHBondContact O-N 3.1Å
3	A	46.8	Very low	48.7	Very low	25 Å²	25	106.8 Å²	106.8	21%	0.207	54%	0.536	C	S	.	.	H	α-helix	trans	-62.5	-47.6	-179.3	0	0	0	0	0	114	M1 N5 Q6 S7 E81	M1-A3 PolarHBondContact O-N 3.4Å; A3-N5 VanDerWaalsContact C-N 3.3Å; A3-N5 PolarHBondContact O-N 3.14Å; A3-Q6 PolarHBondContact O-N 2.69Å; A3-S7 PolarHBondContact O-N 3.3Å; A3-E81 HydrophobicContact CB-CB 4.07Å; A3-E81 VanDerWaalsContact CB-CD 3.46Å; A3-E81 HydrophobicContact CB-CG 4.4Å; A3-E81 VanDerWaalsContact CB-OE1 3.26Å; A3-E81 WeakPolarHBondContact CB-OE1 3.35Å
4	Y	41	Very low	48.9	Very low	62 Å²	62	100.5 Å²	100.5	24%	0.243	51%	0.508	C	S	.	.	H	α-helix	trans	-59.4	-40.7	179.4	-178.8	-119.9	0	0	0	112.4	Q6 S7 L8 A78	Y4-Q6 VanDerWaalsContact C-N 3.28Å; Y4-Q6 PolarHBondContact O-N 3.32Å; Y4-S7 PolarHBondContact O-N 3.18Å; Y4-S7 PolarHBondContact O-OG 3.23Å; Y4-L8 HydrophobicContact CD1-CD1 3.92Å; Y4-L8 HydrophobicContact CD2-CD1 4.47Å; Y4-L8 HydrophobicContact CE1-CD1 3.56Å; Y4-L8 HydrophobicContact CE2-CD1 4.19Å; Y4-L8 HydrophobicContact CE2-CG 4.31Å; Y4-L8 HydrophobicContact CG-CD1 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.26Å; Y4-L8 PolarHBondContact O-N 2.92Å; Y4-L8 VanDerWaalsContact O-N 3.16Å; Y4-A78 HydrophobicContact CD2-CB 3.5Å; Y4-A78 HydrophobicContact CE2-CB 4.33Å; Y4-A78 HydrophobicContact CG-CB 4.33Å
5	N	45.9	Very low	49.3	Very low	93 Å²	93	97.9 Å²	97.9	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-70.6	-23.3	176.9	-74.9	-35.4	0	0	0	113.1	Q2 A3 K9	Q2-N5 PolarHBondContact O-N 3.47Å; A3-N5 VanDerWaalsContact C-N 3.3Å; A3-N5 PolarHBondContact O-N 3.14Å; N5-K9 WeakPolarHBondContact O-CG 3.06Å; N5-K9 PolarHBondContact O-N 3.16Å
6	Q	46.6	Very low	49.8	Very low	121 Å²	121	105.1 Å²	105.1	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-79.5	-36.8	173.4	-75.4	-165.1	12.3	0	0	112.8	Q2 A3 Y4 K9 K10	Q2-Q6 PolarHBondContact O-N 3.1Å; A3-Q6 PolarHBondContact O-N 2.69Å; Y4-Q6 VanDerWaalsContact C-N 3.28Å; Y4-Q6 PolarHBondContact O-N 3.32Å; Q6-K9 PolarHBondContact O-N 3.28Å; Q6-K10 PolarHBondContact O-N 3.41Å
7	S	44.1	Very low	50.3	Low	21 Å²	21	101.1 Å²	101.1	15%	0.147	50%	0.498	C	S	.	.	H	α-helix	trans	-66.8	-42.3	175.5	81.6	0	0	0	0	111.3	A3 Y4 K9 K10 N11	A3-S7 PolarHBondContact O-N 3.3Å; Y4-S7 PolarHBondContact O-N 3.18Å; Y4-S7 PolarHBondContact O-OG 3.23Å; S7-K9 PolarHBondContact O-N 3.19Å; S7-K10 PolarHBondContact O-N 3.05Å; S7-N11 PolarHBondContact O-N 3.39Å
8	L	50.2	Low	51.1	Low	46 Å²	46	99.2 Å²	99.2	24%	0.241	49%	0.491	C	S	.	.	H	α-helix	trans	-60.4	-28.3	174.9	-71.5	175.1	0	0	0	113.5	Y4 N11 A14	Y4-L8 HydrophobicContact CD1-CD1 3.92Å; Y4-L8 HydrophobicContact CD2-CD1 4.47Å; Y4-L8 HydrophobicContact CE1-CD1 3.56Å; Y4-L8 HydrophobicContact CE2-CD1 4.19Å; Y4-L8 HydrophobicContact CE2-CG 4.31Å; Y4-L8 HydrophobicContact CG-CD1 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.26Å; Y4-L8 PolarHBondContact O-N 2.92Å; Y4-L8 VanDerWaalsContact O-N 3.16Å; L8-N11 CarbonylContact O-C 3.58Å; L8-A14 HydrophobicContact CD2-CB 3.72Å
9	K	53.6	Low	51.8	Low	179 Å²	179	101 Å²	101	78%	0.778	50%	0.497	S	S	*	.	H	α-helix	trans	-74.6	-25.6	174.1	-79.6	178.6	-179.6	-177.6	0	113.2	N5 Q6 S7	N5-K9 WeakPolarHBondContact O-CG 3.06Å; N5-K9 PolarHBondContact O-N 3.16Å; Q6-K9 PolarHBondContact O-N 3.28Å; S7-K9 PolarHBondContact O-N 3.19Å
10	K	56.3	Low	52.6	Low	166 Å²	166	103.2 Å²	103.2	72%	0.722	51%	0.506	S	S	*	.	H	α-helix	trans	-83	-27.9	178	-71.1	-178.9	179.3	175.6	0	112.3	Q6 S7	Q6-K10 PolarHBondContact O-N 3.41Å; S7-K10 PolarHBondContact O-N 3.05Å
11	N	52	Low	53.2	Low	74 Å²	74	100.3 Å²	100.3	40%	0.396	49%	0.492	S	S	.	.			trans	-121.3	89.1	178.8	-75.7	-48.3	0	0	0	111.1	S7 L8 N13 A14 E76	S7-N11 PolarHBondContact O-N 3.39Å; L8-N11 CarbonylContact O-C 3.58Å; N11-N13 PolarHBondContact O-N 3.25Å; N11-N13 VanDerWaalsContact O-N 3.1Å; N11-A14 HydrophobicContact CB-CB 4.04Å; N11-A14 WeakPolarHBondContact O-CB 2.93Å; N11-A14 PolarHBondContact O-N 3.49Å; N11-E76 PolarHBondContact ND2-OE1 2.98Å; N11-E76 PolarHBondContact ND2-OE2 3.2Å
12	P	54.2	Low	54	Low	115 Å²	115	95.3 Å²	95.3	75%	0.747	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.2	-179.9	26.4	-34.7	0	0	0	113.7
13	N	54.3	Low	55.2	Low	149 Å²	149	93 Å²	93	80%	0.797	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	0.9	174.2	-64.1	-26.4	0	0	0	113	N11 V15	N11-N13 PolarHBondContact O-N 3.25Å; N11-N13 VanDerWaalsContact O-N 3.1Å; N13-V15 PolarHBondContact O-N 3.31Å; N13-V15 VanDerWaalsContact O-N 3.14Å
14	A	51.6	Low	56.1	Low	18 Å²	18	93.5 Å²	93.5	15%	0.149	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-63.1	118.3	178.4	0	0	0	0	0	109.5	L8 N11 R16	L8-A14 HydrophobicContact CD2-CB 3.72Å; N11-A14 HydrophobicContact CB-CB 4.04Å; N11-A14 WeakPolarHBondContact O-CB 2.93Å; N11-A14 PolarHBondContact O-N 3.49Å; A14-R16 PolarHBondContact O-N 3.4Å
15	V	55.1	Low	57.3	Low	61 Å²	61	90.6 Å²	90.6	37%	0.37	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-61.8	122.6	175.3	178.1	0	0	0	0	108.2	N13 M17 L75	N13-V15 PolarHBondContact O-N 3.31Å; N13-V15 VanDerWaalsContact O-N 3.14Å; V15-M17 PolarHBondContact O-N 2.99Å; V15-M17 VanDerWaalsContact O-N 3.16Å; V15-L75 HydrophobicContact CB-CD1 4.25Å; V15-L75 HydrophobicContact CG1-CD1 4.36Å
16	R	57	Low	58.2	Low	214 Å²	214	90.5 Å²	90.5	81%	0.808	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.6	123.3	172.4	-76	-174.2	176.7	-177	-0.9	108.7	A14 N18	A14-R16 PolarHBondContact O-N 3.4Å; R16-N18 PolarHBondContact O-N 2.97Å
17	M	59.4	Low	59.4	Low	37 Å²	37	90.2 Å²	90.2	18%	0.182	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-59.8	127.5	169.7	-66.8	-174.6	81.5	0	0	109.3	V15 H21 V22 L75 L77	V15-M17 PolarHBondContact O-N 2.99Å; V15-M17 VanDerWaalsContact O-N 3.16Å; M17-H21 HydrophobicContact CE-CB 4.42Å; M17-V22 HydrophobicContact CB-CG2 4.13Å; M17-V22 HydrophobicContact CE-CB 4.37Å; M17-V22 HydrophobicContact CE-CG2 3.65Å; M17-V22 HydrophobicContact SD-CG2 4.32Å; M17-L75 HydrophobicContact CE-CD2 4Å; M17-L75 HydrophobicContact CG-CD1 3.95Å; M17-L75 HydrophobicContact CG-CD2 3.58Å; M17-L75 HydrophobicContact CG-CG 4.16Å; M17-L75 HydrophobicContact SD-CD2 3.82Å; M17-L77 HydrophobicContact CE-CD2 3.38Å; M17-L77 HydrophobicContact SD-CD2 4.06Å
18	N	64.8	Low	60.6	Low	67 Å²	67	91.8 Å²	91.8	36%	0.358	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-89.5	168.2	162.3	67.3	21.9	0	0	0	108.8	R16 E20 H21 V22	R16-N18 PolarHBondContact O-N 2.97Å; N18-E20 PolarHBondContact O-N 3.24Å; N18-E20 PolarHBondContact OD1-N 3.05Å; N18-H21 PolarHBondContact ND2-CE1 3.28Å; N18-H21 PolarHBondContact ND2-NE2 3.49Å; N18-H21 PolarHBondContact O-N 3.24Å; N18-H21 WeakPolarHBondContact OD1-CB 3.49Å; N18-H21 PolarHBondContact OD1-CD2 3.36Å; N18-H21 VanDerWaalsContact OD1-CD2 3.28Å; N18-H21 PolarHBondContact OD1-N 2.91Å; N18-H21 PolarHBondContact OD1-ND1 3.21Å; N18-V22 PolarHBondContact O-N 2.86Å
19	E	63.6	Low	61.4	Low	133 Å²	133	91.9 Å²	91.9	62%	0.621	45%	0.449	S	S	*	.	H	α-helix	trans	-58.7	-34.1	-179.1	-169.7	-176.8	97	0	0	112.5	V22 K23	E19-V22 PolarHBondContact O-N 3.23Å; E19-K23 HydrophobicContact CG-CD 4.23Å; E19-K23 WeakPolarHBondContact O-CB 3.21Å; E19-K23 WeakPolarHBondContact O-CG 3.13Å; E19-K23 PolarHBondContact O-N 3.31Å; E19-K23 WeakPolarHBondContact OE1-CE 3.04Å; E19-K23 IonicContact OE1-NZ 3.4Å; E19-K23 PolarHBondContact OE1-NZ 3.16Å
20	E	68.7	Low	62.2	Low	145 Å²	145	86.8 Å²	86.8	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-66.6	-39.5	178.2	-62.9	-171.7	98.8	0	0	112.2	N18 V22 K23 A24	N18-E20 PolarHBondContact O-N 3.24Å; N18-E20 PolarHBondContact OD1-N 3.05Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-K23 PolarHBondContact O-N 3.21Å; E20-A24 VanDerWaalsContact O-CB 3.26Å; E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 3.18Å
21	H	64.4	Low	63	Low	42 Å²	42	85 Å²	85	19%	0.194	42%	0.421	C	S	.	.	H	α-helix	trans	-64.7	-39.6	174.9	-59.8	155.8	0	0	0	111.2	M17 N18 A25	M17-H21 HydrophobicContact CE-CB 4.42Å; N18-H21 PolarHBondContact ND2-CE1 3.28Å; N18-H21 PolarHBondContact ND2-NE2 3.49Å; N18-H21 PolarHBondContact O-N 3.24Å; N18-H21 WeakPolarHBondContact OD1-CB 3.49Å; N18-H21 PolarHBondContact OD1-CD2 3.36Å; N18-H21 VanDerWaalsContact OD1-CD2 3.28Å; N18-H21 PolarHBondContact OD1-N 2.91Å; N18-H21 PolarHBondContact OD1-ND1 3.21Å; H21-A25 VanDerWaalsContact O-CB 3.23Å; H21-A25 WeakPolarHBondContact O-CB 3.11Å; H21-A25 PolarHBondContact O-N 2.81Å
22	V	64.1	Low	63.7	Low	71 Å²	71	82.7 Å²	82.7	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-47.1	176	178.6	0	0	0	0	110.4	M17 N18 E19 E20 A25 F26	M17-V22 HydrophobicContact CB-CG2 4.13Å; M17-V22 HydrophobicContact CE-CB 4.37Å; M17-V22 HydrophobicContact CE-CG2 3.65Å; M17-V22 HydrophobicContact SD-CG2 4.32Å; N18-V22 PolarHBondContact O-N 2.86Å; E19-V22 PolarHBondContact O-N 3.23Å; E20-V22 VanDerWaalsContact C-N 3.34Å; V22-A25 PolarHBondContact O-N 3.26Å; V22-F26 WeakPolarHBondContact O-CB 3.41Å; V22-F26 PolarHBondContact O-N 3.4Å
23	K	65.8	Low	64.4	Low	113 Å²	113	79.8 Å²	79.8	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-45.7	177.4	-75.2	172.2	172.8	170.8	0	112.1	E19 E20 F26 I27	E19-K23 HydrophobicContact CG-CD 4.23Å; E19-K23 WeakPolarHBondContact O-CB 3.21Å; E19-K23 WeakPolarHBondContact O-CG 3.13Å; E19-K23 PolarHBondContact O-N 3.31Å; E19-K23 WeakPolarHBondContact OE1-CE 3.04Å; E19-K23 IonicContact OE1-NZ 3.4Å; E19-K23 PolarHBondContact OE1-NZ 3.16Å; E20-K23 PolarHBondContact O-N 3.21Å; K23-F26 PolarHBondContact O-N 3.43Å; K23-I27 VanDerWaalsContact O-CG1 3.3Å; K23-I27 WeakPolarHBondContact O-CG1 3.17Å; K23-I27 PolarHBondContact O-N 3.32Å
24	A	66.3	Low	65.2	Low	36 Å²	36	80.8 Å²	80.8	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-42.9	177.8	0	0	0	0	0	111.6	E20 Y28	E20-A24 VanDerWaalsContact O-CB 3.26Å; E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 3.18Å; A24-Y28 VanDerWaalsContact O-CB 3.32Å; A24-Y28 WeakPolarHBondContact O-CB 3.5Å; A24-Y28 PolarHBondContact O-N 2.93Å; A24-Y28 VanDerWaalsContact O-N 3.08Å
25	A	65.1	Low	66.1	Low	1 Å²	1	85.1 Å²	85.1	1%	0.008	39%	0.391	C	S	.	.	H	α-helix	trans	-59.2	-52.7	172.5	0	0	0	0	0	110.6	H21 V22 I27 Y28 F29 I68 V71 L77 L79	H21-A25 VanDerWaalsContact O-CB 3.23Å; H21-A25 WeakPolarHBondContact O-CB 3.11Å; H21-A25 PolarHBondContact O-N 2.81Å; V22-A25 PolarHBondContact O-N 3.26Å; A25-I27 PolarHBondContact O-N 3.22Å; A25-Y28 PolarHBondContact O-N 3.44Å; A25-Y28 VanDerWaalsContact O-N 3.1Å; A25-F29 HydrophobicContact CB-CD2 4.15Å; A25-F29 HydrophobicContact CB-CE2 4.13Å; A25-F29 WeakPolarHBondContact O-CB 3.47Å; A25-F29 WeakPolarHBondContact O-CD2 3.49Å; A25-F29 PolarHBondContact O-N 3.35Å; A25-I68 HydrophobicContact CB-CD1 3.87Å; A25-V71 HydrophobicContact CB-CG2 4.47Å; A25-L77 HydrophobicContact CB-CD2 4.2Å; A25-L79 HydrophobicContact CB-CD1 4.13Å
26	F	65.9	Low	66.7	Low	92 Å²	92	85.4 Å²	85.4	40%	0.404	39%	0.388	S	S	.	.	H	α-helix	trans	-53.4	-52.7	-179.3	-168.9	-89.9	0	0	0	112.5	V22 K23 Y28 F29 E30 W83	V22-F26 WeakPolarHBondContact O-CB 3.41Å; V22-F26 PolarHBondContact O-N 3.4Å; K23-F26 PolarHBondContact O-N 3.43Å; F26-Y28 VanDerWaalsContact C-N 3.27Å; F26-Y28 PolarHBondContact O-N 3.01Å; F26-F29 PolarHBondContact O-N 2.94Å; F26-E30 HydrophobicContact CD1-CG 4.06Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.23Å; F26-E30 HydrophobicContact CE1-CG 3.77Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.26Å; F26-E30 HydrophobicContact CZ-CG 4.24Å; F26-E30 PolarHBondContact O-N 3.35Å; F26-W83 AromaticContact CD2-CH2 3.69Å; F26-W83 HydrophobicContact CD2-CH2 3.69Å; F26-W83 AromaticContact CD2-CZ2 3.48Å; F26-W83 HydrophobicContact CD2-CZ2 3.48Å; F26-W83 VanDerWaalsContact CD2-CZ2 3.48Å; F26-W83 AromaticContact CE2-CH2 3.43Å; F26-W83 HydrophobicContact CE2-CH2 3.43Å; F26-W83 VanDerWaalsContact CE2-CH2 3.43Å; F26-W83 AromaticContact CE2-CZ2 3.42Å; F26-W83 HydrophobicContact CE2-CZ2 3.42Å; F26-W83 VanDerWaalsContact CE2-CZ2 3.42Å; F26-W83 HydrophobicContact CZ-CH2 4.27Å
27	I	70.9	Confident	67.3	Low	114 Å²	114	79.4 Å²	79.4	59%	0.585	37%	0.369	S	S	*	.	H	α-helix	trans	-59.4	-41.2	179.4	-66.7	165.4	0	0	0	110.9	K23 A25 K31	K23-I27 VanDerWaalsContact O-CG1 3.3Å; K23-I27 WeakPolarHBondContact O-CG1 3.17Å; K23-I27 PolarHBondContact O-N 3.32Å; A25-I27 PolarHBondContact O-N 3.22Å; I27-K31 WeakPolarHBondContact O-CB 3.37Å; I27-K31 PolarHBondContact O-N 2.64Å; I27-K31 VanDerWaalsContact O-N 3.12Å
28	Y	69.7	Low	68.1	Low	54 Å²	54	80.2 Å²	80.2	21%	0.212	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-44.7	178.5	-171.1	-90.6	0	0	0	111.7	A24 A25 F26 K31 E32 L66 S67 I68 P69	A24-Y28 VanDerWaalsContact O-CB 3.32Å; A24-Y28 WeakPolarHBondContact O-CB 3.5Å; A24-Y28 PolarHBondContact O-N 2.93Å; A24-Y28 VanDerWaalsContact O-N 3.08Å; A25-Y28 PolarHBondContact O-N 3.44Å; A25-Y28 VanDerWaalsContact O-N 3.1Å; F26-Y28 VanDerWaalsContact C-N 3.27Å; F26-Y28 PolarHBondContact O-N 3.01Å; Y28-K31 PolarHBondContact O-N 2.92Å; Y28-E32 HydrophobicContact CD1-CG 3.86Å; Y28-E32 HydrophobicContact CE1-CG 3.52Å; Y28-E32 HydrophobicContact CE2-CG 4.47Å; Y28-E32 HydrophobicContact CG-CG 4.49Å; Y28-E32 WeakPolarHBondContact O-CB 2.84Å; Y28-E32 WeakPolarHBondContact O-CG 3.12Å; Y28-E32 PolarHBondContact O-N 3.11Å; Y28-L66 HydrophobicContact CD1-CD2 4.35Å; Y28-L66 HydrophobicContact CE1-CB 4.14Å; Y28-L66 HydrophobicContact CE1-CD2 3.67Å; Y28-L66 HydrophobicContact CE1-CG 4.49Å; Y28-S67 PolarHBondContact OH-O 3.34Å; Y28-I68 HydrophobicContact CD1-CB 4.23Å; Y28-I68 HydrophobicContact CD1-CD1 4.31Å; Y28-I68 HydrophobicContact CD1-CG1 3.64Å; Y28-I68 HydrophobicContact CD1-CG2 4.24Å; Y28-I68 HydrophobicContact CD2-CG2 4.46Å; Y28-I68 HydrophobicContact CE1-CG1 4.01Å; Y28-I68 HydrophobicContact CG-CB 4.37Å; Y28-I68 HydrophobicContact CG-CG1 4.23Å; Y28-I68 HydrophobicContact CG-CG2 3.93Å; Y28-P69 HydrophobicContact CD2-CG 4.23Å; Y28-P69 VanDerWaalsContact CE2-CD 3.48Å; Y28-P69 HydrophobicContact CE2-CG 4.29Å
29	F	67.2	Low	68.4	Low	48 Å²	48	84.3 Å²	84.3	21%	0.211	39%	0.392	C	S	.	.	H	α-helix	trans	-60.5	-45.6	176.2	-84.9	-74.1	0	0	0	111.9	A25 F26 K31 E32 K33 L66 I68 L77 L79	A25-F29 HydrophobicContact CB-CD2 4.15Å; A25-F29 HydrophobicContact CB-CE2 4.13Å; A25-F29 WeakPolarHBondContact O-CB 3.47Å; A25-F29 WeakPolarHBondContact O-CD2 3.49Å; A25-F29 PolarHBondContact O-N 3.35Å; F26-F29 PolarHBondContact O-N 2.94Å; F29-K31 VanDerWaalsContact C-N 3.31Å; F29-K31 PolarHBondContact O-N 3.09Å; F29-E32 PolarHBondContact O-N 2.85Å; F29-K33 WeakPolarHBondContact O-CB 3.07Å; F29-K33 PolarHBondContact O-N 3.38Å; F29-L66 HydrophobicContact CD1-CD1 3.65Å; F29-L66 HydrophobicContact CE1-CD1 3.18Å; F29-L66 HydrophobicContact CZ-CD1 3.95Å; F29-I68 HydrophobicContact CD2-CD1 3.95Å; F29-I68 HydrophobicContact CE2-CD1 3.25Å; F29-I68 HydrophobicContact CZ-CD1 3.85Å; F29-L77 HydrophobicContact CE2-CD1 4.06Å; F29-L77 HydrophobicContact CZ-CD1 4.17Å; F29-L79 HydrophobicContact CD2-CD1 3.68Å; F29-L79 HydrophobicContact CE2-CD1 3.09Å; F29-L79 HydrophobicContact CE2-CG 4.43Å; F29-L79 HydrophobicContact CZ-CD1 3.73Å
30	E	69.1	Low	68.5	Low	73 Å²	73	80.9 Å²	80.9	34%	0.341	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-42.3	176.2	-75.4	-161.1	97	0	0	111.9	F26 K33 R34	F26-E30 HydrophobicContact CD1-CG 4.06Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.23Å; F26-E30 HydrophobicContact CE1-CG 3.77Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.26Å; F26-E30 HydrophobicContact CZ-CG 4.24Å; F26-E30 PolarHBondContact O-N 3.35Å; E30-K33 PolarHBondContact O-N 2.91Å; E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.38Å
31	K	73.2	Confident	68.8	Low	128 Å²	128	76.5 Å²	76.5	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-65.3	-44.9	178.5	-174	178.2	-178.3	178.7	0	111.9	I27 Y28 F29 K35	I27-K31 WeakPolarHBondContact O-CB 3.37Å; I27-K31 PolarHBondContact O-N 2.64Å; I27-K31 VanDerWaalsContact O-N 3.12Å; Y28-K31 PolarHBondContact O-N 2.92Å; F29-K31 VanDerWaalsContact C-N 3.31Å; F29-K31 PolarHBondContact O-N 3.09Å; K31-K35 WeakPolarHBondContact O-CG 3.39Å; K31-K35 PolarHBondContact O-N 3.29Å; K31-K35 VanDerWaalsContact O-N 3.14Å
32	E	67.2	Low	69.5	Low	25 Å²	25	80.3 Å²	80.3	12%	0.117	38%	0.382	C	S	.	.	H	α-helix	trans	-71.7	-35.5	178.4	-67	-60.7	118.4	0	0	111.6	Y28 F29 K35 F36 L66	Y28-E32 HydrophobicContact CD1-CG 3.86Å; Y28-E32 HydrophobicContact CE1-CG 3.52Å; Y28-E32 HydrophobicContact CE2-CG 4.47Å; Y28-E32 HydrophobicContact CG-CG 4.49Å; Y28-E32 WeakPolarHBondContact O-CB 2.84Å; Y28-E32 WeakPolarHBondContact O-CG 3.12Å; Y28-E32 PolarHBondContact O-N 3.11Å; F29-E32 PolarHBondContact O-N 2.85Å; E32-K35 WeakPolarHBondContact O-CB 3.3Å; E32-K35 PolarHBondContact O-N 2.79Å; E32-K35 WeakPolarHBondContact OE1-CD 3.36Å; E32-K35 WeakPolarHBondContact OE1-CE 3.49Å; E32-K35 IonicContact OE1-NZ 3.1Å; E32-K35 PolarHBondContact OE1-NZ 3.1Å; E32-F36 WeakPolarHBondContact O-CB 3.49Å; E32-F36 PolarHBondContact O-N 3.06Å; E32-L66 HydrophobicContact CB-CD2 3.66Å; E32-L66 HydrophobicContact CG-CD2 3.58Å
33	K	69.8	Low	69.7	Low	54 Å²	54	77.2 Å²	77.2	24%	0.235	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-49.9	171.4	177.1	175.1	170.2	170.1	0	110.8	F29 E30 K35 F36 E37 L98	F29-K33 WeakPolarHBondContact O-CB 3.07Å; F29-K33 PolarHBondContact O-N 3.38Å; E30-K33 PolarHBondContact O-N 2.91Å; K33-K35 VanDerWaalsContact C-N 3.28Å; K33-K35 PolarHBondContact O-N 2.98Å; K33-F36 CarbonylContact O-C 3.58Å; K33-F36 WeakPolarHBondContact O-CA 3.39Å; K33-F36 WeakPolarHBondContact O-CB 3.32Å; K33-F36 PolarHBondContact O-N 3.31Å; K33-E37 WeakPolarHBondContact CE-OE1 3.1Å; K33-E37 HydrophobicContact CG-CG 4.29Å; K33-E37 IonicContact NZ-OE1 2.94Å; K33-E37 PolarHBondContact NZ-OE1 2.83Å; K33-E37 WeakPolarHBondContact O-CG 3.47Å; K33-E37 PolarHBondContact O-N 3.38Å; K33-L98 HydrophobicContact CD-CD1 4.1Å
34	R	71	Confident	69.9	Low	170 Å²	170	77.2 Å²	77.2	64%	0.642	37%	0.365	S	S	*	.	H	α-helix	trans	-60.9	-36.7	177.5	-73.5	-178.4	-170.9	-178	6.1	112.6	E30 A38	E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.38Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.26Å; R34-A38 PolarHBondContact O-N 3.44Å
35	K	70.4	Confident	70.4	Confident	109 Å²	109	79.7 Å²	79.7	47%	0.474	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-40.4	173.4	-73	175.1	-178.6	175.5	0	111.9	K31 E32 K33 R39	K31-K35 WeakPolarHBondContact O-CG 3.39Å; K31-K35 PolarHBondContact O-N 3.29Å; K31-K35 VanDerWaalsContact O-N 3.14Å; E32-K35 WeakPolarHBondContact O-CB 3.3Å; E32-K35 PolarHBondContact O-N 2.79Å; E32-K35 WeakPolarHBondContact OE1-CD 3.36Å; E32-K35 WeakPolarHBondContact OE1-CE 3.49Å; E32-K35 IonicContact OE1-NZ 3.1Å; E32-K35 PolarHBondContact OE1-NZ 3.1Å; K33-K35 VanDerWaalsContact C-N 3.28Å; K33-K35 PolarHBondContact O-N 2.98Å; K35-R39 VanDerWaalsContact O-CB 3.26Å; K35-R39 WeakPolarHBondContact O-CB 3.47Å; K35-R39 PolarHBondContact O-N 2.97Å
36	F	67.4	Low	70.5	Confident	67 Å²	67	85.3 Å²	85.3	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-48.8	176.1	-177.5	-83.3	0	0	0	110.5	E32 K33 A38 R39 Q40 L62 I64	E32-F36 WeakPolarHBondContact O-CB 3.49Å; E32-F36 PolarHBondContact O-N 3.06Å; K33-F36 CarbonylContact O-C 3.58Å; K33-F36 WeakPolarHBondContact O-CA 3.39Å; K33-F36 WeakPolarHBondContact O-CB 3.32Å; K33-F36 PolarHBondContact O-N 3.31Å; F36-A38 PolarHBondContact O-N 3.02Å; F36-R39 PolarHBondContact O-N 2.79Å; F36-Q40 VanDerWaalsContact O-CB 3.3Å; F36-Q40 WeakPolarHBondContact O-CB 3.37Å; F36-Q40 PolarHBondContact O-N 3.22Å; F36-L62 HydrophobicContact CD2-CD2 3.51Å; F36-L62 HydrophobicContact CE2-CB 3.86Å; F36-L62 HydrophobicContact CE2-CD2 3.69Å; F36-L62 HydrophobicContact CE2-CG 4.28Å; F36-L62 HydrophobicContact CG-CD2 4.41Å; F36-I64 HydrophobicContact CB-CD1 4.36Å; F36-I64 HydrophobicContact CD2-CD1 4.05Å
37	E	69.7	Low	70.4	Confident	89 Å²	89	82.8 Å²	82.8	42%	0.416	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.8	-71.5	175.3	142.8	0	0	111.6	K33 R39 Q40 A41	K33-E37 WeakPolarHBondContact CE-OE1 3.1Å; K33-E37 HydrophobicContact CG-CG 4.29Å; K33-E37 IonicContact NZ-OE1 2.94Å; K33-E37 PolarHBondContact NZ-OE1 2.83Å; K33-E37 WeakPolarHBondContact O-CG 3.47Å; K33-E37 PolarHBondContact O-N 3.38Å; E37-R39 PolarHBondContact O-N 3.28Å; E37-Q40 PolarHBondContact O-N 3.38Å; E37-A41 WeakPolarHBondContact O-CB 3.15Å; E37-A41 PolarHBondContact O-N 3.45Å
38	A	76.5	Confident	70	Confident	53 Å²	53	82.6 Å²	82.6	44%	0.438	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-45.3	174.7	0	0	0	0	0	111.5	R34 F36 A41 E42	R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.26Å; R34-A38 PolarHBondContact O-N 3.44Å; F36-A38 PolarHBondContact O-N 3.02Å; A38-A41 PolarHBondContact O-N 2.87Å; A38-E42 WeakPolarHBondContact O-CG 3.4Å; A38-E42 PolarHBondContact O-N 3.21Å
39	R	69.5	Low	69.6	Low	154 Å²	154	87.9 Å²	87.9	58%	0.581	44%	0.444	S	S	*	.	H	α-helix	trans	-71	-33.1	-179.3	-163	161.7	-176.9	-178.2	2.8	112.7	K35 F36 E37 E42 I43 L62	K35-R39 VanDerWaalsContact O-CB 3.26Å; K35-R39 WeakPolarHBondContact O-CB 3.47Å; K35-R39 PolarHBondContact O-N 2.97Å; F36-R39 PolarHBondContact O-N 2.79Å; E37-R39 PolarHBondContact O-N 3.28Å; R39-E42 PolarHBondContact O-N 3.17Å; R39-I43 HydrophobicContact CG-CD1 4.39Å; R39-I43 WeakPolarHBondContact O-CB 3.37Å; R39-I43 WeakPolarHBondContact O-CD1 3.46Å; R39-I43 WeakPolarHBondContact O-CG1 3.32Å; R39-I43 PolarHBondContact O-N 2.94Å; R39-L62 HydrophobicContact CB-CD2 4.49Å; R39-L62 HydrophobicContact CG-CD1 4.35Å; R39-L62 HydrophobicContact CG-CD2 4.43Å
40	Q	67.2	Low	69.2	Low	60 Å²	60	92.9 Å²	92.9	28%	0.28	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-49.2	170.7	179.7	177.7	0.9	0	0	109.9	F36 E37 E42 I43 E44 L59	F36-Q40 VanDerWaalsContact O-CB 3.3Å; F36-Q40 WeakPolarHBondContact O-CB 3.37Å; F36-Q40 PolarHBondContact O-N 3.22Å; E37-Q40 PolarHBondContact O-N 3.38Å; Q40-E42 VanDerWaalsContact C-N 3.29Å; Q40-E42 PolarHBondContact O-N 3.25Å; Q40-I43 PolarHBondContact O-N 3.08Å; Q40-I43 VanDerWaalsContact O-N 3.1Å; Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 WeakPolarHBondContact O-CB 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.37Å; Q40-E44 PolarHBondContact O-N 3.43Å; Q40-L59 HydrophobicContact CG-CD2 4.07Å
41	A	75.4	Confident	69	Low	54 Å²	54	93.7 Å²	93.7	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-36.5	176.6	0	0	0	0	0	112.4	E37 A38 A45	E37-A41 WeakPolarHBondContact O-CB 3.15Å; E37-A41 PolarHBondContact O-N 3.45Å; A38-A41 PolarHBondContact O-N 2.87Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.43Å
42	E	77.6	Confident	68.7	Low	122 Å²	122	91.3 Å²	91.3	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-62.6	-47.3	171.9	-73.4	176.9	107.2	0	0	111.5	A38 R39 Q40 E44 A45 E46	A38-E42 WeakPolarHBondContact O-CG 3.4Å; A38-E42 PolarHBondContact O-N 3.21Å; R39-E42 PolarHBondContact O-N 3.17Å; Q40-E42 VanDerWaalsContact C-N 3.29Å; Q40-E42 PolarHBondContact O-N 3.25Å; E42-E44 PolarHBondContact O-N 3.25Å; E42-A45 PolarHBondContact O-N 2.88Å; E42-E46 WeakPolarHBondContact O-CB 3.15Å; E42-E46 WeakPolarHBondContact O-CG 3.43Å; E42-E46 PolarHBondContact O-N 3.32Å
43	I	69.3	Low	68.7	Low	5 Å²	5	97.7 Å²	97.7	3%	0.026	51%	0.505	C	S	.	.	H	α-helix	trans	-63.6	-41.4	178.2	-70.1	164.9	0	0	0	111.3	R39 Q40 E46 A47 L55 R58 L59 L62	R39-I43 HydrophobicContact CG-CD1 4.39Å; R39-I43 WeakPolarHBondContact O-CB 3.37Å; R39-I43 WeakPolarHBondContact O-CD1 3.46Å; R39-I43 WeakPolarHBondContact O-CG1 3.32Å; R39-I43 PolarHBondContact O-N 2.94Å; Q40-I43 PolarHBondContact O-N 3.08Å; Q40-I43 VanDerWaalsContact O-N 3.1Å; I43-E46 PolarHBondContact O-N 3.12Å; I43-A47 PolarHBondContact O-N 3.41Å; I43-L55 HydrophobicContact CG2-CD2 3.49Å; I43-L55 VanDerWaalsContact CG2-CD2 3.49Å; I43-L55 WeakPolarHBondContact O-CD2 3.37Å; I43-R58 HydrophobicContact CD1-CB 4.27Å; I43-R58 HydrophobicContact CG2-CB 4.35Å; I43-L59 HydrophobicContact CD1-CD2 4.43Å; I43-L62 HydrophobicContact CD1-CD1 3.26Å
44	E	70.2	Confident	68.4	Low	113 Å²	113	97.1 Å²	97.1	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-69.7	-30.7	176.7	-71.3	178.9	133.9	0	0	112.3	Q40 E42 A47	Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 WeakPolarHBondContact O-CB 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.37Å; Q40-E44 PolarHBondContact O-N 3.43Å; E42-E44 PolarHBondContact O-N 3.25Å; E44-A47 VanDerWaalsContact O-CB 3.24Å; E44-A47 WeakPolarHBondContact O-CB 3.39Å; E44-A47 PolarHBondContact O-N 2.87Å
45	A	75.5	Confident	68.1	Low	88 Å²	88	90.6 Å²	90.6	73%	0.727	49%	0.489	S	S	*	.	H	α-helix	trans	-75.2	-32.1	173.4	0	0	0	0	0	112.7	A41 E42 A47	A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.43Å; E42-A45 PolarHBondContact O-N 2.88Å; A45-A47 VanDerWaalsContact C-N 3.26Å
46	E	68.3	Low	67.9	Low	119 Å²	119	90 Å²	90	56%	0.556	49%	0.487	S	S	*	.	H	α-helix	trans	-77.1	-13.1	173.2	-71	-176.4	111.5	0	0	112.9	E42 I43 T48 R58	E42-E46 WeakPolarHBondContact O-CB 3.15Å; E42-E46 WeakPolarHBondContact O-CG 3.43Å; E42-E46 PolarHBondContact O-N 3.32Å; I43-E46 PolarHBondContact O-N 3.12Å; E46-T48 PolarHBondContact O-N 3.34Å; E46-R58 IonicContact OE2-CZ 3.42Å; E46-R58 IonicContact OE2-NH1 2.68Å; E46-R58 PolarHBondContact OE2-NH1 2.82Å; E46-R58 VanDerWaalsContact OE2-NH1 3.1Å; E46-R58 IonicContact OE2-NH2 3.95Å; E46-R58 PolarHBondContact OE2-NH2 2.74Å
47	A	63.3	Low	67.7	Low	39 Å²	39	89.7 Å²	89.7	32%	0.322	50%	0.497	S	S	.	.			trans	-65.4	93.8	177.1	0	0	0	0	0	110.9	I43 E44 A45 L55	I43-A47 PolarHBondContact O-N 3.41Å; E44-A47 VanDerWaalsContact O-CB 3.24Å; E44-A47 WeakPolarHBondContact O-CB 3.39Å; E44-A47 PolarHBondContact O-N 2.87Å; A45-A47 VanDerWaalsContact C-N 3.26Å; A47-L55 HydrophobicContact CB-CD1 3.31Å; A47-L55 HydrophobicContact CB-CD2 3.62Å; A47-L55 HydrophobicContact CB-CG 4.08Å
48	T	62.2	Low	67.2	Low	111 Å²	111	90.4 Å²	90.4	68%	0.681	50%	0.496	S	S	*	.			trans	-71.1	135.9	154.8	50.2	0	0	0	0	108	E46 D50	E46-T48 PolarHBondContact O-N 3.34Å; T48-D50 PolarHBondContact O-N 3.42Å
49	D	61.1	Low	66.4	Low	164 Å²	164	90.5 Å²	90.5	88%	0.877	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-13.6	-171.3	-146	-111.3	0	0	0	116.1
50	D	58.4	Low	65.7	Low	153 Å²	153	89.1 Å²	89.1	82%	0.818	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.1	-169.7	-114.4	-95.9	0	0	0	116.4	T48	T48-D50 PolarHBondContact O-N 3.42Å
51	D	66	Low	65.1	Low	90 Å²	90	90.9 Å²	90.9	48%	0.481	51%	0.508	S	S	.	.			trans	-145.1	59.4	-174.4	-133.2	-46.3	0	0	0	115.9	Q53 A54 L55	D51-Q53 PolarHBondContact O-N 3.15Å; D51-A54 HydrophobicContact CB-CB 3.98Å; D51-A54 PolarHBondContact O-N 3.44Å; D51-A54 VanDerWaalsContact OD1-CB 3.27Å; D51-A54 WeakPolarHBondContact OD1-CB 3.48Å; D51-A54 PolarHBondContact OD1-N 3.34Å; D51-L55 WeakPolarHBondContact O-CG 3.41Å; D51-L55 PolarHBondContact O-N 3.4Å; D51-L55 VanDerWaalsContact O-N 3.11Å
52	V	66.9	Low	64	Low	79 Å²	79	89 Å²	89	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-53.6	-37.2	174.9	178.8	0	0	0	0	112.2	L55 E56	V52-L55 PolarHBondContact O-N 2.82Å; V52-E56 HydrophobicContact CG1-CG 4.46Å; V52-E56 WeakPolarHBondContact O-CG 2.86Å; V52-E56 PolarHBondContact O-N 3.34Å
53	Q	66.2	Low	62.8	Low	158 Å²	158	90.4 Å²	90.4	74%	0.738	50%	0.495	S	S	*	.	H	α-helix	trans	-69	-40.3	179.3	-72	-171.5	-23.5	0	0	112.6	D51 L55 E56 A57	D51-Q53 PolarHBondContact O-N 3.15Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 3.46Å; Q53-E56 PolarHBondContact O-N 2.96Å; Q53-A57 WeakPolarHBondContact O-CB 3.47Å; Q53-A57 PolarHBondContact O-N 2.68Å
54	A	65.5	Low	61.6	Low	42 Å²	42	93.6 Å²	93.6	35%	0.347	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-37	173.9	0	0	0	0	0	111.8	D51 A57 R58	D51-A54 HydrophobicContact CB-CB 3.98Å; D51-A54 PolarHBondContact O-N 3.44Å; D51-A54 VanDerWaalsContact OD1-CB 3.27Å; D51-A54 WeakPolarHBondContact OD1-CB 3.48Å; D51-A54 PolarHBondContact OD1-N 3.34Å; A54-A57 PolarHBondContact O-N 3.2Å; A54-R58 WeakPolarHBondContact O-CB 3.48Å; A54-R58 VanDerWaalsContact O-CG 3.3Å; A54-R58 WeakPolarHBondContact O-CG 3.39Å; A54-R58 PolarHBondContact O-N 2.94Å
55	L	64	Low	60.5	Low	34 Å²	34	94.3 Å²	94.3	18%	0.178	52%	0.523	C	S	.	.	H	α-helix	trans	-65.1	-45.6	174.8	-68	163.9	0	0	0	111.7	I43 A47 D51 V52 Q53 A57 R58 L59	I43-L55 HydrophobicContact CG2-CD2 3.49Å; I43-L55 VanDerWaalsContact CG2-CD2 3.49Å; I43-L55 WeakPolarHBondContact O-CD2 3.37Å; A47-L55 HydrophobicContact CB-CD1 3.31Å; A47-L55 HydrophobicContact CB-CD2 3.62Å; A47-L55 HydrophobicContact CB-CG 4.08Å; D51-L55 WeakPolarHBondContact O-CG 3.41Å; D51-L55 PolarHBondContact O-N 3.4Å; D51-L55 VanDerWaalsContact O-N 3.11Å; V52-L55 PolarHBondContact O-N 2.82Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 3.46Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 2.68Å; L55-R58 PolarHBondContact O-N 3.41Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.49Å
56	E	65.3	Low	59.3	Low	96 Å²	96	92.9 Å²	92.9	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-40.4	176.3	-72.8	-175.9	126.8	0	0	111.8	V52 Q53 L59 E60 R93	V52-E56 HydrophobicContact CG1-CG 4.46Å; V52-E56 WeakPolarHBondContact O-CG 2.86Å; V52-E56 PolarHBondContact O-N 3.34Å; Q53-E56 PolarHBondContact O-N 2.96Å; E56-L59 PolarHBondContact O-N 3.27Å; E56-E60 WeakPolarHBondContact O-CB 3.41Å; E56-E60 PolarHBondContact O-N 3.37Å; E56-R93 IonicContact OE1-NH2 2.74Å
57	A	64.1	Low	58.5	Low	61 Å²	61	91.6 Å²	91.6	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-39.9	174.8	0	0	0	0	0	112.6	Q53 A54 L55 E60 S61	Q53-A57 WeakPolarHBondContact O-CB 3.47Å; Q53-A57 PolarHBondContact O-N 2.68Å; A54-A57 PolarHBondContact O-N 3.2Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 2.68Å; A57-E60 PolarHBondContact O-N 3.14Å; A57-S61 WeakPolarHBondContact O-CB 3.26Å; A57-S61 PolarHBondContact O-N 2.95Å
58	R	58.7	Low	58.3	Low	103 Å²	103	90.4 Å²	90.4	39%	0.389	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-42.7	175.3	-74.2	178.7	75.9	-174.8	1.3	111.3	I43 E46 A54 L55 S61 L62	I43-R58 HydrophobicContact CD1-CB 4.27Å; I43-R58 HydrophobicContact CG2-CB 4.35Å; E46-R58 IonicContact OE2-CZ 3.42Å; E46-R58 IonicContact OE2-NH1 2.68Å; E46-R58 PolarHBondContact OE2-NH1 2.82Å; E46-R58 VanDerWaalsContact OE2-NH1 3.1Å; E46-R58 IonicContact OE2-NH2 3.95Å; E46-R58 PolarHBondContact OE2-NH2 2.74Å; A54-R58 WeakPolarHBondContact O-CB 3.48Å; A54-R58 VanDerWaalsContact O-CG 3.3Å; A54-R58 WeakPolarHBondContact O-CG 3.39Å; A54-R58 PolarHBondContact O-N 2.94Å; L55-R58 PolarHBondContact O-N 3.41Å; R58-S61 PolarHBondContact O-N 3.18Å; R58-S61 PolarHBondContact O-OG 2.88Å; R58-L62 PolarHBondContact O-N 3.06Å
59	L	60.5	Low	58.1	Low	56 Å²	56	89.6 Å²	89.6	29%	0.293	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-36.6	175.4	-70.1	172.6	0	0	0	112.1	Q40 I43 L55 E56 S61 L62	Q40-L59 HydrophobicContact CG-CD2 4.07Å; I43-L59 HydrophobicContact CD1-CD2 4.43Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.49Å; E56-L59 PolarHBondContact O-N 3.27Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-L62 HydrophobicContact CD2-CD1 4.27Å; L59-L62 WeakPolarHBondContact O-CB 3.3Å; L59-L62 PolarHBondContact O-N 3.24Å
60	E	54.2	Low	57.8	Low	125 Å²	125	84.8 Å²	84.8	58%	0.584	48%	0.481	S	S	*	.	H	α-helix	trans	-68.7	-34.9	175.2	-177.1	163	79.9	0	0	112.1	E56 A57 L62 K63	E56-E60 WeakPolarHBondContact O-CB 3.41Å; E56-E60 PolarHBondContact O-N 3.37Å; A57-E60 PolarHBondContact O-N 3.14Å; E60-L62 PolarHBondContact O-N 2.94Å; E60-K63 HydrophobicContact CG-CD 4.48Å; E60-K63 WeakPolarHBondContact O-CD 3.5Å; E60-K63 VanDerWaalsContact O-CG 3.32Å; E60-K63 WeakPolarHBondContact O-CG 3.2Å; E60-K63 PolarHBondContact O-N 2.8Å; E60-K63 IonicContact OE2-NZ 2.64Å; E60-K63 PolarHBondContact OE2-NZ 3.49Å
61	S	53.8	Low	57.7	Low	97 Å²	97	78.5 Å²	78.5	68%	0.678	45%	0.448	S	S	*	.	H	α-helix	trans	-67.1	-15.6	174.2	80.1	0	0	0	0	113.4	A57 R58 L59 K63	A57-S61 WeakPolarHBondContact O-CB 3.26Å; A57-S61 PolarHBondContact O-N 2.95Å; R58-S61 PolarHBondContact O-N 3.18Å; R58-S61 PolarHBondContact O-OG 2.88Å; L59-S61 VanDerWaalsContact C-N 3.35Å; S61-K63 PolarHBondContact O-N 3.39Å
62	L	53.5	Low	57.3	Low	14 Å²	14	76.2 Å²	76.2	7%	0.073	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12	179.2	-111.6	153	0	0	0	112.8	F36 R39 I43 R58 L59 E60 I64	F36-L62 HydrophobicContact CD2-CD2 3.51Å; F36-L62 HydrophobicContact CE2-CB 3.86Å; F36-L62 HydrophobicContact CE2-CD2 3.69Å; F36-L62 HydrophobicContact CE2-CG 4.28Å; F36-L62 HydrophobicContact CG-CD2 4.41Å; R39-L62 HydrophobicContact CB-CD2 4.49Å; R39-L62 HydrophobicContact CG-CD1 4.35Å; R39-L62 HydrophobicContact CG-CD2 4.43Å; I43-L62 HydrophobicContact CD1-CD1 3.26Å; R58-L62 PolarHBondContact O-N 3.06Å; L59-L62 HydrophobicContact CD2-CD1 4.27Å; L59-L62 WeakPolarHBondContact O-CB 3.3Å; L59-L62 PolarHBondContact O-N 3.24Å; E60-L62 PolarHBondContact O-N 2.94Å; L62-I64 WeakPolarHBondContact O-CG1 3.37Å; L62-I64 PolarHBondContact O-N 3.23Å
63	K	51.5	Low	56.5	Low	152 Å²	152	77.8 Å²	77.8	66%	0.661	46%	0.46	S	S	*	.			trans	-59.2	95.5	166.9	-76.7	168.1	-173.9	162.9	0	109.7	E60 S61 T65	E60-K63 HydrophobicContact CG-CD 4.48Å; E60-K63 WeakPolarHBondContact O-CD 3.5Å; E60-K63 VanDerWaalsContact O-CG 3.32Å; E60-K63 WeakPolarHBondContact O-CG 3.2Å; E60-K63 PolarHBondContact O-N 2.8Å; E60-K63 IonicContact OE2-NZ 2.64Å; E60-K63 PolarHBondContact OE2-NZ 3.49Å; S61-K63 PolarHBondContact O-N 3.39Å; K63-T65 PolarHBondContact O-N 2.94Å
64	I	45.1	Very low	55.6	Low	71 Å²	71	75.2 Å²	75.2	36%	0.364	45%	0.451	S	S	.	.			trans	-78.9	119.2	177.6	-56	171.5	0	0	0	108.5	F36 L62 L66	F36-I64 HydrophobicContact CB-CD1 4.36Å; F36-I64 HydrophobicContact CD2-CD1 4.05Å; L62-I64 WeakPolarHBondContact O-CG1 3.37Å; L62-I64 PolarHBondContact O-N 3.23Å; I64-L66 HydrophobicContact CB-CD2 4.27Å; I64-L66 HydrophobicContact CB-CG 4.43Å; I64-L66 HydrophobicContact CG2-CD2 3.42Å; I64-L66 VanDerWaalsContact CG2-CD2 3.42Å; I64-L66 HydrophobicContact CG2-CG 3.85Å; I64-L66 PolarHBondContact O-N 3.23Å
65	T	46	Very low	54.9	Low	129 Å²	129	73.8 Å²	73.8	79%	0.791	44%	0.438	S	S	*	.			trans	-79.6	110.5	159.8	-57.7	0	0	0	0	107	K63	K63-T65 PolarHBondContact O-N 2.94Å
66	L	50.2	Low	53.9	Low	58 Å²	58	76.4 Å²	76.4	30%	0.304	45%	0.449	S	S	.	.			trans	-87.6	112.9	-176.2	-65.5	166.1	0	0	0	109.7	Y28 F29 E32 I64	Y28-L66 HydrophobicContact CD1-CD2 4.35Å; Y28-L66 HydrophobicContact CE1-CB 4.14Å; Y28-L66 HydrophobicContact CE1-CD2 3.67Å; Y28-L66 HydrophobicContact CE1-CG 4.49Å; F29-L66 HydrophobicContact CD1-CD1 3.65Å; F29-L66 HydrophobicContact CE1-CD1 3.18Å; F29-L66 HydrophobicContact CZ-CD1 3.95Å; E32-L66 HydrophobicContact CB-CD2 3.66Å; E32-L66 HydrophobicContact CG-CD2 3.58Å; I64-L66 HydrophobicContact CB-CD2 4.27Å; I64-L66 HydrophobicContact CB-CG 4.43Å; I64-L66 HydrophobicContact CG2-CD2 3.42Å; I64-L66 VanDerWaalsContact CG2-CD2 3.42Å; I64-L66 HydrophobicContact CG2-CG 3.85Å; I64-L66 PolarHBondContact O-N 3.23Å
67	S	51.4	Low	53	Low	92 Å²	92	73.8 Å²	73.8	64%	0.643	44%	0.438	S	S	*	.			trans	-99.5	98.8	167.8	-67.5	0	0	0	0	108.5	Y28 P69	Y28-S67 PolarHBondContact OH-O 3.34Å; S67-P69 WeakPolarHBondContact O-CD 3.45Å
68	I	59.6	Low	52	Low	13 Å²	13	71.6 Å²	71.6	7%	0.067	42%	0.419	C	S	.	.			trans	-82.8	115	-176	-49.1	-176.2	0	0	0	109.1	A25 Y28 F29 G70 V71 L77	A25-I68 HydrophobicContact CB-CD1 3.87Å; Y28-I68 HydrophobicContact CD1-CB 4.23Å; Y28-I68 HydrophobicContact CD1-CD1 4.31Å; Y28-I68 HydrophobicContact CD1-CG1 3.64Å; Y28-I68 HydrophobicContact CD1-CG2 4.24Å; Y28-I68 HydrophobicContact CD2-CG2 4.46Å; Y28-I68 HydrophobicContact CE1-CG1 4.01Å; Y28-I68 HydrophobicContact CG-CB 4.37Å; Y28-I68 HydrophobicContact CG-CG1 4.23Å; Y28-I68 HydrophobicContact CG-CG2 3.93Å; F29-I68 HydrophobicContact CD2-CD1 3.95Å; F29-I68 HydrophobicContact CE2-CD1 3.25Å; F29-I68 HydrophobicContact CZ-CD1 3.85Å; I68-G70 PolarHBondContact O-N 3.11Å; I68-V71 HydrophobicContact CB-CB 3.93Å; I68-V71 HydrophobicContact CB-CG2 3.84Å; I68-V71 HydrophobicContact CG2-CB 4.18Å; I68-V71 HydrophobicContact CG2-CG2 3.53Å; I68-V71 PolarHBondContact O-N 3.42Å; I68-V71 VanDerWaalsContact O-N 3.09Å; I68-L77 HydrophobicContact CD1-CD1 3.56Å
69	P	57.4	Low	51.5	Low	94 Å²	94	68.4 Å²	68.4	61%	0.61	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	131.6	177.5	25.4	-31.8	0	0	0	110.4	Y28 S67 V71	Y28-P69 HydrophobicContact CD2-CG 4.23Å; Y28-P69 VanDerWaalsContact CE2-CD 3.48Å; Y28-P69 HydrophobicContact CE2-CG 4.29Å; S67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-V71 VanDerWaalsContact C-N 3.31Å
70	G	56.3	Low	50.6	Low	63 Å²	63	69.3 Å²	69.3	65%	0.649	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-4.1	-176.7	0	0	0	0	0	114.7	I68	I68-G70 PolarHBondContact O-N 3.11Å
71	V	56	Low	49.8	Very low	21 Å²	21	69.4 Å²	69.4	13%	0.127	42%	0.42	C	S	.	.	S	Bend	trans	-105	126	169.6	-178.5	0	0	0	0	108.5	A25 I68 P69 L75 L77	A25-V71 HydrophobicContact CB-CG2 4.47Å; I68-V71 HydrophobicContact CB-CB 3.93Å; I68-V71 HydrophobicContact CB-CG2 3.84Å; I68-V71 HydrophobicContact CG2-CB 4.18Å; I68-V71 HydrophobicContact CG2-CG2 3.53Å; I68-V71 PolarHBondContact O-N 3.42Å; I68-V71 VanDerWaalsContact O-N 3.09Å; P69-V71 VanDerWaalsContact C-N 3.31Å; V71-L75 HydrophobicContact CG1-CB 3.82Å; V71-L75 HydrophobicContact CG1-CD1 4.29Å; V71-L75 HydrophobicContact CG1-CD2 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.18Å; V71-L77 HydrophobicContact CG1-CD2 4.24Å; V71-L77 HydrophobicContact CG1-CG 4.49Å
72	P	56.6	Low	49	Very low	43 Å²	43	70.9 Å²	70.9	28%	0.279	41%	0.411	S	S	.	.			trans	-57.6	140.8	174.8	-16.9	26.5	0	0	0	111.2	D74 L75	P72-D74 WeakPolarHBondContact CB-OD1 3.28Å; P72-D74 PolarHBondContact O-N 2.76Å; P72-L75 HydrophobicContact CB-CB 4.17Å; P72-L75 HydrophobicContact CG-CB 4.31Å; P72-L75 HydrophobicContact CG-CD1 4.18Å; P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 3.48Å
73	A	51.7	Low	48.6	Very low	112 Å²	112	74.4 Å²	74.4	93%	0.926	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.8	179.5	0	0	0	0	0	113	L75	A73-L75 VanDerWaalsContact C-N 3.3Å
74	D	47.4	Very low	48	Very low	103 Å²	103	71 Å²	71	55%	0.551	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.7	173.6	54.6	-71.4	0	0	0	113.4	P72 E76	P72-D74 WeakPolarHBondContact CB-OD1 3.28Å; P72-D74 PolarHBondContact O-N 2.76Å; D74-E76 PolarHBondContact O-N 2.98Å
75	L	49.1	Very low	47.6	Very low	13 Å²	13	75.7 Å²	75.7	7%	0.068	43%	0.432	C	S	.	.			trans	-78.9	107.4	177	-161.1	139.8	0	0	0	109.4	V15 M17 V71 P72 A73 L77	V15-L75 HydrophobicContact CB-CD1 4.25Å; V15-L75 HydrophobicContact CG1-CD1 4.36Å; M17-L75 HydrophobicContact CE-CD2 4Å; M17-L75 HydrophobicContact CG-CD1 3.95Å; M17-L75 HydrophobicContact CG-CD2 3.58Å; M17-L75 HydrophobicContact CG-CG 4.16Å; M17-L75 HydrophobicContact SD-CD2 3.82Å; V71-L75 HydrophobicContact CG1-CB 3.82Å; V71-L75 HydrophobicContact CG1-CD1 4.29Å; V71-L75 HydrophobicContact CG1-CD2 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.18Å; P72-L75 HydrophobicContact CB-CB 4.17Å; P72-L75 HydrophobicContact CG-CB 4.31Å; P72-L75 HydrophobicContact CG-CD1 4.18Å; P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 3.48Å; A73-L75 VanDerWaalsContact C-N 3.3Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 HydrophobicContact CD2-CD2 3.45Å; L75-L77 VanDerWaalsContact CD2-CD2 3.45Å; L75-L77 HydrophobicContact CD2-CG 3.82Å; L75-L77 PolarHBondContact O-N 2.92Å
76	E	44.2	Very low	47.2	Very low	88 Å²	88	76.6 Å²	76.6	41%	0.411	43%	0.426	S	S	.	.			trans	-67.6	94	167.3	-77.4	-172.6	119.4	0	0	109.3	N11 D74 A78	N11-E76 PolarHBondContact ND2-OE1 2.98Å; N11-E76 PolarHBondContact ND2-OE2 3.2Å; D74-E76 PolarHBondContact O-N 2.98Å; E76-A78 PolarHBondContact O-N 3.49Å
77	L	47	Very low	46.6	Very low	42 Å²	42	77.2 Å²	77.2	22%	0.22	44%	0.435	C	S	.	.			trans	-63.7	107.1	164.7	-65.2	165.6	0	0	0	106.9	M17 A25 F29 I68 V71 L75 L79 P80	M17-L77 HydrophobicContact CE-CD2 3.38Å; M17-L77 HydrophobicContact SD-CD2 4.06Å; A25-L77 HydrophobicContact CB-CD2 4.2Å; F29-L77 HydrophobicContact CE2-CD1 4.06Å; F29-L77 HydrophobicContact CZ-CD1 4.17Å; I68-L77 HydrophobicContact CD1-CD1 3.56Å; V71-L77 HydrophobicContact CG1-CD2 4.24Å; V71-L77 HydrophobicContact CG1-CG 4.49Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 HydrophobicContact CD2-CD2 3.45Å; L75-L77 VanDerWaalsContact CD2-CD2 3.45Å; L75-L77 HydrophobicContact CD2-CG 3.82Å; L75-L77 PolarHBondContact O-N 2.92Å; L77-L79 HydrophobicContact CB-CB 4.1Å; L77-L79 HydrophobicContact CB-CD1 3.83Å; L77-L79 HydrophobicContact CB-CG 3.96Å; L77-L79 HydrophobicContact CD1-CD1 4.05Å; L77-L79 HydrophobicContact CD2-CD1 3.71Å; L77-L79 HydrophobicContact CD2-CG 4.38Å; L77-L79 HydrophobicContact CG-CD1 4.06Å; L77-L79 PolarHBondContact O-N 3.47Å; L77-P80 WeakPolarHBondContact O-CD 3.33Å
78	A	42.2	Very low	45.6	Very low	14 Å²	14	81.9 Å²	81.9	12%	0.116	45%	0.446	C	S	.	.			trans	-70.9	26.2	166.2	0	0	0	0	0	112.5	Y4 E76 P80 E81	Y4-A78 HydrophobicContact CD2-CB 3.5Å; Y4-A78 HydrophobicContact CE2-CB 4.33Å; Y4-A78 HydrophobicContact CG-CB 4.33Å; E76-A78 PolarHBondContact O-N 3.49Å; A78-P80 VanDerWaalsContact C-N 3.34Å; A78-E81 PolarHBondContact O-N 2.89Å
79	L	47.7	Very low	44.4	Very low	36 Å²	36	83.8 Å²	83.8	19%	0.188	46%	0.458	C	S	.	.	H	α-helix	trans	-65.8	-24.2	175.5	-71.5	172.8	0	0	0	113.8	A25 F29 L77 E81 W83	A25-L79 HydrophobicContact CB-CD1 4.13Å; F29-L79 HydrophobicContact CD2-CD1 3.68Å; F29-L79 HydrophobicContact CE2-CD1 3.09Å; F29-L79 HydrophobicContact CE2-CG 4.43Å; F29-L79 HydrophobicContact CZ-CD1 3.73Å; L77-L79 HydrophobicContact CB-CB 4.1Å; L77-L79 HydrophobicContact CB-CD1 3.83Å; L77-L79 HydrophobicContact CB-CG 3.96Å; L77-L79 HydrophobicContact CD1-CD1 4.05Å; L77-L79 HydrophobicContact CD2-CD1 3.71Å; L77-L79 HydrophobicContact CD2-CG 4.38Å; L77-L79 HydrophobicContact CG-CD1 4.06Å; L77-L79 PolarHBondContact O-N 3.47Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.81Å; L79-W83 WeakPolarHBondContact O-CB 3.27Å; L79-W83 PolarHBondContact O-N 3.32Å
80	P	42.3	Very low	43.2	Very low	75 Å²	75	92 Å²	92	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-38.9	171.8	-20.8	31	0	0	0	112.4	L77 A78 L84	L77-P80 WeakPolarHBondContact O-CD 3.33Å; A78-P80 VanDerWaalsContact C-N 3.34Å; P80-L84 HydrophobicContact CB-CD1 4.1Å; P80-L84 WeakPolarHBondContact O-CB 3.32Å; P80-L84 WeakPolarHBondContact O-CD1 3.48Å; P80-L84 WeakPolarHBondContact O-CG 3.48Å; P80-L84 PolarHBondContact O-N 3.3Å
81	E	36.1	Very low	42.5	Very low	128 Å²	128	92.4 Å²	92.4	60%	0.598	48%	0.481	S	S	*	.	H	α-helix	trans	-86.5	-17.8	-172	-68.7	-175.2	88	0	0	113.7	A3 A78 L79	A3-E81 HydrophobicContact CB-CB 4.07Å; A3-E81 VanDerWaalsContact CB-CD 3.46Å; A3-E81 HydrophobicContact CB-CG 4.4Å; A3-E81 VanDerWaalsContact CB-OE1 3.26Å; A3-E81 WeakPolarHBondContact CB-OE1 3.35Å; A78-E81 PolarHBondContact O-N 2.89Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.81Å
82	Y	38.3	Very low	41.5	Very low	128 Å²	128	94.7 Å²	94.7	50%	0.502	51%	0.51	S	S	.	.	H	α-helix	trans	-90.9	-16	176.9	-101.3	-89.8	0	0	0	114	M1	M1-Y82 WeakPolarHBondContact CA-OH 3.36Å; M1-Y82 WeakPolarHBondContact CG-OH 3.15Å; M1-Y82 PolarHBondContact N-OH 2.94Å
83	W	44.1	Very low	40.3	Very low	87 Å²	87	100.4 Å²	100.4	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-119.2	-3.5	-172.5	-71.4	52	0	0	0	113.5	F26 L79 L98	F26-W83 AromaticContact CD2-CH2 3.69Å; F26-W83 HydrophobicContact CD2-CH2 3.69Å; F26-W83 AromaticContact CD2-CZ2 3.48Å; F26-W83 HydrophobicContact CD2-CZ2 3.48Å; F26-W83 VanDerWaalsContact CD2-CZ2 3.48Å; F26-W83 AromaticContact CE2-CH2 3.43Å; F26-W83 HydrophobicContact CE2-CH2 3.43Å; F26-W83 VanDerWaalsContact CE2-CH2 3.43Å; F26-W83 AromaticContact CE2-CZ2 3.42Å; F26-W83 HydrophobicContact CE2-CZ2 3.42Å; F26-W83 VanDerWaalsContact CE2-CZ2 3.42Å; F26-W83 HydrophobicContact CZ-CH2 4.27Å; L79-W83 WeakPolarHBondContact O-CB 3.27Å; L79-W83 PolarHBondContact O-N 3.32Å; W83-L98 HydrophobicContact CE3-CD2 4.16Å; W83-L98 HydrophobicContact CZ3-CD2 3.89Å
84	L	39	Very low	39.3	Very low	82 Å²	82	102.4 Å²	102.4	43%	0.429	51%	0.514	S	S	.	.			trans	-112.4	75.5	-177.4	-64.1	171.9	0	0	0	111.1	P80 K86	P80-L84 HydrophobicContact CB-CD1 4.1Å; P80-L84 WeakPolarHBondContact O-CB 3.32Å; P80-L84 WeakPolarHBondContact O-CD1 3.48Å; P80-L84 WeakPolarHBondContact O-CG 3.48Å; P80-L84 PolarHBondContact O-N 3.3Å; L84-K86 HydrophobicContact CB-CG 4.27Å; L84-K86 PolarHBondContact O-N 3.35Å
85	E	36.5	Very low	38.5	Very low	168 Å²	168	101.8 Å²	101.8	79%	0.785	51%	0.507	S	S	*	.			trans	-70.4	94.2	149.8	-120	-171.1	102	0	0	107.2	S87	E85-S87 PolarHBondContact O-N 2.92Å
86	K	37.5	Very low	37.7	Very low	149 Å²	149	105.1 Å²	105.1	65%	0.648	53%	0.528	S	S	*	.			trans	-71.1	95.5	176.3	-68.5	179.2	-179.1	174.9	0	108.7	L84	L84-K86 HydrophobicContact CB-CG 4.27Å; L84-K86 PolarHBondContact O-N 3.35Å
87	S	38.3	Very low	37.2	Very low	71 Å²	71	108.7 Å²	108.7	50%	0.497	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.5	159.2	-88.9	0	0	0	0	109.2	E85 T89	E85-S87 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact O-N 3.1Å
88	Q	30.8	Very low	36.6	Very low	190 Å²	190	111.6 Å²	111.6	89%	0.888	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.2	107.3	178	-173.3	178.3	19.7	0	0	109.4
89	T	33.9	Very low	36.2	Very low	52 Å²	52	115.8 Å²	115.8	32%	0.319	58%	0.578	S	S	.	*			trans	-88	144.2	166.6	44	0	0	0	0	111	S87 G91 R93 E95	S87-T89 PolarHBondContact O-N 3.1Å; T89-G91 PolarHBondContact O-N 2.74Å; T89-R93 PolarHBondContact OG1-O 3.06Å; T89-E95 VanDerWaalsContact CG2-OE2 3.26Å; T89-E95 WeakPolarHBondContact CG2-OE2 3.36Å
90	R	31.7	Very low	35.7	Very low	267 Å²	267	122 Å²	122	100%	1.008	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	112.7	178.5	-95.3	-178	168.7	-178.2	-2.8	109.1
91	G	42.6	Very low	35.3	Very low	71 Å²	71	122.5 Å²	122.5	73%	0.732	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.8	2.7	177.5	0	0	0	0	0	116.2	T89 R93	T89-G91 PolarHBondContact O-N 2.74Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 2.73Å
92	G	34.1	Very low	35.4	Very low	70 Å²	70	125.9 Å²	125.9	72%	0.722	63%	0.626	S	S	*	*	S	Bend	trans	76.2	15.1	176.9	0	0	0	0	0	114.6
93	R	32.8	Very low	35.5	Very low	162 Å²	162	123.6 Å²	123.6	61%	0.611	63%	0.629	S	S	*	*			trans	-96.4	145.9	174.3	-64.3	-178.8	-179.8	179.6	-1.6	110.1	E56 T89 G91	E56-R93 IonicContact OE1-NH2 2.74Å; T89-R93 PolarHBondContact OG1-O 3.06Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 2.73Å
94	F	30.3	Very low	35.5	Very low	154 Å²	154	124 Å²	124	68%	0.675	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.5	118.2	176.6	-62.5	-86.2	0	0	0	108.8
95	E	30.3	Very low	35.5	Very low	90 Å²	90	127.3 Å²	127.3	42%	0.421	67%	0.669	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	128.6	163.7	-82.2	170	86.6	0	0	108.8	T89 Y97	T89-E95 VanDerWaalsContact CG2-OE2 3.26Å; T89-E95 WeakPolarHBondContact CG2-OE2 3.36Å; E95-Y97 HydrophobicContact CB-CD2 4.23Å; E95-Y97 HydrophobicContact CB-CE2 3.86Å; E95-Y97 PolarHBondContact OE1-OH 3.4Å
96	V	32.2	Very low	35.6	Very low	84 Å²	84	128.1 Å²	128.1	51%	0.509	67%	0.673	S	S	.	*			trans	-107.5	101.5	176	-178.5	0	0	0	0	107.6
97	Y	33.4	Very low	35.8	Very low	163 Å²	163	126.1 Å²	126.1	64%	0.639	68%	0.678	S	S	*	*			trans	-84.1	127.1	172.7	-76.5	-88.9	0	0	0	109.8	E95 T99	E95-Y97 HydrophobicContact CB-CD2 4.23Å; E95-Y97 HydrophobicContact CB-CE2 3.86Å; E95-Y97 PolarHBondContact OE1-OH 3.4Å; Y97-T99 PolarHBondContact O-N 3.47Å
98	L	33.5	Very low	36.1	Very low	102 Å²	102	134.1 Å²	134.1	53%	0.534	70%	0.699	S	S	.	*			trans	-83.5	101.5	160.9	-67.8	170.9	0	0	0	106.4	K33 W83	K33-L98 HydrophobicContact CD-CD1 4.1Å; W83-L98 HydrophobicContact CE3-CD2 4.16Å; W83-L98 HydrophobicContact CZ3-CD2 3.89Å
99	T	34.8	Very low	36.6	Very low	102 Å²	102	130 Å²	130	63%	0.626	70%	0.697	S	S	*	*			trans	-81.6	112.7	167.7	29.9	0	0	0	0	108.4	Y97 D101	Y97-T99 PolarHBondContact O-N 3.47Å; T99-D101 HydrophobicContact CG2-CB 4.42Å; T99-D101 PolarHBondContact O-N 3.1Å
100	D	36.6	Very low	36.9	Very low	166 Å²	166	134.9 Å²	134.9	89%	0.888	72%	0.721	S	S	*	*			trans	-74.9	44	165.3	-165.3	-119.1	0	0	0	109.9	E102	D100-E102 PolarHBondContact O-N 2.86Å
101	D	34.6	Very low	37.7	Very low	86 Å²	86	131.7 Å²	131.7	46%	0.46	72%	0.718	S	S	.	*			trans	-94.7	98.7	-162.3	-163.4	-105.2	0	0	0	109.9	T99 S103	T99-D101 HydrophobicContact CG2-CB 4.42Å; T99-D101 PolarHBondContact O-N 3.1Å; D101-S103 PolarHBondContact O-N 2.89Å; D101-S103 VanDerWaalsContact OD1-C 3.3Å; D101-S103 WeakPolarHBondContact OD1-CA 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.21Å; D101-S103 PolarHBondContact OD1-N 3.25Å; D101-S103 VanDerWaalsContact OD1-N 3.11Å; D101-S103 PolarHBondContact OD1-OG 3.48Å; D101-S103 PolarHBondContact OD2-OG 2.93Å
102	E	37.6	Very low	37.4	Very low	199 Å²	199	130.9 Å²	130.9	93%	0.93	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	7.9	158.1	-87.6	-174.3	80.1	0	0	113.2	D100	D100-E102 PolarHBondContact O-N 2.86Å
103	S	42	Very low	37.8	Very low	81 Å²	81	133.1 Å²	133.1	57%	0.566	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	12.9	-175.6	-14.4	0	0	0	0	114.4	D101 D105	D101-S103 PolarHBondContact O-N 2.89Å; D101-S103 VanDerWaalsContact OD1-C 3.3Å; D101-S103 WeakPolarHBondContact OD1-CA 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.21Å; D101-S103 PolarHBondContact OD1-N 3.25Å; D101-S103 VanDerWaalsContact OD1-N 3.11Å; D101-S103 PolarHBondContact OD1-OG 3.48Å; D101-S103 PolarHBondContact OD2-OG 2.93Å; S103-D105 PolarHBondContact O-N 2.92Å
104	A	42.5	Very low	38.4	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	73%	0.728	S	S	*	*	S	Bend	trans	-77.8	11	175.4	0	0	0	0	0	115.4
105	D	39.3	Very low	39.1	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	73%	0.732	S	S	*	*	S	Bend	trans	-132.4	63.4	-176.4	-149.5	-87	0	0	0	112	S103	S103-D105 PolarHBondContact O-N 2.92Å
106	E	38.8	Very low	40.3	Very low	185 Å²	185	139.7 Å²	139.7	86%	0.864	75%	0.752	S	S	*	*	S	Bend	trans	-158.7	31.6	170.1	-119.3	-176.5	137.9	0	0	117.2
107	S	42.8	Very low	41.3	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	79%	0.789	S	S	*	*	S	Bend	trans	-143.5	9.8	177	-59	0	0	0	0	118.1
108	Y	43.8	Very low	41.7	Very low	238 Å²	238	146.4 Å²	146.4	93%	0.933	80%	0.797	S	S	*	*	S	Bend	trans	-133.6	22.6	176.3	-78.6	-84.8	0	0	0	114.8
109	A	41.6	Very low	42.1	Very low	103 Å²	103	148.7 Å²	148.7	85%	0.851	81%	0.81	S	S	*	*			trans	-89.6	119.4	166.7	0	0	0	0	0	110.2
110	N	40	Very low	42.5	Very low	155 Å²	155	151.3 Å²	151.3	83%	0.829	82%	0.821	S	S	*	*			trans	102.2	53.9	162.3	-145.6	37.3	0	0	0	118.2
111	E	47.3	Very low	42.9	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	82%	0.817	S	S	*	*			trans	-75.5	109.1	139.4	-171.5	178.3	101.1	0	0	108.6
112	G	37.7	Very low	43.4	Very low	55 Å²	55	154.4 Å²	154.4	57%	0.567	84%	0.839	S	S	*	*			trans	74.7	121.8	139.7	0	0	0	0	0	121
113	S	42.1	Very low	43.8	Very low	117 Å²	117	151.5 Å²	151.5	82%	0.818	83%	0.833	S	S	*	*			trans	96.6	95	137.4	-60.1	0	0	0	0	120.7
114	R	45	Very low	43.9	Very low	240 Å²	240	156.5 Å²	156.5	91%	0.906	85%	0.852	S	S	*	*			trans	-175.4	112.6	135.1	-115.6	179.5	148.6	143.9	-6	105.7
115	I	44.8	Very low	44	Very low	145 Å²	145	161.2 Å²	161.2	74%	0.744	86%	0.857	S	S	*	*				43.5	89	55	-34.2	179	0	0	0	112.4
116	D	55.1	Low	44.4	Very low	158 Å²	158	162 Å²	162	85%	0.845	86%	0.861	S	S	*	*			trans	164.1	94.2	135.5	-106.3	-119.5	0	0	0	110.7
117	D	53.6	Low	44.9	Very low	241 Å²	241	159.9 Å²	159.9	100%	1.289	86%	0.86	S	S	*	*				-176.4	0	124.2	-162.8	-112.7	0	0	0	109.1

Retrieved 117 of 117 residues in 697.7 ms (Link to these results)

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