A0A077Z5U6_TRITR Loading...

DUF5648 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z5U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

						>A0A077Z5U6_TRITR|A0A077Z5U6
MNTNYYGPIGEIALQTNRDCALAKPVYRMYAESLNSEFLTINTTVRQQAIKLGYKDLGIIGSAVARKNDCEATIPLYAFVKKTGEIIQLEEGQDSMAMQADYMYNPNGISFWMWDEKDRDD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	41.3	Very low	229 Å²	229	98.5 Å²	98.5	100%	1.128	52%	0.515	S	S	*	.				0	116.5	0	-72.3	164.1	169.9	0	0	106.5	T3	M1-T3 PolarHBondContact O-N 2.66Å
2	N	31.7	Very low	42	Very low	158 Å²	158	90.7 Å²	90.7	85%	0.845	47%	0.474	S	S	*	.			trans	-84.8	86.1	172.4	-87.2	4.8	0	0	0	107.3	N4	N2-N4 PolarHBondContact O-N 3.28Å
3	T	38.7	Very low	42.4	Very low	93 Å²	93	84.8 Å²	84.8	57%	0.571	45%	0.447	S	S	*	.			trans	-75.1	100.2	159.5	49.5	0	0	0	0	105.2	M1 Y5	M1-T3 PolarHBondContact O-N 2.66Å; T3-Y5 VanDerWaalsContact C-N 3.32Å; T3-Y5 PolarHBondContact O-N 3.28Å
4	N	35.5	Very low	42.8	Very low	91 Å²	91	83.5 Å²	83.5	49%	0.487	44%	0.44	S	S	.	.			trans	-63.8	106.2	164.3	-78.3	-14.3	0	0	0	105.2	N2 Y6	N2-N4 PolarHBondContact O-N 3.28Å; N4-Y6 HydrophobicContact CB-CD2 4.16Å; N4-Y6 HydrophobicContact CB-CE1 3.9Å; N4-Y6 HydrophobicContact CB-CE2 3.37Å; N4-Y6 VanDerWaalsContact CB-OH 3.25Å; N4-Y6 WeakPolarHBondContact CB-OH 3.46Å; N4-Y6 PolarHBondContact ND2-OH 3.21Å; N4-Y6 WeakPolarHBondContact O-CD2 3.25Å; N4-Y6 VanDerWaalsContact O-CE2 3.23Å; N4-Y6 WeakPolarHBondContact O-CE2 3.32Å; N4-Y6 PolarHBondContact O-N 3.21Å; N4-Y6 VanDerWaalsContact O-N 3.17Å
5	Y	36.4	Very low	43.1	Very low	206 Å²	206	88.4 Å²	88.4	81%	0.808	46%	0.459	S	S	*	.			trans	-69.5	109	-179.3	179.2	-98	0	0	0	108.7	T3	T3-Y5 VanDerWaalsContact C-N 3.32Å; T3-Y5 PolarHBondContact O-N 3.28Å
6	Y	43.3	Very low	43.4	Very low	74 Å²	74	87.2 Å²	87.2	29%	0.29	46%	0.457	S	S	.	.			trans	-100.4	20.6	-175.2	-65.3	-65.8	0	0	0	113.9	N4 L14	N4-Y6 HydrophobicContact CB-CD2 4.16Å; N4-Y6 HydrophobicContact CB-CE1 3.9Å; N4-Y6 HydrophobicContact CB-CE2 3.37Å; N4-Y6 VanDerWaalsContact CB-OH 3.25Å; N4-Y6 WeakPolarHBondContact CB-OH 3.46Å; N4-Y6 PolarHBondContact ND2-OH 3.21Å; N4-Y6 WeakPolarHBondContact O-CD2 3.25Å; N4-Y6 VanDerWaalsContact O-CE2 3.23Å; N4-Y6 WeakPolarHBondContact O-CE2 3.32Å; N4-Y6 PolarHBondContact O-N 3.21Å; N4-Y6 VanDerWaalsContact O-N 3.17Å; Y6-L14 HydrophobicContact CE2-CD1 4.4Å; Y6-L14 HydrophobicContact CE2-CD2 3.89Å
7	G	42.4	Very low	44	Very low	25 Å²	25	85.8 Å²	85.8	26%	0.258	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-167.8	-178.2	0	0	0	0	0	112.7	I9	G7-I9 PolarHBondContact O-N 3.22Å
8	P	49	Very low	44.5	Very low	107 Å²	107	93.3 Å²	93.3	70%	0.695	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	8.1	-172	30.2	-35.2	0	0	0	114.5	G10	P8-G10 PolarHBondContact O-N 2.85Å
9	I	50.5	Low	46	Very low	31 Å²	31	96.6 Å²	96.6	16%	0.159	49%	0.49	C	S	.	.	S	Bend	trans	-75.3	88.6	160.9	-55.7	176.5	0	0	0	103.3	G7 E11 I12 L39 L76 Q88	G7-I9 PolarHBondContact O-N 3.22Å; I9-E11 PolarHBondContact O-N 3.45Å; I9-I12 HydrophobicContact CG2-CD1 3.97Å; I9-I12 HydrophobicContact CG2-CG1 4.06Å; I9-L39 HydrophobicContact CD1-CD1 3.74Å; I9-L39 HydrophobicContact CG2-CD1 3.74Å; I9-L76 HydrophobicContact CB-CD1 4.43Å; I9-L76 HydrophobicContact CG1-CD1 4.28Å; I9-L76 HydrophobicContact CG2-CD1 3.71Å; I9-L76 HydrophobicContact CG2-CD2 4.11Å; I9-Q88 HydrophobicContact CD1-CB 4.43Å
10	G	46	Very low	47.8	Very low	18 Å²	18	92.3 Å²	92.3	19%	0.186	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	137.4	-173.1	0	0	0	0	0	109.8	P8 I12 E90	P8-G10 PolarHBondContact O-N 2.85Å; G10-I12 VanDerWaalsContact C-N 3.29Å; G10-I12 PolarHBondContact O-N 3.05Å; G10-E90 WeakPolarHBondContact CA-OE1 3.03Å; G10-E90 PolarHBondContact N-OE1 3.3Å
11	E	44.8	Very low	49.7	Very low	51 Å²	51	93 Å²	93	24%	0.238	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	93.9	-158.9	-171.4	-179.1	-163.6	0	0	110	I9 A13 L14 R119	I9-E11 PolarHBondContact O-N 3.45Å; E11-A13 PolarHBondContact O-N 3Å; E11-L14 HydrophobicContact CG-CD1 4.22Å; E11-R119 IonicContact OE1-NH1 3.78Å; E11-R119 IonicContact OE2-CZ 3.13Å; E11-R119 IonicContact OE2-NH1 2.69Å; E11-R119 PolarHBondContact OE2-NH1 2.77Å; E11-R119 IonicContact OE2-NH2 2.72Å; E11-R119 PolarHBondContact OE2-NH2 2.95Å
12	I	50	Low	52.3	Low	5 Å²	5	86.4 Å²	86.4	3%	0.026	46%	0.458	C	S	.	.			trans	-51.6	116.2	180	-68.8	171.3	0	0	0	103.6	I9 G10 L14 V26 L39 I60 F111 M113	I9-I12 HydrophobicContact CG2-CD1 3.97Å; I9-I12 HydrophobicContact CG2-CG1 4.06Å; G10-I12 VanDerWaalsContact C-N 3.29Å; G10-I12 PolarHBondContact O-N 3.05Å; I12-L14 WeakPolarHBondContact O-CA 3.24Å; I12-L14 PolarHBondContact O-N 3.17Å; I12-V26 HydrophobicContact CD1-CG1 3.8Å; I12-V26 HydrophobicContact CG2-CB 3.95Å; I12-V26 HydrophobicContact CG2-CG1 4.34Å; I12-V26 HydrophobicContact CG2-CG2 3.63Å; I12-L39 HydrophobicContact CD1-CD1 3.38Å; I12-I60 HydrophobicContact CD1-CD1 3.42Å; I12-I60 VanDerWaalsContact CD1-CD1 3.42Å; I12-I60 HydrophobicContact CD1-CG1 4Å; I12-F111 HydrophobicContact CD1-CZ 4.32Å; I12-M113 HydrophobicContact CB-SD 4.49Å; I12-M113 HydrophobicContact CG1-SD 3.68Å
13	A	47.3	Very low	55.1	Low	14 Å²	14	80.2 Å²	80.2	12%	0.116	43%	0.429	C	S	.	.			trans	-44.1	98.9	-167.3	0	0	0	0	0	108.2	E11 Q15 G61 S62 W114	E11-A13 PolarHBondContact O-N 3Å; A13-Q15 CarbonylContact C-O 3.59Å; A13-Q15 VanDerWaalsContact CB-O 3.24Å; A13-Q15 WeakPolarHBondContact CB-O 3.4Å; A13-Q15 CarbonylContact O-C 3.46Å; A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-O 3.06Å; A13-G61 VanDerWaalsContact O-CA 3.29Å; A13-G61 WeakPolarHBondContact O-CA 3.29Å; A13-S62 PolarHBondContact O-N 3.31Å; A13-S62 VanDerWaalsContact O-N 3.08Å; A13-W114 HydrophobicContact CB-CE3 3.65Å; A13-W114 HydrophobicContact CB-CZ3 3.83Å
14	L	47.5	Very low	57.6	Low	67 Å²	67	80.5 Å²	80.5	35%	0.351	42%	0.422	S	S	.	.	S	Bend	trans	-65.5	-29.8	-174.6	-83.9	166	0	0	0	107.1	Y6 E11 I12 T16 I60	Y6-L14 HydrophobicContact CE2-CD1 4.4Å; Y6-L14 HydrophobicContact CE2-CD2 3.89Å; E11-L14 HydrophobicContact CG-CD1 4.22Å; I12-L14 WeakPolarHBondContact O-CA 3.24Å; I12-L14 PolarHBondContact O-N 3.17Å; L14-T16 PolarHBondContact O-N 3.31Å; L14-I60 WeakPolarHBondContact CD2-O 3.33Å
15	Q	46.5	Very low	60.3	Low	157 Å²	157	78.1 Å²	78.1	73%	0.734	41%	0.412	S	S	*	.	S	Bend	trans	-71.1	102.9	154.8	-71.5	-178.1	-7.4	0	0	108.8	A13 N17	A13-Q15 CarbonylContact C-O 3.59Å; A13-Q15 VanDerWaalsContact CB-O 3.24Å; A13-Q15 WeakPolarHBondContact CB-O 3.4Å; A13-Q15 CarbonylContact O-C 3.46Å; A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-O 3.06Å; Q15-N17 PolarHBondContact O-N 2.81Å
16	T	49.1	Very low	63	Low	69 Å²	69	68.3 Å²	68.3	42%	0.423	37%	0.373	S	S	.	.			trans	-33.7	109	142.3	29.3	0	0	0	0	107.6	L14 R18 S62	L14-T16 PolarHBondContact O-N 3.31Å; T16-R18 WeakPolarHBondContact O-CG 3.46Å; T16-R18 PolarHBondContact O-N 2.45Å; T16-S62 WeakPolarHBondContact CA-OG 3.44Å
17	N	53.3	Low	65.4	Low	63 Å²	63	66.1 Å²	66.1	34%	0.337	37%	0.365	S	S	.	.			trans	-63.2	94.3	168.2	-178.8	-21.1	0	0	0	104.3	Q15 D19 C20 S62 W114	Q15-N17 PolarHBondContact O-N 2.81Å; N17-D19 PolarHBondContact O-N 2.95Å; N17-D19 PolarHBondContact OD1-N 2.88Å; N17-C20 HydrophobicContact CB-CB 4.24Å; N17-C20 PolarHBondContact O-N 2.6Å; N17-S62 PolarHBondContact N-OG 3.42Å; N17-W114 HydrophobicContact CB-CH2 4.34Å; N17-W114 HydrophobicContact CB-CZ2 4.29Å
18	R	53.3	Low	67.8	Low	221 Å²	221	68.1 Å²	68.1	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.1	-166.3	-71	-167.3	178.3	-172.6	1.3	111.3	T16	T16-R18 WeakPolarHBondContact O-CG 3.46Å; T16-R18 PolarHBondContact O-N 2.45Å
19	D	73.2	Confident	70	Confident	156 Å²	156	63 Å²	63	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-4	-177.3	-58.5	-30	0	0	0	112.6	N17	N17-D19 PolarHBondContact O-N 2.95Å; N17-D19 PolarHBondContact OD1-N 2.88Å
20	C	82.1	Confident	72.1	Confident	11 Å²	11	64 Å²	64	7%	0.074	33%	0.333	C	S	.	.			trans	-94.2	100.8	176	178.9	0	0	0	0	111.8	N17 L22 A23 C70	N17-C20 HydrophobicContact CB-CB 4.24Å; N17-C20 PolarHBondContact O-N 2.6Å; C20-L22 PolarHBondContact O-N 2.76Å; C20-L22 VanDerWaalsContact O-N 3.09Å; C20-A23 HydrophobicContact CB-CB 3.86Å; C20-A23 VanDerWaalsContact O-CB 3.27Å; C20-A23 WeakPolarHBondContact O-CB 3.26Å; C20-A23 PolarHBondContact O-N 2.81Å; C20-A23 PolarHBondContact SG-N 3.17Å; C20-C70 HydrophobicContact CB-CB 3.67Å; C20-C70 WeakPolarHBondContact CB-SG 3.47Å; C20-C70 WeakPolarHBondContact SG-CB 3.36Å; C20-C70 CovalentContact SG-SG 2.01Å; C20-C70 PolarHBondContact SG-SG 2.88Å
21	A	87.7	Confident	74.4	Confident	107 Å²	107	63.3 Å²	63.3	88%	0.884	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	175.2	0	0	0	0	0	114
22	L	91	Very high	76.6	Confident	91 Å²	91	66.7 Å²	66.7	48%	0.476	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.1	176.5	-57.8	176.5	0	0	0	112.7	C20 V64 D69	C20-L22 PolarHBondContact O-N 2.76Å; C20-L22 VanDerWaalsContact O-N 3.09Å; L22-V64 HydrophobicContact CB-CG1 4.44Å; L22-D69 HydrophobicContact CB-CB 4.49Å; L22-D69 HydrophobicContact CD1-CB 3.87Å
23	A	89.6	Confident	78.4	Confident	27 Å²	27	72 Å²	72	22%	0.223	38%	0.379	C	S	.	.			trans	-67.5	133.8	-178.9	0	0	0	0	0	110.2	C20 W114	C20-A23 HydrophobicContact CB-CB 3.86Å; C20-A23 VanDerWaalsContact O-CB 3.27Å; C20-A23 WeakPolarHBondContact O-CB 3.26Å; C20-A23 PolarHBondContact O-N 2.81Å; C20-A23 PolarHBondContact SG-N 3.17Å; A23-W114 HydrophobicContact CB-CH2 4.46Å
24	K	92	Very high	80.3	Confident	99 Å²	99	74 Å²	74	43%	0.43	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.6	179	-65.7	-175.7	-172.8	176.8	0	109.5	V26 I41 S62 A63	K24-V26 PolarHBondContact O-N 2.84Å; K24-I41 HydrophobicContact CB-CB 3.83Å; K24-I41 HydrophobicContact CB-CD1 4.37Å; K24-I41 HydrophobicContact CB-CG2 4.2Å; K24-I41 HydrophobicContact CD-CB 4.47Å; K24-I41 HydrophobicContact CD-CD1 4.22Å; K24-S62 VanDerWaalsContact O-CA 3.25Å; K24-S62 WeakPolarHBondContact O-CA 3.47Å; K24-A63 PolarHBondContact N-O 2.82Å; K24-A63 PolarHBondContact O-N 2.69Å
25	P	92	Very high	82.2	Confident	42 Å²	42	76.9 Å²	76.9	27%	0.273	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.1	174.7	27	-35.3	0	0	0	110.7	Y27 I41 I59 G61	P25-Y27 HydrophobicContact CB-CE1 4.34Å; P25-Y27 HydrophobicContact CB-CE2 4.41Å; P25-Y27 HydrophobicContact CG-CE1 4.19Å; P25-Y27 HydrophobicContact CG-CE2 3.82Å; P25-Y27 VanDerWaalsContact CG-CZ 3.5Å; P25-Y27 VanDerWaalsContact CG-OH 3.26Å; P25-Y27 WeakPolarHBondContact CG-OH 3.11Å; P25-I41 WeakPolarHBondContact O-CA 3.33Å; P25-I59 HydrophobicContact CB-CB 4.39Å; P25-I59 HydrophobicContact CB-CD1 3.65Å; P25-I59 HydrophobicContact CB-CG1 3.83Å; P25-I59 HydrophobicContact CB-CG2 3.66Å; P25-I59 HydrophobicContact CG-CD1 4.4Å; P25-G61 WeakPolarHBondContact CA-O 3.26Å
26	V	92.3	Very high	84.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.8	170.5	-179	0	0	0	0	108.6	I12 K24 L39 I41 I59 I60 G61 A63 F111	I12-V26 HydrophobicContact CD1-CG1 3.8Å; I12-V26 HydrophobicContact CG2-CB 3.95Å; I12-V26 HydrophobicContact CG2-CG1 4.34Å; I12-V26 HydrophobicContact CG2-CG2 3.63Å; K24-V26 PolarHBondContact O-N 2.84Å; V26-L39 HydrophobicContact CG1-CB 3.97Å; V26-I41 HydrophobicContact CB-CG2 4.4Å; V26-I41 HydrophobicContact CG2-CG2 3.63Å; V26-I59 CarbonylContact O-C 3.16Å; V26-I59 VanDerWaalsContact O-CA 3.31Å; V26-I59 WeakPolarHBondContact O-CA 3.48Å; V26-I60 HydrophobicContact CB-CG1 4.27Å; V26-I60 HydrophobicContact CG1-CD1 4.36Å; V26-I60 HydrophobicContact CG1-CG1 3.99Å; V26-I60 PolarHBondContact O-N 2.94Å; V26-G61 PolarHBondContact N-O 3.16Å; V26-A63 HydrophobicContact CG2-CB 3.51Å; V26-F111 HydrophobicContact CG1-CE1 3.98Å; V26-F111 HydrophobicContact CG1-CZ 3.69Å; V26-F111 HydrophobicContact CG2-CE1 4.46Å; V26-F111 HydrophobicContact CG2-CE2 4.21Å; V26-F111 HydrophobicContact CG2-CZ 4.1Å
27	Y	93.6	Very high	86.1	Confident	27 Å²	27	70.4 Å²	70.4	11%	0.106	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.7	176.3	-55.3	-78.3	0	0	0	110.5	P25 L39 T40 T43 R46 G58 I59	P25-Y27 HydrophobicContact CB-CE1 4.34Å; P25-Y27 HydrophobicContact CB-CE2 4.41Å; P25-Y27 HydrophobicContact CG-CE1 4.19Å; P25-Y27 HydrophobicContact CG-CE2 3.82Å; P25-Y27 VanDerWaalsContact CG-CZ 3.5Å; P25-Y27 VanDerWaalsContact CG-OH 3.26Å; P25-Y27 WeakPolarHBondContact CG-OH 3.11Å; Y27-L39 CarbonylContact O-C 3.46Å; Y27-L39 VanDerWaalsContact O-CA 3.3Å; Y27-L39 WeakPolarHBondContact O-CA 3.36Å; Y27-T40 VanDerWaalsContact CD2-O 3.28Å; Y27-T40 WeakPolarHBondContact CD2-O 3.45Å; Y27-T40 PolarHBondContact N-O 2.87Å; Y27-T40 PolarHBondContact O-N 3.41Å; Y27-T43 HydrophobicContact CE2-CG2 4.3Å; Y27-R46 HydrophobicContact CD2-CB 4.43Å; Y27-R46 HydrophobicContact CG-CG 4.36Å; Y27-G58 WeakPolarHBondContact CA-O 3.36Å; Y27-I59 HydrophobicContact CD1-CG1 3.86Å; Y27-I59 HydrophobicContact CE1-CD1 4.14Å; Y27-I59 HydrophobicContact CE1-CG1 3.78Å
28	R	93.8	Very high	88	Confident	67 Å²	67	68 Å²	68	25%	0.253	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.7	173.4	-176.5	-179.9	-176.7	-136.4	4.6	110	E37 L39 L57 G58 I60	R28-E37 IonicContact CZ-OE1 2.88Å; R28-E37 VanDerWaalsContact CZ-OE1 3.23Å; R28-E37 IonicContact CZ-OE2 2.6Å; R28-E37 IonicContact NE-OE1 3.08Å; R28-E37 PolarHBondContact NE-OE1 3.19Å; R28-E37 IonicContact NE-OE2 3.23Å; R28-E37 PolarHBondContact NE-OE2 3.17Å; R28-E37 IonicContact NH2-OE1 2.76Å; R28-E37 PolarHBondContact NH2-OE1 2.97Å; R28-E37 IonicContact NH2-OE2 3.17Å; R28-E37 PolarHBondContact NH2-OE2 2.92Å; R28-L39 HydrophobicContact CB-CD2 3.83Å; R28-L39 HydrophobicContact CG-CD2 3.81Å; R28-L57 HydrophobicContact CB-CB 4.21Å; R28-L57 HydrophobicContact CG-CB 4.19Å; R28-L57 HydrophobicContact CG-CD1 4.2Å; R28-L57 WeakPolarHBondContact O-CB 2.99Å; R28-L57 PolarHBondContact O-N 3.14Å; R28-G58 PolarHBondContact N-O 2.85Å; R28-I60 HydrophobicContact CB-CD1 4.43Å; R28-I60 HydrophobicContact CB-CG2 3.94Å
29	M	94.8	Very high	89.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	-176.5	-54.7	-52.5	-55.7	0	0	109.9	E37 F38 T40 R46 A49 I50 Y54 K55 D56	M29-E37 CarbonylContact O-C 3.34Å; M29-E37 WeakPolarHBondContact O-CA 3.36Å; M29-E37 VanDerWaalsContact O-CB 3.26Å; M29-E37 WeakPolarHBondContact O-CB 3.25Å; M29-F38 HydrophobicContact CB-CD1 3.83Å; M29-F38 HydrophobicContact CB-CD2 4.49Å; M29-F38 HydrophobicContact CB-CE1 3.45Å; M29-F38 VanDerWaalsContact CB-CE1 3.45Å; M29-F38 HydrophobicContact CB-CE2 4.15Å; M29-F38 HydrophobicContact CB-CG 4.34Å; M29-F38 HydrophobicContact CB-CZ 3.62Å; M29-F38 HydrophobicContact CG-CE1 4.05Å; M29-F38 HydrophobicContact CG-CE2 3.95Å; M29-F38 HydrophobicContact CG-CZ 3.66Å; M29-F38 PolarHBondContact N-O 3.16Å; M29-F38 PolarHBondContact O-N 2.98Å; M29-T40 HydrophobicContact CG-CG2 4.31Å; M29-R46 HydrophobicContact CE-CG 4.37Å; M29-R46 HydrophobicContact SD-CB 4.5Å; M29-R46 HydrophobicContact SD-CG 3.91Å; M29-A49 HydrophobicContact CE-CB 4.07Å; M29-I50 HydrophobicContact CE-CG1 3.84Å; M29-Y54 HydrophobicContact CB-CD1 4.14Å; M29-K55 WeakPolarHBondContact CA-O 3.5Å; M29-D56 HydrophobicContact CE-CB 3.87Å; M29-D56 HydrophobicContact SD-CB 4.16Å
30	Y	94.9	Very high	90.9	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	-177	173.7	-107.8	0	0	0	112.2	E32 N35 S36 E37 Y54 K55 L57	Y30-E32 HydrophobicContact CE1-CB 3.86Å; Y30-E32 HydrophobicContact CE1-CG 4.37Å; Y30-N35 PolarHBondContact OH-OD1 2.88Å; Y30-S36 WeakPolarHBondContact CD2-O 3.46Å; Y30-E37 HydrophobicContact CD2-CB 4.2Å; Y30-Y54 CarbonylContact O-C 3.51Å; Y30-Y54 VanDerWaalsContact O-CA 3.32Å; Y30-Y54 WeakPolarHBondContact O-CA 3.38Å; Y30-K55 HydrophobicContact CD1-CD 4.37Å; Y30-K55 PolarHBondContact N-O 2.87Å; Y30-K55 PolarHBondContact O-N 3Å; Y30-L57 HydrophobicContact CG-CD1 4.34Å
31	A	93.2	Very high	91.4	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.7	171	0	0	0	0	0	110.4	S33 L34 N35 S36 Y54	A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.46Å; A31-L34 HydrophobicContact CB-CB 4.17Å; A31-L34 HydrophobicContact CB-CD1 4.28Å; A31-L34 HydrophobicContact CB-CG 4.37Å; A31-L34 PolarHBondContact O-N 3.04Å; A31-N35 PolarHBondContact O-N 3.26Å; A31-S36 PolarHBondContact N-O 3.25Å; A31-S36 PolarHBondContact O-N 3.09Å; A31-Y54 HydrophobicContact CB-CD1 3.58Å; A31-Y54 HydrophobicContact CB-CD2 4.17Å; A31-Y54 HydrophobicContact CB-CE1 3.28Å; A31-Y54 HydrophobicContact CB-CE2 3.92Å; A31-Y54 HydrophobicContact CB-CG 4.01Å; A31-Y54 VanDerWaalsContact CB-CZ 3.47Å
32	E	91.2	Very high	91.8	Very high	122 Å²	122	49.3 Å²	49.3	57%	0.57	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-65.3	-36.1	178.4	-171.9	168.3	179.8	0	0	112.4	Y30 L34 N35 K55	Y30-E32 HydrophobicContact CE1-CB 3.86Å; Y30-E32 HydrophobicContact CE1-CG 4.37Å; E32-L34 PolarHBondContact O-N 2.87Å; E32-N35 PolarHBondContact O-N 2.84Å; E32-K55 IonicContact OE2-NZ 2.66Å; E32-K55 PolarHBondContact OE2-NZ 3.45Å
33	S	88.5	Confident	92	Very high	117 Å²	117	48.9 Å²	48.9	82%	0.818	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.3	178.4	54	0	0	0	0	114.2	A31	A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.46Å
34	L	86.9	Confident	92.3	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.288	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-105.6	-7.4	178.1	-64.1	177.9	0	0	0	112.2	A31 E32 S36 E85	A31-L34 HydrophobicContact CB-CB 4.17Å; A31-L34 HydrophobicContact CB-CD1 4.28Å; A31-L34 HydrophobicContact CB-CG 4.37Å; A31-L34 PolarHBondContact O-N 3.04Å; E32-L34 PolarHBondContact O-N 2.87Å; L34-S36 VanDerWaalsContact CB-OG 3.25Å; L34-S36 WeakPolarHBondContact CB-OG 3.45Å; L34-S36 PolarHBondContact O-N 3.45Å; L34-E85 HydrophobicContact CB-CG 4.38Å
35	N	87	Confident	92.4	Very high	129 Å²	129	50.1 Å²	50.1	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	43.9	-167.1	-169.9	47	0	0	0	111.9	Y30 A31 E32	Y30-N35 PolarHBondContact OH-OD1 2.88Å; A31-N35 PolarHBondContact O-N 3.26Å; E32-N35 PolarHBondContact O-N 2.84Å
36	S	87.5	Confident	92.7	Very high	16 Å²	16	51.1 Å²	51.1	11%	0.112	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.3	-173.5	71.3	0	0	0	0	110.9	Y30 A31 L34	Y30-S36 WeakPolarHBondContact CD2-O 3.46Å; A31-S36 PolarHBondContact N-O 3.25Å; A31-S36 PolarHBondContact O-N 3.09Å; L34-S36 VanDerWaalsContact CB-OG 3.25Å; L34-S36 WeakPolarHBondContact CB-OG 3.45Å; L34-S36 PolarHBondContact O-N 3.45Å
37	E	90.3	Very high	92.9	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.341	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.1	172.4	62.9	-169.8	-130.7	0	0	112	R28 M29 Y30	R28-E37 IonicContact CZ-OE1 2.88Å; R28-E37 VanDerWaalsContact CZ-OE1 3.23Å; R28-E37 IonicContact CZ-OE2 2.6Å; R28-E37 IonicContact NE-OE1 3.08Å; R28-E37 PolarHBondContact NE-OE1 3.19Å; R28-E37 IonicContact NE-OE2 3.23Å; R28-E37 PolarHBondContact NE-OE2 3.17Å; R28-E37 IonicContact NH2-OE1 2.76Å; R28-E37 PolarHBondContact NH2-OE1 2.97Å; R28-E37 IonicContact NH2-OE2 3.17Å; R28-E37 PolarHBondContact NH2-OE2 2.92Å; M29-E37 CarbonylContact O-C 3.34Å; M29-E37 WeakPolarHBondContact O-CA 3.36Å; M29-E37 VanDerWaalsContact O-CB 3.26Å; M29-E37 WeakPolarHBondContact O-CB 3.25Å; Y30-E37 HydrophobicContact CD2-CB 4.2Å
38	F	92.1	Very high	93	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.8	169.3	77.1	-88.2	0	0	0	110.6	M29 T40 V45 A49 Y54 I86 Q88	M29-F38 HydrophobicContact CB-CD1 3.83Å; M29-F38 HydrophobicContact CB-CD2 4.49Å; M29-F38 HydrophobicContact CB-CE1 3.45Å; M29-F38 VanDerWaalsContact CB-CE1 3.45Å; M29-F38 HydrophobicContact CB-CE2 4.15Å; M29-F38 HydrophobicContact CB-CG 4.34Å; M29-F38 HydrophobicContact CB-CZ 3.62Å; M29-F38 HydrophobicContact CG-CE1 4.05Å; M29-F38 HydrophobicContact CG-CE2 3.95Å; M29-F38 HydrophobicContact CG-CZ 3.66Å; M29-F38 PolarHBondContact N-O 3.16Å; M29-F38 PolarHBondContact O-N 2.98Å; F38-T40 HydrophobicContact CE2-CG2 3.9Å; F38-V45 HydrophobicContact CE2-CG1 3.79Å; F38-V45 HydrophobicContact CZ-CG1 4.08Å; F38-A49 HydrophobicContact CE1-CB 4.04Å; F38-A49 HydrophobicContact CZ-CB 3.73Å; F38-Y54 HydrophobicContact CD1-CD1 4.03Å; F38-Y54 AromaticContact CD1-CE1 3.64Å; F38-Y54 HydrophobicContact CD1-CE1 3.64Å; F38-Y54 AromaticContact CE1-CD1 3.6Å; F38-Y54 HydrophobicContact CE1-CD1 3.6Å; F38-Y54 AromaticContact CE1-CE1 3.47Å; F38-Y54 HydrophobicContact CE1-CE1 3.47Å; F38-Y54 VanDerWaalsContact CE1-CE1 3.47Å; F38-Y54 HydrophobicContact CE1-CG 4.36Å; F38-I86 HydrophobicContact CB-CB 3.87Å; F38-I86 HydrophobicContact CB-CD1 3.96Å; F38-I86 HydrophobicContact CB-CG1 4.46Å; F38-I86 HydrophobicContact CB-CG2 3.87Å; F38-I86 HydrophobicContact CD1-CD1 3.77Å; F38-I86 HydrophobicContact CD2-CD1 4.28Å; F38-I86 HydrophobicContact CE1-CD1 4.31Å; F38-I86 HydrophobicContact CG-CD1 3.74Å; F38-Q88 VanDerWaalsContact CA-OE1 3.29Å
39	L	93.4	Very high	93.1	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.4	-175.8	-53.3	-178	0	0	0	109.6	I9 I12 V26 Y27 R28 I60 L76 Q88 F111	I9-L39 HydrophobicContact CD1-CD1 3.74Å; I9-L39 HydrophobicContact CG2-CD1 3.74Å; I12-L39 HydrophobicContact CD1-CD1 3.38Å; V26-L39 HydrophobicContact CG1-CB 3.97Å; Y27-L39 CarbonylContact O-C 3.46Å; Y27-L39 VanDerWaalsContact O-CA 3.3Å; Y27-L39 WeakPolarHBondContact O-CA 3.36Å; R28-L39 HydrophobicContact CB-CD2 3.83Å; R28-L39 HydrophobicContact CG-CD2 3.81Å; L39-I60 HydrophobicContact CD1-CD1 4.05Å; L39-I60 HydrophobicContact CD2-CD1 3.56Å; L39-I60 HydrophobicContact CG-CD1 4.45Å; L39-L76 HydrophobicContact CB-CD2 4.35Å; L39-L76 HydrophobicContact CD1-CD2 4.21Å; L39-Q88 PolarHBondContact O-NE2 3.47Å; L39-F111 HydrophobicContact CB-CE1 3.91Å; L39-F111 HydrophobicContact CB-CZ 3.93Å; L39-F111 HydrophobicContact CD1-CZ 4.48Å
40	T	94.2	Very high	93.2	Very high	11 Å²	11	59.7 Å²	59.7	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146	176.4	-168.1	0	0	0	0	112.2	Y27 M29 F38 N42 V45 R46	Y27-T40 VanDerWaalsContact CD2-O 3.28Å; Y27-T40 WeakPolarHBondContact CD2-O 3.45Å; Y27-T40 PolarHBondContact N-O 2.87Å; Y27-T40 PolarHBondContact O-N 3.41Å; M29-T40 HydrophobicContact CG-CG2 4.31Å; F38-T40 HydrophobicContact CE2-CG2 3.9Å; T40-N42 PolarHBondContact OG1-N 2.66Å; T40-N42 VanDerWaalsContact OG1-N 3.08Å; T40-V45 HydrophobicContact CG2-CB 4.48Å; T40-V45 HydrophobicContact CG2-CG1 4.29Å; T40-R46 HydrophobicContact CG2-CB 4.21Å
41	I	94.1	Very high	93.3	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.046	34%	0.344	C	S	.	.			trans	-98.7	-3.9	165	63.9	173	0	0	0	112.6	K24 P25 V26 A63 A65 F111	K24-I41 HydrophobicContact CB-CB 3.83Å; K24-I41 HydrophobicContact CB-CD1 4.37Å; K24-I41 HydrophobicContact CB-CG2 4.2Å; K24-I41 HydrophobicContact CD-CB 4.47Å; K24-I41 HydrophobicContact CD-CD1 4.22Å; P25-I41 WeakPolarHBondContact O-CA 3.33Å; V26-I41 HydrophobicContact CB-CG2 4.4Å; V26-I41 HydrophobicContact CG2-CG2 3.63Å; I41-A63 HydrophobicContact CG2-CB 3.92Å; I41-A65 HydrophobicContact CD1-CB 4.06Å; I41-F111 HydrophobicContact CD1-CB 3.65Å; I41-F111 HydrophobicContact CG1-CB 4.01Å; I41-F111 HydrophobicContact CG1-CD1 4.4Å; I41-F111 HydrophobicContact CG2-CB 4.25Å; I41-F111 HydrophobicContact CG2-CD1 3.96Å; I41-F111 HydrophobicContact CG2-CG 4.14Å
42	N	95.4	Very high	93.3	Very high	76 Å²	76	71.6 Å²	71.6	41%	0.406	38%	0.375	S	S	.	.			trans	-89.3	112.2	-174.9	-174.1	-34	0	0	0	109.8	T40 T44 V45 R46	T40-N42 PolarHBondContact OG1-N 2.66Å; T40-N42 VanDerWaalsContact OG1-N 3.08Å; N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 3.04Å; N42-T44 WeakPolarHBondContact OD1-CA 3.32Å; N42-T44 VanDerWaalsContact OD1-CB 3.31Å; N42-T44 WeakPolarHBondContact OD1-CB 3.25Å; N42-T44 PolarHBondContact OD1-N 2.81Å; N42-V45 HydrophobicContact CB-CB 4.03Å; N42-V45 HydrophobicContact CB-CG2 3.83Å; N42-V45 PolarHBondContact O-N 2.97Å; N42-V45 VanDerWaalsContact O-N 3.16Å; N42-V45 PolarHBondContact OD1-N 3.44Å; N42-R46 PolarHBondContact O-N 3.3Å
43	T	95.3	Very high	93.5	Very high	81 Å²	81	68.6 Å²	68.6	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-33.3	-178.8	51.3	0	0	0	0	112.7	Y27 R46 Q47	Y27-T43 HydrophobicContact CE2-CG2 4.3Å; T43-R46 PolarHBondContact O-N 2.91Å; T43-Q47 WeakPolarHBondContact O-CB 3.44Å; T43-Q47 VanDerWaalsContact O-CG 3.24Å; T43-Q47 WeakPolarHBondContact O-CG 3.5Å; T43-Q47 PolarHBondContact O-N 3.32Å
44	T	96.5	Very high	93.8	Very high	99 Å²	99	64.7 Å²	64.7	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-44	175.3	-56.7	0	0	0	0	111.2	N42 Q47 Q48	N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 3.04Å; N42-T44 WeakPolarHBondContact OD1-CA 3.32Å; N42-T44 VanDerWaalsContact OD1-CB 3.31Å; N42-T44 WeakPolarHBondContact OD1-CB 3.25Å; N42-T44 PolarHBondContact OD1-N 2.81Å; T44-Q47 PolarHBondContact O-N 2.95Å; T44-Q48 WeakPolarHBondContact O-CB 2.94Å; T44-Q48 PolarHBondContact O-N 2.96Å
45	V	94.3	Very high	94.3	Very high	54 Å²	54	67 Å²	67	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-44.6	176.8	175.6	0	0	0	0	110.6	F38 T40 N42 Q47 Q48 A49	F38-V45 HydrophobicContact CE2-CG1 3.79Å; F38-V45 HydrophobicContact CZ-CG1 4.08Å; T40-V45 HydrophobicContact CG2-CB 4.48Å; T40-V45 HydrophobicContact CG2-CG1 4.29Å; N42-V45 HydrophobicContact CB-CB 4.03Å; N42-V45 HydrophobicContact CB-CG2 3.83Å; N42-V45 PolarHBondContact O-N 2.97Å; N42-V45 VanDerWaalsContact O-N 3.16Å; N42-V45 PolarHBondContact OD1-N 3.44Å; V45-Q47 PolarHBondContact O-N 3.49Å; V45-Q48 PolarHBondContact O-N 2.83Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 2.94Å
46	R	96.9	Very high	94.8	Very high	62 Å²	62	63.3 Å²	63.3	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-54.5	-51.6	173.1	175.5	-172.1	176.7	-131.8	-5.7	111.7	Y27 M29 T40 N42 T43 Q48 A49 I50 D56	Y27-R46 HydrophobicContact CD2-CB 4.43Å; Y27-R46 HydrophobicContact CG-CG 4.36Å; M29-R46 HydrophobicContact CE-CG 4.37Å; M29-R46 HydrophobicContact SD-CB 4.5Å; M29-R46 HydrophobicContact SD-CG 3.91Å; T40-R46 HydrophobicContact CG2-CB 4.21Å; N42-R46 PolarHBondContact O-N 3.3Å; T43-R46 PolarHBondContact O-N 2.91Å; R46-Q48 VanDerWaalsContact C-N 3.33Å; R46-Q48 PolarHBondContact O-N 2.87Å; R46-A49 PolarHBondContact O-N 3.22Å; R46-I50 HydrophobicContact CG-CD1 4.1Å; R46-I50 WeakPolarHBondContact O-CG1 3.24Å; R46-I50 PolarHBondContact O-N 3.21Å; R46-D56 IonicContact CZ-OD2 2.69Å; R46-D56 IonicContact NE-OD2 2.66Å; R46-D56 PolarHBondContact NE-OD2 2.77Å; R46-D56 IonicContact NH2-OD2 3.11Å; R46-D56 PolarHBondContact NH2-OD2 3.46Å
47	Q	98	Very high	95.1	Very high	86 Å²	86	66.3 Å²	66.3	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-36.4	-178.6	-69.7	-58.5	-36.8	0	0	112.4	T43 T44 V45 K51	T43-Q47 WeakPolarHBondContact O-CB 3.44Å; T43-Q47 VanDerWaalsContact O-CG 3.24Å; T43-Q47 WeakPolarHBondContact O-CG 3.5Å; T43-Q47 PolarHBondContact O-N 3.32Å; T44-Q47 PolarHBondContact O-N 2.95Å; V45-Q47 PolarHBondContact O-N 3.49Å; Q47-K51 WeakPolarHBondContact O-CG 3.23Å; Q47-K51 PolarHBondContact O-N 2.69Å; Q47-K51 VanDerWaalsContact O-N 3.14Å
48	Q	95.8	Very high	95.1	Very high	117 Å²	117	64.2 Å²	64.2	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-42.4	174.3	-174.9	172.7	3.3	0	0	111.6	T44 V45 R46 I50 K51 L52	T44-Q48 WeakPolarHBondContact O-CB 2.94Å; T44-Q48 PolarHBondContact O-N 2.96Å; V45-Q48 PolarHBondContact O-N 2.83Å; R46-Q48 VanDerWaalsContact C-N 3.33Å; R46-Q48 PolarHBondContact O-N 2.87Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; Q48-I50 PolarHBondContact O-N 3.24Å; Q48-K51 WeakPolarHBondContact O-CB 3.31Å; Q48-K51 PolarHBondContact O-N 2.72Å; Q48-K51 VanDerWaalsContact O-N 3.16Å; Q48-L52 HydrophobicContact CG-CD1 4.13Å; Q48-L52 WeakPolarHBondContact O-CG 3.47Å; Q48-L52 PolarHBondContact O-N 2.61Å
49	A	94	Very high	95	Very high	5 Å²	5	68.5 Å²	68.5	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-42.1	176.9	0	0	0	0	0	111.8	M29 F38 V45 R46 K51 L52 G53 Y54	M29-A49 HydrophobicContact CE-CB 4.07Å; F38-A49 HydrophobicContact CE1-CB 4.04Å; F38-A49 HydrophobicContact CZ-CB 3.73Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 2.94Å; R46-A49 PolarHBondContact O-N 3.22Å; A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.2Å; A49-L52 CarbonylContact O-C 3.48Å; A49-L52 WeakPolarHBondContact O-CA 3.3Å; A49-L52 PolarHBondContact O-N 2.85Å; A49-G53 PolarHBondContact O-N 2.66Å; A49-G53 VanDerWaalsContact O-N 3.17Å; A49-Y54 HydrophobicContact CB-CD2 4.11Å; A49-Y54 HydrophobicContact CB-CG 3.96Å; A49-Y54 WeakPolarHBondContact O-CB 3.14Å; A49-Y54 WeakPolarHBondContact O-CD2 3.42Å; A49-Y54 PolarHBondContact O-N 3.08Å
50	I	97.6	Very high	94.6	Very high	66 Å²	66	68.8 Å²	68.8	34%	0.338	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-44.9	173.5	-68	166.2	0	0	0	110.8	M29 R46 Q48 L52 G53 D56	M29-I50 HydrophobicContact CE-CG1 3.84Å; R46-I50 HydrophobicContact CG-CD1 4.1Å; R46-I50 WeakPolarHBondContact O-CG1 3.24Å; R46-I50 PolarHBondContact O-N 3.21Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; Q48-I50 PolarHBondContact O-N 3.24Å; I50-L52 PolarHBondContact O-N 2.86Å; I50-G53 PolarHBondContact O-N 3.45Å; I50-D56 HydrophobicContact CD1-CB 4.44Å
51	K	97.1	Very high	94.2	Very high	180 Å²	180	68.5 Å²	68.5	78%	0.783	37%	0.367	S	S	*	.	H	α-helix	trans	-63.2	-28.8	176.1	-70.3	174.3	-177.1	-178.3	0	113.2	Q47 Q48 A49 G53	Q47-K51 WeakPolarHBondContact O-CG 3.23Å; Q47-K51 PolarHBondContact O-N 2.69Å; Q47-K51 VanDerWaalsContact O-N 3.14Å; Q48-K51 WeakPolarHBondContact O-CB 3.31Å; Q48-K51 PolarHBondContact O-N 2.72Å; Q48-K51 VanDerWaalsContact O-N 3.16Å; A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.2Å; K51-G53 VanDerWaalsContact C-N 3.28Å
52	L	93	Very high	93.9	Very high	126 Å²	126	68.1 Å²	68.1	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2	176.2	-66.7	171.5	0	0	0	113.3	Q48 A49 I50 Y54	Q48-L52 HydrophobicContact CG-CD1 4.13Å; Q48-L52 WeakPolarHBondContact O-CG 3.47Å; Q48-L52 PolarHBondContact O-N 2.61Å; A49-L52 CarbonylContact O-C 3.48Å; A49-L52 WeakPolarHBondContact O-CA 3.3Å; A49-L52 PolarHBondContact O-N 2.85Å; I50-L52 PolarHBondContact O-N 2.86Å; L52-Y54 HydrophobicContact CB-CD2 4.22Å; L52-Y54 HydrophobicContact CB-CE2 4.44Å
53	G	94.9	Very high	93.7	Very high	59 Å²	59	64.5 Å²	64.5	61%	0.608	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	9.2	176.1	0	0	0	0	0	115.2	A49 I50 K51	A49-G53 PolarHBondContact O-N 2.66Å; A49-G53 VanDerWaalsContact O-N 3.17Å; I50-G53 PolarHBondContact O-N 3.45Å; K51-G53 VanDerWaalsContact C-N 3.28Å
54	Y	95.7	Very high	93.4	Very high	34 Å²	34	60.7 Å²	60.7	13%	0.133	32%	0.322	C	S	.	.			trans	-68.1	139.6	170.2	-73.4	-114.7	0	0	0	110.1	M29 Y30 A31 F38 A49 L52	M29-Y54 HydrophobicContact CB-CD1 4.14Å; Y30-Y54 CarbonylContact O-C 3.51Å; Y30-Y54 VanDerWaalsContact O-CA 3.32Å; Y30-Y54 WeakPolarHBondContact O-CA 3.38Å; A31-Y54 HydrophobicContact CB-CD1 3.58Å; A31-Y54 HydrophobicContact CB-CD2 4.17Å; A31-Y54 HydrophobicContact CB-CE1 3.28Å; A31-Y54 HydrophobicContact CB-CE2 3.92Å; A31-Y54 HydrophobicContact CB-CG 4.01Å; A31-Y54 VanDerWaalsContact CB-CZ 3.47Å; F38-Y54 HydrophobicContact CD1-CD1 4.03Å; F38-Y54 AromaticContact CD1-CE1 3.64Å; F38-Y54 HydrophobicContact CD1-CE1 3.64Å; F38-Y54 AromaticContact CE1-CD1 3.6Å; F38-Y54 HydrophobicContact CE1-CD1 3.6Å; F38-Y54 AromaticContact CE1-CE1 3.47Å; F38-Y54 HydrophobicContact CE1-CE1 3.47Å; F38-Y54 VanDerWaalsContact CE1-CE1 3.47Å; F38-Y54 HydrophobicContact CE1-CG 4.36Å; A49-Y54 HydrophobicContact CB-CD2 4.11Å; A49-Y54 HydrophobicContact CB-CG 3.96Å; A49-Y54 WeakPolarHBondContact O-CB 3.14Å; A49-Y54 WeakPolarHBondContact O-CD2 3.42Å; A49-Y54 PolarHBondContact O-N 3.08Å; L52-Y54 HydrophobicContact CB-CD2 4.22Å; L52-Y54 HydrophobicContact CB-CE2 4.44Å
55	K	97.8	Very high	93.3	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.457	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	168.3	-68.8	173.4	175.4	166.9	0	109	M29 Y30 E32 L57	M29-K55 WeakPolarHBondContact CA-O 3.5Å; Y30-K55 HydrophobicContact CD1-CD 4.37Å; Y30-K55 PolarHBondContact N-O 2.87Å; Y30-K55 PolarHBondContact O-N 3Å; E32-K55 IonicContact OE2-NZ 2.66Å; E32-K55 PolarHBondContact OE2-NZ 3.45Å; K55-L57 HydrophobicContact CB-CD2 4.15Å
56	D	96.1	Very high	93.3	Very high	50 Å²	50	64.2 Å²	64.2	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.3	168.1	-172.8	-14.7	0	0	0	108.8	M29 R46 I50 G58	M29-D56 HydrophobicContact CE-CB 3.87Å; M29-D56 HydrophobicContact SD-CB 4.16Å; R46-D56 IonicContact CZ-OD2 2.69Å; R46-D56 IonicContact NE-OD2 2.66Å; R46-D56 PolarHBondContact NE-OD2 2.77Å; R46-D56 IonicContact NH2-OD2 3.11Å; R46-D56 PolarHBondContact NH2-OD2 3.46Å; I50-D56 HydrophobicContact CD1-CB 4.44Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 WeakPolarHBondContact OD1-CA 3.36Å; D56-G58 PolarHBondContact OD1-N 2.98Å
57	L	95.1	Very high	93.1	Very high	80 Å²	80	66.3 Å²	66.3	42%	0.419	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	3.6	-179.9	-56.2	-172.2	0	0	0	112.7	R28 Y30 K55	R28-L57 HydrophobicContact CB-CB 4.21Å; R28-L57 HydrophobicContact CG-CB 4.19Å; R28-L57 HydrophobicContact CG-CD1 4.2Å; R28-L57 WeakPolarHBondContact O-CB 2.99Å; R28-L57 PolarHBondContact O-N 3.14Å; Y30-L57 HydrophobicContact CG-CD1 4.34Å; K55-L57 HydrophobicContact CB-CD2 4.15Å
58	G	90.8	Very high	92.7	Very high	28 Å²	28	67.3 Å²	67.3	29%	0.289	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.5	-171.1	176.1	0	0	0	0	0	114.1	Y27 R28 D56	Y27-G58 WeakPolarHBondContact CA-O 3.36Å; R28-G58 PolarHBondContact N-O 2.85Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 WeakPolarHBondContact OD1-CA 3.36Å; D56-G58 PolarHBondContact OD1-N 2.98Å
59	I	89.3	Confident	92.5	Very high	103 Å²	103	63.6 Å²	63.6	53%	0.528	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.5	-177.5	-59.6	169.3	0	0	0	108.5	P25 V26 Y27 G61	P25-I59 HydrophobicContact CB-CB 4.39Å; P25-I59 HydrophobicContact CB-CD1 3.65Å; P25-I59 HydrophobicContact CB-CG1 3.83Å; P25-I59 HydrophobicContact CB-CG2 3.66Å; P25-I59 HydrophobicContact CG-CD1 4.4Å; V26-I59 CarbonylContact O-C 3.16Å; V26-I59 VanDerWaalsContact O-CA 3.31Å; V26-I59 WeakPolarHBondContact O-CA 3.48Å; Y27-I59 HydrophobicContact CD1-CG1 3.86Å; Y27-I59 HydrophobicContact CE1-CD1 4.14Å; Y27-I59 HydrophobicContact CE1-CG1 3.78Å; I59-G61 WeakPolarHBondContact CG2-O 2.96Å
60	I	85.7	Confident	92.2	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.072	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	2.2	179.8	64	166	0	0	0	113.5	I12 L14 V26 R28 L39	I12-I60 HydrophobicContact CD1-CD1 3.42Å; I12-I60 VanDerWaalsContact CD1-CD1 3.42Å; I12-I60 HydrophobicContact CD1-CG1 4Å; L14-I60 WeakPolarHBondContact CD2-O 3.33Å; V26-I60 HydrophobicContact CB-CG1 4.27Å; V26-I60 HydrophobicContact CG1-CD1 4.36Å; V26-I60 HydrophobicContact CG1-CG1 3.99Å; V26-I60 PolarHBondContact O-N 2.94Å; R28-I60 HydrophobicContact CB-CD1 4.43Å; R28-I60 HydrophobicContact CB-CG2 3.94Å; L39-I60 HydrophobicContact CD1-CD1 4.05Å; L39-I60 HydrophobicContact CD2-CD1 3.56Å; L39-I60 HydrophobicContact CG-CD1 4.45Å
61	G	85.2	Confident	91.6	Very high	5 Å²	5	69.3 Å²	69.3	5%	0.052	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-156.2	176.7	0	0	0	0	0	111.3	A13 P25 V26 I59	A13-G61 VanDerWaalsContact O-CA 3.29Å; A13-G61 WeakPolarHBondContact O-CA 3.29Å; P25-G61 WeakPolarHBondContact CA-O 3.26Å; V26-G61 PolarHBondContact N-O 3.16Å; I59-G61 WeakPolarHBondContact CG2-O 2.96Å
62	S	87.2	Confident	91.2	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.007	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156	176.4	73.7	0	0	0	0	112.7	A13 T16 N17 K24 W114	A13-S62 PolarHBondContact O-N 3.31Å; A13-S62 VanDerWaalsContact O-N 3.08Å; T16-S62 WeakPolarHBondContact CA-OG 3.44Å; N17-S62 PolarHBondContact N-OG 3.42Å; K24-S62 VanDerWaalsContact O-CA 3.25Å; K24-S62 WeakPolarHBondContact O-CA 3.47Å; S62-W114 WeakPolarHBondContact O-CZ3 3.46Å
63	A	90.5	Very high	90.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	169.3	173.7	0	0	0	0	0	109.6	K24 V26 I41 F111 W112 M113	K24-A63 PolarHBondContact N-O 2.82Å; K24-A63 PolarHBondContact O-N 2.69Å; V26-A63 HydrophobicContact CG2-CB 3.51Å; I41-A63 HydrophobicContact CG2-CB 3.92Å; A63-F111 HydrophobicContact CB-CB 3.97Å; A63-F111 HydrophobicContact CB-CD2 3.28Å; A63-F111 HydrophobicContact CB-CE2 3.84Å; A63-F111 HydrophobicContact CB-CG 3.75Å; A63-W112 VanDerWaalsContact CB-O 3.32Å; A63-W112 WeakPolarHBondContact CB-O 3.45Å; A63-M113 HydrophobicContact CB-CG 4.38Å
64	V	91	Very high	90.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-116	159.6	179.2	-61.6	0	0	0	0	111.4	L22 R66 D69 A72 F111 W112 W114	L22-V64 HydrophobicContact CB-CG1 4.44Å; V64-R66 WeakPolarHBondContact CG2-O 3.28Å; V64-D69 HydrophobicContact CB-CB 3.71Å; V64-D69 HydrophobicContact CG1-CB 4.06Å; V64-D69 HydrophobicContact CG2-CB 3.72Å; V64-D69 WeakPolarHBondContact CG2-O 3.36Å; V64-A72 HydrophobicContact CG2-CB 3.25Å; V64-F111 WeakPolarHBondContact O-CB 3.41Å; V64-W112 HydrophobicContact CG2-CB 3.91Å; V64-W112 PolarHBondContact N-O 3.27Å; V64-W112 PolarHBondContact O-N 2.94Å; V64-W114 HydrophobicContact CG1-CH2 4.09Å; V64-W114 HydrophobicContact CG1-CZ2 3.93Å
65	A	93.4	Very high	90.3	Very high	49 Å²	49	54.7 Å²	54.7	41%	0.405	28%	0.282	S	S	.	.	S	Bend	trans	-81	-23.5	-173.9	0	0	0	0	0	113.6	I41	I41-A65 HydrophobicContact CD1-CB 4.06Å
66	R	93.4	Very high	90	Very high	178 Å²	178	49.7 Å²	49.7	67%	0.672	26%	0.26	S	S	*	.	S	Bend	trans	-130.4	150.1	-173.2	-55.1	175.5	175.4	174.8	-1.3	110.8	V64 N68 D69	V64-R66 WeakPolarHBondContact CG2-O 3.28Å; R66-N68 PolarHBondContact O-N 3.08Å; R66-D69 WeakPolarHBondContact CB-OD2 3.49Å; R66-D69 WeakPolarHBondContact O-CB 3.31Å; R66-D69 PolarHBondContact O-N 3.3Å
67	K	93.1	Very high	89.6	Confident	107 Å²	107	49.3 Å²	49.3	47%	0.465	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	138.7	171.2	-166.1	174.7	-172.6	162.5	0	109.8	D69 W112	K67-D69 PolarHBondContact O-N 2.92Å; K67-W112 HydrophobicContact CB-CD2 3.76Å; K67-W112 HydrophobicContact CB-CE3 3.85Å; K67-W112 HydrophobicContact CB-CG 4.5Å; K67-W112 HydrophobicContact CB-CH2 3.78Å; K67-W112 HydrophobicContact CB-CZ2 3.64Å; K67-W112 HydrophobicContact CB-CZ3 3.87Å; K67-W112 HydrophobicContact CD-CE3 4.28Å; K67-W112 HydrophobicContact CD-CH2 3.56Å; K67-W112 HydrophobicContact CD-CZ2 4.26Å; K67-W112 HydrophobicContact CD-CZ3 3.56Å; K67-W112 HydrophobicContact CG-CD2 4.17Å; K67-W112 HydrophobicContact CG-CE3 3.72Å; K67-W112 HydrophobicContact CG-CH2 3.79Å; K67-W112 HydrophobicContact CG-CZ2 4.19Å; K67-W112 HydrophobicContact CG-CZ3 3.52Å; K67-W112 VanDerWaalsContact N-CD1 3.35Å
68	N	91	Very high	89.4	Confident	106 Å²	106	45.7 Å²	45.7	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	0.4	179.6	-50.3	-34.2	0	0	0	115.6	R66 C70 E71 A72	R66-N68 PolarHBondContact O-N 3.08Å; N68-C70 PolarHBondContact O-N 3.36Å; N68-C70 VanDerWaalsContact O-N 3.1Å; N68-E71 PolarHBondContact O-N 2.69Å; N68-A72 WeakPolarHBondContact CA-O 3.24Å; N68-A72 PolarHBondContact N-O 3.08Å
69	D	90.3	Very high	89.2	Confident	39 Å²	39	44.5 Å²	44.5	21%	0.209	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61.2	118.8	166	-78.5	-7.9	0	0	0	107.2	L22 V64 R66 K67 E71 A72	L22-D69 HydrophobicContact CB-CB 4.49Å; L22-D69 HydrophobicContact CD1-CB 3.87Å; V64-D69 HydrophobicContact CB-CB 3.71Å; V64-D69 HydrophobicContact CG1-CB 4.06Å; V64-D69 HydrophobicContact CG2-CB 3.72Å; V64-D69 WeakPolarHBondContact CG2-O 3.36Å; R66-D69 WeakPolarHBondContact CB-OD2 3.49Å; R66-D69 WeakPolarHBondContact O-CB 3.31Å; R66-D69 PolarHBondContact O-N 3.3Å; K67-D69 PolarHBondContact O-N 2.92Å; D69-E71 PolarHBondContact O-N 3.31Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-A72 WeakPolarHBondContact O-CB 3.19Å; D69-A72 PolarHBondContact O-N 2.8Å; D69-A72 VanDerWaalsContact O-N 3.12Å
70	C	87.7	Confident	89	Confident	42 Å²	42	41.3 Å²	41.3	28%	0.284	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	52.3	35.9	-175.9	-52.7	0	0	0	0	113.5	C20 N68 A72 W114	C20-C70 HydrophobicContact CB-CB 3.67Å; C20-C70 WeakPolarHBondContact CB-SG 3.47Å; C20-C70 WeakPolarHBondContact SG-CB 3.36Å; C20-C70 CovalentContact SG-SG 2.01Å; C20-C70 PolarHBondContact SG-SG 2.88Å; N68-C70 PolarHBondContact O-N 3.36Å; N68-C70 VanDerWaalsContact O-N 3.1Å; C70-A72 PolarHBondContact O-N 3.38Å; C70-W114 HydrophobicContact CB-CZ2 4.22Å; C70-W114 PolarHBondContact O-NE1 3.12Å
71	E	86.1	Confident	88.9	Confident	150 Å²	150	43.1 Å²	43.1	70%	0.701	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	69.8	12.2	178.3	-52.8	173.6	-170.6	0	0	115	N68 D69 T73	N68-E71 PolarHBondContact O-N 2.69Å; D69-E71 PolarHBondContact O-N 3.31Å; D69-E71 VanDerWaalsContact O-N 3.16Å; E71-T73 PolarHBondContact O-N 2.89Å
72	A	87	Confident	88.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.			trans	-68	121.7	174.5	0	0	0	0	0	111.7	V64 N68 D69 C70 W112 M113 W114	V64-A72 HydrophobicContact CG2-CB 3.25Å; N68-A72 WeakPolarHBondContact CA-O 3.24Å; N68-A72 PolarHBondContact N-O 3.08Å; D69-A72 WeakPolarHBondContact O-CB 3.19Å; D69-A72 PolarHBondContact O-N 2.8Å; D69-A72 VanDerWaalsContact O-N 3.12Å; C70-A72 PolarHBondContact O-N 3.38Å; A72-W112 HydrophobicContact CB-CB 3.93Å; A72-M113 CarbonylContact C-O 3.6Å; A72-M113 VanDerWaalsContact CA-O 3.26Å; A72-M113 WeakPolarHBondContact CA-O 3.42Å; A72-M113 WeakPolarHBondContact CB-O 3.45Å; A72-W114 HydrophobicContact CB-CD2 4.38Å; A72-W114 HydrophobicContact CB-CZ2 4.45Å
73	T	87.6	Confident	88.4	Confident	58 Å²	58	54.6 Å²	54.6	36%	0.356	27%	0.272	S	S	.	.			trans	-119.6	-14.9	-175.1	53.7	0	0	0	0	114.2	E71 P75 W112 M113	E71-T73 PolarHBondContact O-N 2.89Å; T73-P75 WeakPolarHBondContact O-CD 3.38Å; T73-W112 WeakPolarHBondContact O-CZ3 3.48Å; T73-M113 PolarHBondContact N-O 3.27Å
74	I	87.9	Confident	87.9	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.8	-174.4	-58.5	-172.3	0	0	0	110.5	E90 W112 M113 D115	I74-E90 HydrophobicContact CG2-CG 4.34Å; I74-W112 CarbonylContact O-C 3.38Å; I74-W112 VanDerWaalsContact O-CA 3.25Å; I74-W112 WeakPolarHBondContact O-CA 3.39Å; I74-M113 HydrophobicContact CB-CB 4.29Å; I74-M113 HydrophobicContact CG2-CE 3.97Å; I74-M113 PolarHBondContact N-O 2.77Å; I74-M113 PolarHBondContact O-N 3.49Å; I74-D115 HydrophobicContact CD1-CB 3.98Å
75	P	91	Very high	87.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.2	177.1	32	-31.5	0	0	0	111.9	T73 Y77 E91 I109 W112	T73-P75 WeakPolarHBondContact O-CD 3.38Å; P75-Y77 HydrophobicContact CB-CE2 4.11Å; P75-Y77 HydrophobicContact CG-CD2 4.42Å; P75-Y77 HydrophobicContact CG-CE2 3.6Å; P75-E91 HydrophobicContact CG-CB 3.96Å; P75-I109 HydrophobicContact CB-CD1 3.89Å; P75-I109 HydrophobicContact CB-CG1 4.13Å; P75-I109 HydrophobicContact CB-CG2 3.88Å; P75-W112 HydrophobicContact CB-CD2 4.12Å; P75-W112 HydrophobicContact CB-CE3 3.77Å; P75-W112 HydrophobicContact CB-CH2 3.8Å; P75-W112 HydrophobicContact CB-CZ2 4.18Å; P75-W112 HydrophobicContact CB-CZ3 3.59Å; P75-W112 HydrophobicContact CG-CE3 4.3Å; P75-W112 HydrophobicContact CG-CH2 4.13Å; P75-W112 HydrophobicContact CG-CZ3 3.78Å
76	L	90	Very high	87.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	104.6	163.5	-171	71.8	0	0	0	109.9	I9 L39 Q88 E90 S110 F111 M113	I9-L76 HydrophobicContact CB-CD1 4.43Å; I9-L76 HydrophobicContact CG1-CD1 4.28Å; I9-L76 HydrophobicContact CG2-CD1 3.71Å; I9-L76 HydrophobicContact CG2-CD2 4.11Å; L39-L76 HydrophobicContact CB-CD2 4.35Å; L39-L76 HydrophobicContact CD1-CD2 4.21Å; L76-Q88 HydrophobicContact CD1-CB 4.09Å; L76-Q88 HydrophobicContact CD2-CB 4Å; L76-Q88 HydrophobicContact CD2-CG 4.31Å; L76-Q88 HydrophobicContact CG-CB 4Å; L76-E90 HydrophobicContact CD1-CG 4.41Å; L76-S110 WeakPolarHBondContact O-CB 3.03Å; L76-S110 PolarHBondContact O-N 3.32Å; L76-S110 PolarHBondContact O-OG 3.09Å; L76-F111 HydrophobicContact CB-CD2 4.18Å; L76-F111 HydrophobicContact CB-CE2 4Å; L76-F111 HydrophobicContact CB-CZ 4.38Å; L76-F111 HydrophobicContact CD2-CE1 3.81Å; L76-F111 HydrophobicContact CD2-CE2 3.7Å; L76-F111 HydrophobicContact CD2-CZ 3.28Å; L76-F111 HydrophobicContact CG-CE2 4.5Å; L76-F111 HydrophobicContact CG-CZ 4.45Å; L76-F111 PolarHBondContact N-O 2.91Å; L76-M113 HydrophobicContact CB-CE 4.34Å; L76-M113 HydrophobicContact CD1-CE 4.48Å
77	Y	89.2	Confident	86.9	Confident	43 Å²	43	51.1 Å²	51.1	17%	0.169	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	147.3	174.8	-65.2	-79.6	0	0	0	111.1	P75 Q88 L89 E91 I109	P75-Y77 HydrophobicContact CB-CE2 4.11Å; P75-Y77 HydrophobicContact CG-CD2 4.42Å; P75-Y77 HydrophobicContact CG-CE2 3.6Å; Y77-Q88 WeakPolarHBondContact O-CA 3.25Å; Y77-L89 WeakPolarHBondContact CB-O 3.04Å; Y77-L89 PolarHBondContact N-O 3.07Å; Y77-L89 PolarHBondContact O-N 3.24Å; Y77-L89 VanDerWaalsContact O-N 3.08Å; Y77-E91 HydrophobicContact CE2-CB 3.98Å; Y77-E91 HydrophobicContact CE2-CG 4.27Å; Y77-I109 HydrophobicContact CD1-CG1 3.76Å; Y77-I109 HydrophobicContact CE1-CD1 3.99Å; Y77-I109 HydrophobicContact CE1-CG1 3.57Å
78	A	89.4	Confident	86.7	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.6	168.9	0	0	0	0	0	110.8	I86 Q88 N107 G108 S110	A78-I86 HydrophobicContact CB-CG2 4.28Å; A78-Q88 HydrophobicContact CB-CG 4.05Å; A78-N107 HydrophobicContact CB-CB 4.2Å; A78-N107 WeakPolarHBondContact O-CA 3.41Å; A78-N107 WeakPolarHBondContact O-CB 3.3Å; A78-N107 PolarHBondContact O-N 3.27Å; A78-G108 PolarHBondContact N-O 2.99Å; A78-S110 WeakPolarHBondContact CB-OG 3.36Å
79	F	86.5	Confident	86.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.6	178	-60.8	-87.6	0	0	0	108.5	I86 I87 L89 S95 M98 Q99 Y104	F79-I86 WeakPolarHBondContact O-CA 3.35Å; F79-I87 PolarHBondContact N-O 3.02Å; F79-I87 PolarHBondContact O-N 3.4Å; F79-L89 HydrophobicContact CE2-CB 4.46Å; F79-L89 HydrophobicContact CE2-CD1 4.4Å; F79-S95 WeakPolarHBondContact CZ-O 3.37Å; F79-M98 HydrophobicContact CB-CE 3.22Å; F79-M98 HydrophobicContact CD1-CB 3.95Å; F79-M98 HydrophobicContact CD1-CE 4.22Å; F79-M98 HydrophobicContact CD2-CB 4.2Å; F79-M98 HydrophobicContact CD2-CE 3.38Å; F79-M98 HydrophobicContact CD2-SD 4.27Å; F79-M98 HydrophobicContact CE1-CB 3.82Å; F79-M98 HydrophobicContact CE2-CB 4.07Å; F79-M98 HydrophobicContact CE2-CE 4.25Å; F79-M98 HydrophobicContact CG-CB 4.14Å; F79-M98 HydrophobicContact CG-CE 3.36Å; F79-M98 HydrophobicContact CZ-CB 3.88Å; F79-Q99 HydrophobicContact CE1-CG 3.77Å; F79-Q99 HydrophobicContact CZ-CG 3.98Å; F79-Y104 HydrophobicContact CB-CD1 4.08Å; F79-Y104 HydrophobicContact CB-CG 4.38Å
80	V	85.7	Confident	86.2	Confident	37 Å²	37	43.6 Å²	43.6	22%	0.224	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118	-175.9	-176.7	0	0	0	0	108.7	I86 Y104 N105 N107	V80-I86 HydrophobicContact CG2-CG1 4.26Å; V80-Y104 WeakPolarHBondContact O-CA 2.97Å; V80-N105 PolarHBondContact N-O 2.69Å; V80-N105 PolarHBondContact O-N 3.29Å; V80-N107 HydrophobicContact CG2-CB 3.76Å
81	K	83.4	Confident	86	Confident	52 Å²	52	47.7 Å²	47.7	23%	0.226	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	153.3	173.7	-163.8	172.6	160.9	-162	0	110	T83 G84 E85 Y104	K81-T83 WeakPolarHBondContact CD-OG1 3.49Å; K81-T83 VanDerWaalsContact CE-OG1 3.24Å; K81-T83 WeakPolarHBondContact CE-OG1 3.47Å; K81-T83 WeakPolarHBondContact CG-OG1 3.47Å; K81-T83 PolarHBondContact O-N 2.9Å; K81-T83 VanDerWaalsContact O-N 3.09Å; K81-G84 PolarHBondContact O-N 3.3Å; K81-E85 HydrophobicContact CB-CB 4.33Å; K81-E85 WeakPolarHBondContact CB-O 3.36Å; K81-E85 PolarHBondContact N-O 2.84Å; K81-E85 IonicContact NZ-OE1 2.81Å; K81-E85 PolarHBondContact NZ-OE1 3.47Å; K81-Y104 HydrophobicContact CB-CD1 3.88Å; K81-Y104 HydrophobicContact CB-CE1 3.6Å; K81-Y104 HydrophobicContact CD-CE1 4.09Å; K81-Y104 HydrophobicContact CG-CD1 4.4Å; K81-Y104 HydrophobicContact CG-CE1 3.94Å
82	K	80	Confident	85.9	Confident	159 Å²	159	42.1 Å²	42.1	69%	0.691	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.4	176.5	-68.2	-177.4	-179.3	176	0	114.2	G84 M103	K82-G84 VanDerWaalsContact C-N 3.29Å; K82-M103 PolarHBondContact N-O 3.32Å
83	T	82.1	Confident	85.6	Confident	87 Å²	87	50.1 Å²	50.1	53%	0.534	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.2	177.8	34.5	0	0	0	0	113.5	K81 E85	K81-T83 WeakPolarHBondContact CD-OG1 3.49Å; K81-T83 VanDerWaalsContact CE-OG1 3.24Å; K81-T83 WeakPolarHBondContact CE-OG1 3.47Å; K81-T83 WeakPolarHBondContact CG-OG1 3.47Å; K81-T83 PolarHBondContact O-N 2.9Å; K81-T83 VanDerWaalsContact O-N 3.09Å; T83-E85 WeakPolarHBondContact CB-OE2 3.24Å; T83-E85 PolarHBondContact OG1-OE1 3.46Å; T83-E85 PolarHBondContact OG1-OE2 3.33Å
84	G	80.7	Confident	85.4	Confident	27 Å²	27	52.8 Å²	52.8	28%	0.278	27%	0.274	S	S	.	.	S	Bend	trans	104.1	-12.2	174.6	0	0	0	0	0	114.8	K81 K82	K81-G84 PolarHBondContact O-N 3.3Å; K82-G84 VanDerWaalsContact C-N 3.29Å
85	E	84.4	Confident	85.2	Confident	41 Å²	41	51.3 Å²	51.3	19%	0.192	27%	0.266	C	S	.	.			trans	-60.2	139.4	173.8	-56.9	96.7	117.6	0	0	110.3	L34 K81 T83	L34-E85 HydrophobicContact CB-CG 4.38Å; K81-E85 HydrophobicContact CB-CB 4.33Å; K81-E85 WeakPolarHBondContact CB-O 3.36Å; K81-E85 PolarHBondContact N-O 2.84Å; K81-E85 IonicContact NZ-OE1 2.81Å; K81-E85 PolarHBondContact NZ-OE1 3.47Å; T83-E85 WeakPolarHBondContact CB-OE2 3.24Å; T83-E85 PolarHBondContact OG1-OE1 3.46Å; T83-E85 PolarHBondContact OG1-OE2 3.33Å
86	I	86.4	Confident	84.7	Confident	32 Å²	32	57.4 Å²	57.4	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.2	176	-55.5	179.3	0	0	0	107	F38 A78 F79 V80 Q88	F38-I86 HydrophobicContact CB-CB 3.87Å; F38-I86 HydrophobicContact CB-CD1 3.96Å; F38-I86 HydrophobicContact CB-CG1 4.46Å; F38-I86 HydrophobicContact CB-CG2 3.87Å; F38-I86 HydrophobicContact CD1-CD1 3.77Å; F38-I86 HydrophobicContact CD2-CD1 4.28Å; F38-I86 HydrophobicContact CE1-CD1 4.31Å; F38-I86 HydrophobicContact CG-CD1 3.74Å; A78-I86 HydrophobicContact CB-CG2 4.28Å; F79-I86 WeakPolarHBondContact O-CA 3.35Å; V80-I86 HydrophobicContact CG2-CG1 4.26Å; I86-Q88 HydrophobicContact CG2-CG 4.08Å
87	I	85.5	Confident	84.3	Confident	54 Å²	54	60.4 Å²	60.4	28%	0.277	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.7	169.3	-61.1	-175.4	0	0	0	107.4	F79 L89 M98 Y104	F79-I87 PolarHBondContact N-O 3.02Å; F79-I87 PolarHBondContact O-N 3.4Å; I87-L89 HydrophobicContact CG2-CD2 4.35Å; I87-L89 HydrophobicContact CG2-CG 4.08Å; I87-M98 HydrophobicContact CB-CE 3.45Å; I87-M98 VanDerWaalsContact CB-CE 3.45Å; I87-M98 HydrophobicContact CB-SD 4.43Å; I87-M98 HydrophobicContact CD1-CE 4.03Å; I87-M98 HydrophobicContact CG1-CE 4.26Å; I87-M98 HydrophobicContact CG2-CE 3.4Å; I87-M98 HydrophobicContact CG2-SD 3.76Å; I87-Y104 HydrophobicContact CD1-CD1 4.48Å; I87-Y104 HydrophobicContact CD1-CE1 3.43Å; I87-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I87-Y104 VanDerWaalsContact CD1-OH 3.25Å; I87-Y104 WeakPolarHBondContact CD1-OH 3.42Å; I87-Y104 HydrophobicContact CG1-CE1 3.92Å
88	Q	89.3	Confident	83.9	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.9	177.6	-73.5	172.6	-58.6	0	0	110.5	I9 F38 L39 L76 Y77 A78 I86 S110	I9-Q88 HydrophobicContact CD1-CB 4.43Å; F38-Q88 VanDerWaalsContact CA-OE1 3.29Å; L39-Q88 PolarHBondContact O-NE2 3.47Å; L76-Q88 HydrophobicContact CD1-CB 4.09Å; L76-Q88 HydrophobicContact CD2-CB 4Å; L76-Q88 HydrophobicContact CD2-CG 4.31Å; L76-Q88 HydrophobicContact CG-CB 4Å; Y77-Q88 WeakPolarHBondContact O-CA 3.25Å; A78-Q88 HydrophobicContact CB-CG 4.05Å; I86-Q88 HydrophobicContact CG2-CG 4.08Å; Q88-S110 PolarHBondContact NE2-OG 2.86Å
89	L	85.3	Confident	83.3	Confident	29 Å²	29	64.3 Å²	64.3	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.5	-175	-64.7	178.3	0	0	0	110.1	Y77 F79 I87 D94 M98	Y77-L89 WeakPolarHBondContact CB-O 3.04Å; Y77-L89 PolarHBondContact N-O 3.07Å; Y77-L89 PolarHBondContact O-N 3.24Å; Y77-L89 VanDerWaalsContact O-N 3.08Å; F79-L89 HydrophobicContact CE2-CB 4.46Å; F79-L89 HydrophobicContact CE2-CD1 4.4Å; I87-L89 HydrophobicContact CG2-CD2 4.35Å; I87-L89 HydrophobicContact CG2-CG 4.08Å; L89-D94 HydrophobicContact CD1-CB 3.72Å; L89-M98 HydrophobicContact CD1-CE 4.37Å; L89-M98 HydrophobicContact CD1-CG 4.33Å; L89-M98 HydrophobicContact CD1-SD 3.24Å; L89-M98 WeakPolarHBondContact CD1-SD 3.32Å; L89-M98 HydrophobicContact CG-SD 4.17Å
90	E	84.9	Confident	82.8	Confident	50 Å²	50	68.4 Å²	68.4	23%	0.234	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	171.1	166.9	-62.2	-164.1	147.7	0	0	111.9	G10 I74 L76 G92 S95 M113	G10-E90 WeakPolarHBondContact CA-OE1 3.03Å; G10-E90 PolarHBondContact N-OE1 3.3Å; I74-E90 HydrophobicContact CG2-CG 4.34Å; L76-E90 HydrophobicContact CD1-CG 4.41Å; E90-G92 PolarHBondContact O-N 3.14Å; E90-S95 WeakPolarHBondContact O-CB 3.31Å; E90-S95 PolarHBondContact O-OG 3.33Å; E90-M113 HydrophobicContact CG-CE 4.07Å; E90-M113 WeakPolarHBondContact OE1-CE 3.35Å
91	E	83.3	Confident	82.3	Confident	128 Å²	128	69.1 Å²	69.1	60%	0.598	38%	0.377	S	S	*	.	S	Bend	trans	-61.5	124.1	170.1	-166.4	166.1	-168.9	0	0	110.5	P75 Y77	P75-E91 HydrophobicContact CG-CB 3.96Å; Y77-E91 HydrophobicContact CE2-CB 3.98Å; Y77-E91 HydrophobicContact CE2-CG 4.27Å
92	G	83.6	Confident	81.4	Confident	32 Å²	32	75.4 Å²	75.4	33%	0.33	40%	0.401	S	S	.	.	S	Bend	trans	169.4	-173.3	-176.7	0	0	0	0	0	113.1	E90 D94 S95 M96	E90-G92 PolarHBondContact O-N 3.14Å; G92-D94 VanDerWaalsContact C-N 3.32Å; G92-D94 PolarHBondContact O-N 2.73Å; G92-S95 PolarHBondContact N-OG 2.89Å; G92-S95 PolarHBondContact O-N 2.86Å; G92-S95 PolarHBondContact O-OG 3.27Å; G92-S95 VanDerWaalsContact O-OG 3.1Å; G92-M96 WeakPolarHBondContact O-CG 3.25Å; G92-M96 PolarHBondContact O-N 3.45Å
93	Q	81.9	Confident	80.8	Confident	168 Å²	168	71.7 Å²	71.7	79%	0.785	39%	0.387	S	S	*	.	H	α-helix	trans	-61.6	-38.7	-177.8	-68.9	-175.9	-4.9	0	0	112.5	M96 A97	Q93-M96 PolarHBondContact O-N 2.99Å; Q93-A97 WeakPolarHBondContact O-CB 3.31Å; Q93-A97 PolarHBondContact O-N 3Å
94	D	82.6	Confident	80.3	Confident	114 Å²	114	69.4 Å²	69.4	61%	0.61	37%	0.369	S	S	*	.	H	α-helix	trans	-67.4	-40.9	-179.6	-68.1	-16.3	0	0	0	111.9	L89 G92 A97 M98	L89-D94 HydrophobicContact CD1-CB 3.72Å; G92-D94 VanDerWaalsContact C-N 3.32Å; G92-D94 PolarHBondContact O-N 2.73Å; D94-A97 PolarHBondContact O-N 2.9Å; D94-M98 PolarHBondContact O-N 3.1Å
95	S	83.2	Confident	80.1	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.014	38%	0.38	C	S	.	.	H	α-helix	trans	-72.7	-33.2	177.4	58.1	0	0	0	0	111.9	F79 E90 G92 M98 Q99	F79-S95 WeakPolarHBondContact CZ-O 3.37Å; E90-S95 WeakPolarHBondContact O-CB 3.31Å; E90-S95 PolarHBondContact O-OG 3.33Å; G92-S95 PolarHBondContact N-OG 2.89Å; G92-S95 PolarHBondContact O-N 2.86Å; G92-S95 PolarHBondContact O-OG 3.27Å; G92-S95 VanDerWaalsContact O-OG 3.1Å; S95-M98 PolarHBondContact O-N 3.04Å; S95-Q99 VanDerWaalsContact O-CG 3.3Å; S95-Q99 WeakPolarHBondContact O-CG 3.32Å; S95-Q99 PolarHBondContact O-N 2.74Å
96	M	81.9	Confident	79.6	Confident	129 Å²	129	74.9 Å²	74.9	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-62.5	-43.5	168.1	-72.1	178.1	62.1	0	0	112	G92 Q93 Q99 A100	G92-M96 WeakPolarHBondContact O-CG 3.25Å; G92-M96 PolarHBondContact O-N 3.45Å; Q93-M96 PolarHBondContact O-N 2.99Å; M96-Q99 PolarHBondContact O-N 2.83Å; M96-A100 PolarHBondContact O-N 2.75Å
97	A	82	Confident	79.4	Confident	62 Å²	62	78.6 Å²	78.6	51%	0.512	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-41.8	177.7	0	0	0	0	0	111.3	Q93 D94 Q99 A100 D101	Q93-A97 WeakPolarHBondContact O-CB 3.31Å; Q93-A97 PolarHBondContact O-N 3Å; D94-A97 PolarHBondContact O-N 2.9Å; A97-Q99 VanDerWaalsContact C-N 3.35Å; A97-Q99 PolarHBondContact O-N 3.15Å; A97-A100 WeakPolarHBondContact O-CB 3.5Å; A97-A100 PolarHBondContact O-N 2.88Å; A97-A100 VanDerWaalsContact O-N 3.07Å; A97-D101 PolarHBondContact O-N 2.99Å
98	M	79.7	Confident	79.3	Confident	23 Å²	23	77.9 Å²	77.9	11%	0.113	42%	0.423	C	S	.	.	H	α-helix	trans	-69.2	-28.2	177	-85.9	173.6	69.4	0	0	113.9	F79 I87 L89 D94 S95 A100 D101 Y104	F79-M98 HydrophobicContact CB-CE 3.22Å; F79-M98 HydrophobicContact CD1-CB 3.95Å; F79-M98 HydrophobicContact CD1-CE 4.22Å; F79-M98 HydrophobicContact CD2-CB 4.2Å; F79-M98 HydrophobicContact CD2-CE 3.38Å; F79-M98 HydrophobicContact CD2-SD 4.27Å; F79-M98 HydrophobicContact CE1-CB 3.82Å; F79-M98 HydrophobicContact CE2-CB 4.07Å; F79-M98 HydrophobicContact CE2-CE 4.25Å; F79-M98 HydrophobicContact CG-CB 4.14Å; F79-M98 HydrophobicContact CG-CE 3.36Å; F79-M98 HydrophobicContact CZ-CB 3.88Å; I87-M98 HydrophobicContact CB-CE 3.45Å; I87-M98 VanDerWaalsContact CB-CE 3.45Å; I87-M98 HydrophobicContact CB-SD 4.43Å; I87-M98 HydrophobicContact CD1-CE 4.03Å; I87-M98 HydrophobicContact CG1-CE 4.26Å; I87-M98 HydrophobicContact CG2-CE 3.4Å; I87-M98 HydrophobicContact CG2-SD 3.76Å; L89-M98 HydrophobicContact CD1-CE 4.37Å; L89-M98 HydrophobicContact CD1-CG 4.33Å; L89-M98 HydrophobicContact CD1-SD 3.24Å; L89-M98 WeakPolarHBondContact CD1-SD 3.32Å; L89-M98 HydrophobicContact CG-SD 4.17Å; D94-M98 PolarHBondContact O-N 3.1Å; S95-M98 PolarHBondContact O-N 3.04Å; M98-A100 PolarHBondContact O-N 3.07Å; M98-D101 PolarHBondContact O-N 3.35Å; M98-D101 VanDerWaalsContact O-N 3.14Å; M98-Y104 HydrophobicContact CE-CD1 4.02Å; M98-Y104 HydrophobicContact CE-CE1 4.23Å; M98-Y104 HydrophobicContact CE-CG 4.22Å
99	Q	77.1	Confident	79.3	Confident	107 Å²	107	80.3 Å²	80.3	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-27.1	169.8	-74.2	173	35.8	0	0	112.4	F79 S95 M96 A97	F79-Q99 HydrophobicContact CE1-CG 3.77Å; F79-Q99 HydrophobicContact CZ-CG 3.98Å; S95-Q99 VanDerWaalsContact O-CG 3.3Å; S95-Q99 WeakPolarHBondContact O-CG 3.32Å; S95-Q99 PolarHBondContact O-N 2.74Å; M96-Q99 PolarHBondContact O-N 2.83Å; A97-Q99 VanDerWaalsContact C-N 3.35Å; A97-Q99 PolarHBondContact O-N 3.15Å
100	A	76.1	Confident	79.6	Confident	87 Å²	87	80.5 Å²	80.5	72%	0.719	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.9	175.5	0	0	0	0	0	113.5	M96 A97 M98	M96-A100 PolarHBondContact O-N 2.75Å; A97-A100 WeakPolarHBondContact O-CB 3.5Å; A97-A100 PolarHBondContact O-N 2.88Å; A97-A100 VanDerWaalsContact O-N 3.07Å; M98-A100 PolarHBondContact O-N 3.07Å
101	D	75	Confident	80	Confident	52 Å²	52	78.1 Å²	78.1	28%	0.278	43%	0.429	S	S	.	.			trans	-87.5	115.7	-176.9	-169.6	-20.9	0	0	0	112	A97 M98 M103 Y104	A97-D101 PolarHBondContact O-N 2.99Å; M98-D101 PolarHBondContact O-N 3.35Å; M98-D101 VanDerWaalsContact O-N 3.14Å; D101-M103 PolarHBondContact O-N 3.5Å; D101-M103 WeakPolarHBondContact OD1-CB 3.27Å; D101-M103 PolarHBondContact OD1-N 3.41Å; D101-Y104 HydrophobicContact CB-CD2 4.17Å; D101-Y104 PolarHBondContact O-N 3.06Å
102	Y	63.6	Low	80.4	Confident	185 Å²	185	73.6 Å²	73.6	73%	0.725	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11.4	-179.4	72.1	-85.5	0	0	0	114.7	Y104	Y102-Y104 VanDerWaalsContact C-N 3.26Å
103	M	69	Low	80.6	Confident	80 Å²	80	72.2 Å²	72.2	39%	0.394	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.7	175.6	-66.7	-168.4	60.6	0	0	112.7	K82 D101	K82-M103 PolarHBondContact N-O 3.32Å; D101-M103 PolarHBondContact O-N 3.5Å; D101-M103 WeakPolarHBondContact OD1-CB 3.27Å; D101-M103 PolarHBondContact OD1-N 3.41Å
104	Y	71.6	Confident	80.6	Confident	39 Å²	39	65.9 Å²	65.9	15%	0.153	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	-176.2	-65.4	-90.6	0	0	0	110.7	F79 V80 K81 I87 M98 D101 Y102	F79-Y104 HydrophobicContact CB-CD1 4.08Å; F79-Y104 HydrophobicContact CB-CG 4.38Å; V80-Y104 WeakPolarHBondContact O-CA 2.97Å; K81-Y104 HydrophobicContact CB-CD1 3.88Å; K81-Y104 HydrophobicContact CB-CE1 3.6Å; K81-Y104 HydrophobicContact CD-CE1 4.09Å; K81-Y104 HydrophobicContact CG-CD1 4.4Å; K81-Y104 HydrophobicContact CG-CE1 3.94Å; I87-Y104 HydrophobicContact CD1-CD1 4.48Å; I87-Y104 HydrophobicContact CD1-CE1 3.43Å; I87-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I87-Y104 VanDerWaalsContact CD1-OH 3.25Å; I87-Y104 WeakPolarHBondContact CD1-OH 3.42Å; I87-Y104 HydrophobicContact CG1-CE1 3.92Å; M98-Y104 HydrophobicContact CE-CD1 4.02Å; M98-Y104 HydrophobicContact CE-CE1 4.23Å; M98-Y104 HydrophobicContact CE-CG 4.22Å; D101-Y104 HydrophobicContact CB-CD2 4.17Å; D101-Y104 PolarHBondContact O-N 3.06Å; Y102-Y104 VanDerWaalsContact C-N 3.26Å
105	N	75.7	Confident	80.2	Confident	97 Å²	97	63.5 Å²	63.5	52%	0.519	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.2	167.8	-66.9	-41	0	0	0	108.2	V80 N107	V80-N105 PolarHBondContact N-O 2.69Å; V80-N105 PolarHBondContact O-N 3.29Å; N105-N107 PolarHBondContact O-N 2.01Å
106	P	74.4	Confident	79.2	Confident	87 Å²	87	68.8 Å²	68.8	57%	0.565	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	124.9	168.6	-22.5	33	0	0	0	109.6
107	N	80.9	Confident	77.6	Confident	110 Å²	110	70.7 Å²	70.7	59%	0.588	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	13.5	176.5	-164.3	40.8	0	0	0	111.9	A78 V80 N105	A78-N107 HydrophobicContact CB-CB 4.2Å; A78-N107 WeakPolarHBondContact O-CA 3.41Å; A78-N107 WeakPolarHBondContact O-CB 3.3Å; A78-N107 PolarHBondContact O-N 3.27Å; V80-N107 HydrophobicContact CG2-CB 3.76Å; N105-N107 PolarHBondContact O-N 2.01Å
108	G	84.9	Confident	75.7	Confident	38 Å²	38	72.6 Å²	72.6	39%	0.392	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.6	-157.2	179.4	0	0	0	0	0	113.5	A78	A78-G108 PolarHBondContact N-O 2.99Å
109	I	89.7	Confident	74.2	Confident	67 Å²	67	76.9 Å²	76.9	34%	0.344	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.7	-179.4	-61.7	170.7	0	0	0	108.4	P75 Y77 F111 W112	P75-I109 HydrophobicContact CB-CD1 3.89Å; P75-I109 HydrophobicContact CB-CG1 4.13Å; P75-I109 HydrophobicContact CB-CG2 3.88Å; Y77-I109 HydrophobicContact CD1-CG1 3.76Å; Y77-I109 HydrophobicContact CE1-CD1 3.99Å; Y77-I109 HydrophobicContact CE1-CG1 3.57Å; I109-F111 VanDerWaalsContact CG2-O 3.31Å; I109-F111 WeakPolarHBondContact CG2-O 3.26Å; I109-W112 HydrophobicContact CD1-CH2 3.86Å; I109-W112 HydrophobicContact CD1-CZ2 3.32Å; I109-W112 HydrophobicContact CG2-CZ2 4.43Å
110	S	91.2	Very high	72.3	Confident	33 Å²	33	78.9 Å²	78.9	23%	0.231	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-48.7	176.6	-53.9	0	0	0	0	110.9	L76 A78 Q88	L76-S110 WeakPolarHBondContact O-CB 3.03Å; L76-S110 PolarHBondContact O-N 3.32Å; L76-S110 PolarHBondContact O-OG 3.09Å; A78-S110 WeakPolarHBondContact CB-OG 3.36Å; Q88-S110 PolarHBondContact NE2-OG 2.86Å
111	F	92.6	Very high	70.6	Confident	1 Å²	1	85.9 Å²	85.9	0%	0.004	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	176.7	179.6	48.4	-100.7	0	0	0	110.5	I12 V26 L39 I41 A63 V64 L76 I109 M113	I12-F111 HydrophobicContact CD1-CZ 4.32Å; V26-F111 HydrophobicContact CG1-CE1 3.98Å; V26-F111 HydrophobicContact CG1-CZ 3.69Å; V26-F111 HydrophobicContact CG2-CE1 4.46Å; V26-F111 HydrophobicContact CG2-CE2 4.21Å; V26-F111 HydrophobicContact CG2-CZ 4.1Å; L39-F111 HydrophobicContact CB-CE1 3.91Å; L39-F111 HydrophobicContact CB-CZ 3.93Å; L39-F111 HydrophobicContact CD1-CZ 4.48Å; I41-F111 HydrophobicContact CD1-CB 3.65Å; I41-F111 HydrophobicContact CG1-CB 4.01Å; I41-F111 HydrophobicContact CG1-CD1 4.4Å; I41-F111 HydrophobicContact CG2-CB 4.25Å; I41-F111 HydrophobicContact CG2-CD1 3.96Å; I41-F111 HydrophobicContact CG2-CG 4.14Å; A63-F111 HydrophobicContact CB-CB 3.97Å; A63-F111 HydrophobicContact CB-CD2 3.28Å; A63-F111 HydrophobicContact CB-CE2 3.84Å; A63-F111 HydrophobicContact CB-CG 3.75Å; V64-F111 WeakPolarHBondContact O-CB 3.41Å; L76-F111 HydrophobicContact CB-CD2 4.18Å; L76-F111 HydrophobicContact CB-CE2 4Å; L76-F111 HydrophobicContact CB-CZ 4.38Å; L76-F111 HydrophobicContact CD2-CE1 3.81Å; L76-F111 HydrophobicContact CD2-CE2 3.7Å; L76-F111 HydrophobicContact CD2-CZ 3.28Å; L76-F111 HydrophobicContact CG-CE2 4.5Å; L76-F111 HydrophobicContact CG-CZ 4.45Å; L76-F111 PolarHBondContact N-O 2.91Å; I109-F111 VanDerWaalsContact CG2-O 3.31Å; I109-F111 WeakPolarHBondContact CG2-O 3.26Å; F111-M113 HydrophobicContact CD2-CG 3.85Å; F111-M113 HydrophobicContact CD2-SD 4.32Å; F111-M113 HydrophobicContact CE2-CG 3.82Å; F111-M113 HydrophobicContact CE2-SD 3.7Å
112	W	91	Very high	70.4	Confident	32 Å²	32	87.6 Å²	87.6	12%	0.121	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.7	178.3	-59.5	77.7	0	0	0	111.3	A63 V64 K67 A72 T73 I74 P75 I109	A63-W112 VanDerWaalsContact CB-O 3.32Å; A63-W112 WeakPolarHBondContact CB-O 3.45Å; V64-W112 HydrophobicContact CG2-CB 3.91Å; V64-W112 PolarHBondContact N-O 3.27Å; V64-W112 PolarHBondContact O-N 2.94Å; K67-W112 HydrophobicContact CB-CD2 3.76Å; K67-W112 HydrophobicContact CB-CE3 3.85Å; K67-W112 HydrophobicContact CB-CG 4.5Å; K67-W112 HydrophobicContact CB-CH2 3.78Å; K67-W112 HydrophobicContact CB-CZ2 3.64Å; K67-W112 HydrophobicContact CB-CZ3 3.87Å; K67-W112 HydrophobicContact CD-CE3 4.28Å; K67-W112 HydrophobicContact CD-CH2 3.56Å; K67-W112 HydrophobicContact CD-CZ2 4.26Å; K67-W112 HydrophobicContact CD-CZ3 3.56Å; K67-W112 HydrophobicContact CG-CD2 4.17Å; K67-W112 HydrophobicContact CG-CE3 3.72Å; K67-W112 HydrophobicContact CG-CH2 3.79Å; K67-W112 HydrophobicContact CG-CZ2 4.19Å; K67-W112 HydrophobicContact CG-CZ3 3.52Å; K67-W112 VanDerWaalsContact N-CD1 3.35Å; A72-W112 HydrophobicContact CB-CB 3.93Å; T73-W112 WeakPolarHBondContact O-CZ3 3.48Å; I74-W112 CarbonylContact O-C 3.38Å; I74-W112 VanDerWaalsContact O-CA 3.25Å; I74-W112 WeakPolarHBondContact O-CA 3.39Å; P75-W112 HydrophobicContact CB-CD2 4.12Å; P75-W112 HydrophobicContact CB-CE3 3.77Å; P75-W112 HydrophobicContact CB-CH2 3.8Å; P75-W112 HydrophobicContact CB-CZ2 4.18Å; P75-W112 HydrophobicContact CB-CZ3 3.59Å; P75-W112 HydrophobicContact CG-CE3 4.3Å; P75-W112 HydrophobicContact CG-CH2 4.13Å; P75-W112 HydrophobicContact CG-CZ3 3.78Å; I109-W112 HydrophobicContact CD1-CH2 3.86Å; I109-W112 HydrophobicContact CD1-CZ2 3.32Å; I109-W112 HydrophobicContact CG2-CZ2 4.43Å
113	M	88.2	Confident	70.7	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.015	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	176.5	-175.2	-53.6	-178.5	-61.6	0	0	110.1	I12 A63 A72 T73 I74 L76 E90 F111	I12-M113 HydrophobicContact CB-SD 4.49Å; I12-M113 HydrophobicContact CG1-SD 3.68Å; A63-M113 HydrophobicContact CB-CG 4.38Å; A72-M113 CarbonylContact C-O 3.6Å; A72-M113 VanDerWaalsContact CA-O 3.26Å; A72-M113 WeakPolarHBondContact CA-O 3.42Å; A72-M113 WeakPolarHBondContact CB-O 3.45Å; T73-M113 PolarHBondContact N-O 3.27Å; I74-M113 HydrophobicContact CB-CB 4.29Å; I74-M113 HydrophobicContact CG2-CE 3.97Å; I74-M113 PolarHBondContact N-O 2.77Å; I74-M113 PolarHBondContact O-N 3.49Å; L76-M113 HydrophobicContact CB-CE 4.34Å; L76-M113 HydrophobicContact CD1-CE 4.48Å; E90-M113 HydrophobicContact CG-CE 4.07Å; E90-M113 WeakPolarHBondContact OE1-CE 3.35Å; F111-M113 HydrophobicContact CD2-CG 3.85Å; F111-M113 HydrophobicContact CD2-SD 4.32Å; F111-M113 HydrophobicContact CE2-CG 3.82Å; F111-M113 HydrophobicContact CE2-SD 3.7Å
114	W	83.2	Confident	70.8	Confident	36 Å²	36	82.6 Å²	82.6	14%	0.136	43%	0.427	C	S	.	.			trans	-105	152.3	-179	-58	-91.2	0	0	0	110.7	A13 N17 A23 S62 V64 C70 A72	A13-W114 HydrophobicContact CB-CE3 3.65Å; A13-W114 HydrophobicContact CB-CZ3 3.83Å; N17-W114 HydrophobicContact CB-CH2 4.34Å; N17-W114 HydrophobicContact CB-CZ2 4.29Å; A23-W114 HydrophobicContact CB-CH2 4.46Å; S62-W114 WeakPolarHBondContact O-CZ3 3.46Å; V64-W114 HydrophobicContact CG1-CH2 4.09Å; V64-W114 HydrophobicContact CG1-CZ2 3.93Å; C70-W114 HydrophobicContact CB-CZ2 4.22Å; C70-W114 PolarHBondContact O-NE1 3.12Å; A72-W114 HydrophobicContact CB-CD2 4.38Å; A72-W114 HydrophobicContact CB-CZ2 4.45Å
115	D	74	Confident	70.8	Confident	63 Å²	63	85.2 Å²	85.2	34%	0.337	44%	0.443	S	S	.	.			trans	-67.5	148.1	170.2	-162.1	-28.2	0	0	0	109.8	I74 K117 D118	I74-D115 HydrophobicContact CD1-CB 3.98Å; D115-K117 PolarHBondContact O-N 3.16Å; D115-K117 PolarHBondContact OD1-N 3.19Å; D115-D118 PolarHBondContact O-N 3.23Å
116	E	60.9	Low	70.5	Confident	113 Å²	113	84.4 Å²	84.4	53%	0.528	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.4	175.2	-67.7	-174.3	170.8	0	0	111.7	D118 R119	E116-D118 VanDerWaalsContact C-N 3.35Å; E116-D118 PolarHBondContact O-N 3.26Å; E116-R119 WeakPolarHBondContact O-CB 3.44Å; E116-R119 VanDerWaalsContact O-CG 3.31Å; E116-R119 WeakPolarHBondContact O-CG 3.42Å
117	K	48.7	Very low	70.2	Confident	170 Å²	170	84.3 Å²	84.3	74%	0.739	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-76.1	-18	-176.1	-66.8	-178	-170.3	156.8	0	114.6	D115 R119	D115-K117 PolarHBondContact O-N 3.16Å; D115-K117 PolarHBondContact OD1-N 3.19Å; K117-R119 PolarHBondContact O-N 3.1Å; K117-R119 VanDerWaalsContact O-N 3.15Å
118	D	42.1	Very low	69.4	Low	101 Å²	101	82.4 Å²	82.4	54%	0.54	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-82.5	18	179.7	-59.3	-30.9	0	0	0	112	D115 E116	D115-D118 PolarHBondContact O-N 3.23Å; E116-D118 VanDerWaalsContact C-N 3.35Å; E116-D118 PolarHBondContact O-N 3.26Å
119	R	47.4	Very low	68.2	Low	113 Å²	113	85.8 Å²	85.8	43%	0.426	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-94.2	-4	-176.2	-67.3	-171.1	-164.7	172.5	12	115.3	E11 E116 K117	E11-R119 IonicContact OE1-NH1 3.78Å; E11-R119 IonicContact OE2-CZ 3.13Å; E11-R119 IonicContact OE2-NH1 2.69Å; E11-R119 PolarHBondContact OE2-NH1 2.77Å; E11-R119 IonicContact OE2-NH2 2.72Å; E11-R119 PolarHBondContact OE2-NH2 2.95Å; E116-R119 WeakPolarHBondContact O-CB 3.44Å; E116-R119 VanDerWaalsContact O-CG 3.31Å; E116-R119 WeakPolarHBondContact O-CG 3.42Å; K117-R119 PolarHBondContact O-N 3.1Å; K117-R119 VanDerWaalsContact O-N 3.15Å
120	D	39	Very low	66.4	Low	149 Å²	149	87.4 Å²	87.4	80%	0.797	43%	0.428	S	S	*	.			trans	-116.2	8.3	-168.1	-77	-26.9	0	0	0	116.2
121	D	39.2	Very low	64.2	Low	235 Å²	235	92.4 Å²	92.4	100%	1.257	45%	0.446	S	S	*	.			trans	-109.6	0	178.6	-69.4	-19.8	0	0	0	114.4

Retrieved 121 of 121 residues in 74.6 ms (Link to these results)

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