A0A077Z8Q1_TRITR Loading...

HSP20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 aa.

						>A0A077Z8Q1_TRITR|A0A077Z8Q1
MDRSFAFKFASFLGPTEVINEKNRFAVNVDCSHFRPEEIEVKRANDRLVIHAKHNERMDPHGYISREFTRQYMIPKDIQEDTWNSHFSNNGILTVEVGPFPYVA
					

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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	37.6	Very low	37.6	Very low	233 Å²	233	150.1 Å²	150.1	100%	1.148	78%	0.776	S	S	*	*				0	81.8	0	-75.9	176.2	173.9	0	0	106.6
2	D	37.5	Very low	38.3	Very low	142 Å²	142	154.3 Å²	154.3	76%	0.759	79%	0.785	S	S	*	*			trans	-83	117.7	177.7	-172.2	-4.2	0	0	0	107.8	S4	D2-S4 PolarHBondContact OD1-N 3.39Å; D2-S4 PolarHBondContact OD1-OG 3.36Å
3	R	36.5	Very low	39.1	Very low	201 Å²	201	150.4 Å²	150.4	76%	0.758	77%	0.766	S	S	*	*			trans	-120.5	41.4	-177.8	-77.2	-169.7	174.3	-175.3	0.2	110.9	F5	R3-F5 PolarHBondContact O-N 3.14Å
4	S	39.3	Very low	40.4	Very low	91 Å²	91	142.1 Å²	142.1	64%	0.636	74%	0.737	S	S	*	*			trans	-89.3	85.2	159.9	64	0	0	0	0	110.2	D2 A6	D2-S4 PolarHBondContact OD1-N 3.39Å; D2-S4 PolarHBondContact OD1-OG 3.36Å; S4-A6 VanDerWaalsContact C-N 3.27Å; S4-A6 PolarHBondContact O-N 3.42Å; S4-A6 VanDerWaalsContact O-N 3.14Å
5	F	38.2	Very low	41.9	Very low	180 Å²	180	138.3 Å²	138.3	79%	0.789	73%	0.725	S	S	*	*			trans	-80.9	78.8	162.7	-90	-85.4	0	0	0	108.9	R3 F7	R3-F5 PolarHBondContact O-N 3.14Å; F5-F7 PolarHBondContact O-N 2.76Å
6	A	36.5	Very low	44	Very low	84 Å²	84	133.1 Å²	133.1	69%	0.694	70%	0.7	S	S	*	*			trans	-75.7	96.6	165.7	0	0	0	0	0	108.6	S4 K8	S4-A6 VanDerWaalsContact C-N 3.27Å; S4-A6 PolarHBondContact O-N 3.42Å; S4-A6 VanDerWaalsContact O-N 3.14Å; A6-K8 PolarHBondContact O-N 3.01Å
7	F	38.5	Very low	46.4	Very low	169 Å²	169	131.5 Å²	131.5	74%	0.741	69%	0.688	S	S	*	*			trans	-65.3	100.3	168.1	-94.9	-88.6	0	0	0	109.4	F5 F9	F5-F7 PolarHBondContact O-N 2.76Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 HydrophobicContact CD1-CD2 4.45Å; F7-F9 PolarHBondContact O-N 2.78Å
8	K	31.3	Very low	48.7	Very low	192 Å²	192	128.5 Å²	128.5	84%	0.835	68%	0.676	S	S	*	*			trans	-77	73.7	172.9	-79.7	-178.4	172.5	-179.7	0	111.6	A6	A6-K8 PolarHBondContact O-N 3.01Å
9	F	38.7	Very low	50.8	Low	166 Å²	166	123.9 Å²	123.9	73%	0.728	65%	0.652	S	S	*	*			trans	-125.1	38.1	160.5	-78.7	-77.5	0	0	0	110.8	F7 S11	F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 HydrophobicContact CD1-CD2 4.45Å; F7-F9 PolarHBondContact O-N 2.78Å; F9-S11 PolarHBondContact O-N 2.97Å
10	A	37.2	Very low	52.6	Low	79 Å²	79	122.1 Å²	122.1	65%	0.653	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	7.5	-159	0	0	0	0	0	116.7
11	S	42	Very low	54.2	Low	114 Å²	114	120.6 Å²	120.6	80%	0.797	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-17	-176.6	63.4	0	0	0	0	114.8	F9	F9-S11 PolarHBondContact O-N 2.97Å
12	F	46.8	Very low	56.4	Low	200 Å²	200	117.8 Å²	117.8	88%	0.877	61%	0.614	S	S	*	*	S	Bend	trans	-115.4	-9.3	-179.3	-93	-85.7	0	0	0	114.9
13	L	48.4	Very low	58.6	Low	104 Å²	104	114.6 Å²	114.6	55%	0.545	60%	0.596	S	S	.	*	S	Bend	trans	-100.6	5.8	-167.1	-68	172	0	0	0	114.6	T16 R70	L13-T16 PolarHBondContact O-OG1 3Å; L13-R70 PolarHBondContact O-NH2 3.24Å
14	G	56.8	Low	61.1	Low	34 Å²	34	108.9 Å²	108.9	35%	0.351	58%	0.575	S	S	.	*			trans	61.6	166.1	-171.4	0	0	0	0	0	112.5	T16	G14-T16 PolarHBondContact O-N 3.26Å; G14-T16 PolarHBondContact O-OG1 3.13Å
15	P	63.8	Low	63.7	Low	86 Å²	86	104.9 Å²	104.9	56%	0.558	55%	0.546	S	S	*	.	S	Bend	trans	-62.7	115.5	178.5	25	-29.3	0	0	0	108.7	D30	P15-D30 WeakPolarHBondContact CD-OD2 3.47Å; P15-D30 HydrophobicContact CG-CB 3.94Å; P15-D30 PolarHBondContact O-N 3.18Å
16	T	74.9	Confident	66.3	Low	55 Å²	55	96.4 Å²	96.4	34%	0.337	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.6	175.4	-45.7	0	0	0	0	107.1	L13 G14 N28 R70 Y72	L13-T16 PolarHBondContact O-OG1 3Å; G14-T16 PolarHBondContact O-N 3.26Å; G14-T16 PolarHBondContact O-OG1 3.13Å; T16-N28 VanDerWaalsContact CA-O 3.3Å; T16-N28 WeakPolarHBondContact CA-O 2.95Å; T16-R70 PolarHBondContact OG1-NH1 2.92Å; T16-Y72 HydrophobicContact CG2-CE1 4.18Å; T16-Y72 WeakPolarHBondContact CG2-OH 3.48Å
17	E	84.9	Confident	69	Low	106 Å²	106	92.4 Å²	92.4	50%	0.495	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.1	175.1	-168.5	-179.7	-168.7	0	0	108.7	I19 V27 N28	E17-I19 HydrophobicContact CG-CG1 4.4Å; E17-V27 CarbonylContact O-C 3.56Å; E17-V27 VanDerWaalsContact O-CA 3.29Å; E17-V27 WeakPolarHBondContact O-CA 3.23Å; E17-N28 HydrophobicContact CB-CB 4Å; E17-N28 PolarHBondContact N-O 2.94Å; E17-N28 VanDerWaalsContact N-O 3.14Å; E17-N28 PolarHBondContact O-N 2.9Å; E17-N28 PolarHBondContact OE2-ND2 3.48Å
18	V	88.6	Confident	71.7	Confident	77 Å²	77	85.9 Å²	85.9	47%	0.467	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.8	174.5	-178.3	0	0	0	0	107.3	F25 A26 V27 Y72	V18-F25 HydrophobicContact CG1-CD2 4.28Å; V18-F25 HydrophobicContact CG1-CE2 3.5Å; V18-F25 VanDerWaalsContact CG1-CE2 3.5Å; V18-F25 HydrophobicContact CG1-CZ 4.1Å; V18-A26 WeakPolarHBondContact CA-O 3.29Å; V18-V27 HydrophobicContact CG1-CG1 4.4Å; V18-V27 HydrophobicContact CG2-CG1 4.22Å; V18-Y72 HydrophobicContact CG2-CD1 4.09Å; V18-Y72 HydrophobicContact CG2-CE1 3.84Å
19	I	87.3	Confident	74.7	Confident	41 Å²	41	76.7 Å²	76.7	21%	0.21	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.5	176	-58.3	171.3	0	0	0	107	E17 E21 F25 A26	E17-I19 HydrophobicContact CG-CG1 4.4Å; I19-E21 HydrophobicContact CG2-CG 4.03Å; I19-F25 VanDerWaalsContact O-CA 3.3Å; I19-F25 WeakPolarHBondContact O-CA 3.28Å; I19-A26 HydrophobicContact CB-CB 4.1Å; I19-A26 HydrophobicContact CD1-CB 4.3Å; I19-A26 PolarHBondContact N-O 3.04Å; I19-A26 PolarHBondContact O-N 3.45Å
20	N	87.3	Confident	77.4	Confident	88 Å²	88	70.9 Å²	70.9	47%	0.471	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	96.5	179.5	-174.8	9.8	0	0	0	109.9	P75	N20-P75 WeakPolarHBondContact OD1-CG 3.18Å
21	E	86.2	Confident	80.1	Confident	91 Å²	91	67.1 Å²	67.1	43%	0.425	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	166.3	179.1	-66.2	170	179.1	0	0	110.1	I19 N23 R24	I19-E21 HydrophobicContact CG2-CG 4.03Å; E21-N23 PolarHBondContact O-N 2.83Å; E21-R24 HydrophobicContact CB-CB 4.28Å; E21-R24 PolarHBondContact N-O 2.87Å; E21-R24 PolarHBondContact O-N 3.15Å; E21-R24 VanDerWaalsContact O-N 3.15Å; E21-R24 VanDerWaalsContact O-O 3.05Å; E21-R24 IonicContact OE1-CZ 3.95Å; E21-R24 IonicContact OE1-NE 3.24Å; E21-R24 IonicContact OE1-NH2 2.76Å; E21-R24 PolarHBondContact OE1-NH2 3.14Å; E21-R24 IonicContact OE2-CZ 2.78Å; E21-R24 VanDerWaalsContact OE2-CZ 3.27Å; E21-R24 IonicContact OE2-NE 2.74Å; E21-R24 PolarHBondContact OE2-NE 2.82Å; E21-R24 IonicContact OE2-NH2 3.01Å; E21-R24 PolarHBondContact OE2-NH2 2.81Å
22	K	83	Confident	82.6	Confident	174 Å²	174	64.4 Å²	64.4	76%	0.757	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-37.8	-170.4	-172.7	-179.5	173.7	-176	0	115
23	N	84.9	Confident	84.9	Confident	75 Å²	75	59.4 Å²	59.4	40%	0.401	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	12.5	-179.4	-67.1	-1	0	0	0	112.5	E21 G98 P99	E21-N23 PolarHBondContact O-N 2.83Å; N23-G98 VanDerWaalsContact O-CA 3.3Å; N23-G98 WeakPolarHBondContact O-CA 3.45Å; N23-P99 VanDerWaalsContact O-CD 3.23Å; N23-P99 WeakPolarHBondContact O-CD 3.36Å
24	R	89.5	Confident	87.1	Confident	81 Å²	81	55.3 Å²	55.3	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	133	-174.1	-177	177.2	70.9	145.4	0.6	110.6	E21 V97	E21-R24 HydrophobicContact CB-CB 4.28Å; E21-R24 PolarHBondContact N-O 2.87Å; E21-R24 PolarHBondContact O-N 3.15Å; E21-R24 VanDerWaalsContact O-N 3.15Å; E21-R24 VanDerWaalsContact O-O 3.05Å; E21-R24 IonicContact OE1-CZ 3.95Å; E21-R24 IonicContact OE1-NE 3.24Å; E21-R24 IonicContact OE1-NH2 2.76Å; E21-R24 PolarHBondContact OE1-NH2 3.14Å; E21-R24 IonicContact OE2-CZ 2.78Å; E21-R24 VanDerWaalsContact OE2-CZ 3.27Å; E21-R24 IonicContact OE2-NE 2.74Å; E21-R24 PolarHBondContact OE2-NE 2.82Å; E21-R24 IonicContact OE2-NH2 3.01Å; E21-R24 PolarHBondContact OE2-NH2 2.81Å; R24-V97 CarbonylContact C-O 3.58Å; R24-V97 VanDerWaalsContact CA-O 3.28Å; R24-V97 WeakPolarHBondContact CA-O 3.39Å
25	F	92.3	Very high	88.9	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.1	168.3	170.6	-94.2	0	0	0	109.7	V18 I19 V27 L48 Y72 P75 I78 E96 V97	V18-F25 HydrophobicContact CG1-CD2 4.28Å; V18-F25 HydrophobicContact CG1-CE2 3.5Å; V18-F25 VanDerWaalsContact CG1-CE2 3.5Å; V18-F25 HydrophobicContact CG1-CZ 4.1Å; I19-F25 VanDerWaalsContact O-CA 3.3Å; I19-F25 WeakPolarHBondContact O-CA 3.28Å; F25-V27 HydrophobicContact CE1-CG1 3.62Å; F25-V27 HydrophobicContact CE2-CG1 4.33Å; F25-V27 HydrophobicContact CZ-CG1 3.44Å; F25-V27 VanDerWaalsContact CZ-CG1 3.44Å; F25-L48 HydrophobicContact CE1-CD2 4.37Å; F25-Y72 HydrophobicContact CZ-CG 4.41Å; F25-P75 HydrophobicContact CD2-CG 3.93Å; F25-P75 HydrophobicContact CE2-CG 4.49Å; F25-I78 HydrophobicContact CB-CD1 3.11Å; F25-I78 HydrophobicContact CG-CD1 4.13Å; F25-E96 CarbonylContact O-C 3.49Å; F25-E96 WeakPolarHBondContact O-CA 3.3Å; F25-V97 HydrophobicContact CB-CG1 3.78Å; F25-V97 HydrophobicContact CD1-CG1 4.13Å; F25-V97 HydrophobicContact CG-CG1 4.44Å; F25-V97 PolarHBondContact N-O 3.33Å; F25-V97 PolarHBondContact O-N 3.22Å
26	A	93	Very high	90.4	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	176.1	0	0	0	0	0	110.7	V18 I19 V95 E96	V18-A26 WeakPolarHBondContact CA-O 3.29Å; I19-A26 HydrophobicContact CB-CB 4.1Å; I19-A26 HydrophobicContact CD1-CB 4.3Å; I19-A26 PolarHBondContact N-O 3.04Å; I19-A26 PolarHBondContact O-N 3.45Å; A26-V95 CarbonylContact C-O 3.53Å; A26-V95 VanDerWaalsContact CA-O 3.29Å; A26-V95 WeakPolarHBondContact CA-O 3.46Å; A26-E96 HydrophobicContact CB-CB 3.68Å
27	V	94.6	Very high	91.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.7	169.5	-59.7	0	0	0	0	109.7	E17 V18 F25 V29 L48 I50 Y72 T94 V95	E17-V27 CarbonylContact O-C 3.56Å; E17-V27 VanDerWaalsContact O-CA 3.29Å; E17-V27 WeakPolarHBondContact O-CA 3.23Å; V18-V27 HydrophobicContact CG1-CG1 4.4Å; V18-V27 HydrophobicContact CG2-CG1 4.22Å; F25-V27 HydrophobicContact CE1-CG1 3.62Å; F25-V27 HydrophobicContact CE2-CG1 4.33Å; F25-V27 HydrophobicContact CZ-CG1 3.44Å; F25-V27 VanDerWaalsContact CZ-CG1 3.44Å; V27-V29 HydrophobicContact CG2-CG2 4.39Å; V27-L48 HydrophobicContact CG2-CD2 3.46Å; V27-L48 VanDerWaalsContact CG2-CD2 3.46Å; V27-I50 HydrophobicContact CG2-CD1 3.95Å; V27-Y72 HydrophobicContact CB-CE1 4.36Å; V27-Y72 HydrophobicContact CB-CE2 4.28Å; V27-Y72 HydrophobicContact CG1-CD1 3.69Å; V27-Y72 HydrophobicContact CG1-CD2 4.04Å; V27-Y72 HydrophobicContact CG1-CE1 3.86Å; V27-Y72 HydrophobicContact CG1-CE2 4.22Å; V27-Y72 HydrophobicContact CG1-CG 3.79Å; V27-Y72 HydrophobicContact CG2-CD2 4.29Å; V27-Y72 HydrophobicContact CG2-CE2 4.14Å; V27-T94 WeakPolarHBondContact O-CA 3.29Å; V27-V95 HydrophobicContact CG2-CB 4Å; V27-V95 PolarHBondContact N-O 2.81Å; V27-V95 PolarHBondContact O-N 3Å
28	N	94.4	Very high	92	Very high	32 Å²	32	60.6 Å²	60.6	17%	0.171	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.8	168.1	-64.6	-34.8	0	0	0	108.3	T16 E17 I92 L93 T94	T16-N28 VanDerWaalsContact CA-O 3.3Å; T16-N28 WeakPolarHBondContact CA-O 2.95Å; E17-N28 HydrophobicContact CB-CB 4Å; E17-N28 PolarHBondContact N-O 2.94Å; E17-N28 VanDerWaalsContact N-O 3.14Å; E17-N28 PolarHBondContact O-N 2.9Å; E17-N28 PolarHBondContact OE2-ND2 3.48Å; N28-I92 HydrophobicContact CB-CG2 3.95Å; N28-L93 CarbonylContact C-O 3.18Å; N28-L93 WeakPolarHBondContact CA-O 3.3Å; N28-T94 WeakPolarHBondContact OD1-CB 3.1Å; N28-T94 WeakPolarHBondContact OD1-CG2 3.13Å; N28-T94 PolarHBondContact OD1-OG1 2.94Å
29	V	94.5	Very high	92.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.2	-176.9	177.5	0	0	0	0	109.1	V27 C31 I50 F68 Y72 L93	V27-V29 HydrophobicContact CG2-CG2 4.39Å; V29-C31 PolarHBondContact O-N 2.78Å; V29-I50 HydrophobicContact CG2-CD1 3.76Å; V29-F68 HydrophobicContact CG1-CE2 4.17Å; V29-F68 HydrophobicContact CG1-CZ 3.8Å; V29-Y72 HydrophobicContact CG2-CE2 4.31Å; V29-Y72 WeakPolarHBondContact CG2-OH 3.41Å; V29-L93 HydrophobicContact CB-CB 4.47Å; V29-L93 PolarHBondContact N-O 2.74Å; V29-L93 PolarHBondContact O-N 2.74Å
30	D	94.2	Very high	92.9	Very high	44 Å²	44	60.5 Å²	60.5	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	111.6	169.1	-171	-12.4	0	0	0	110.9	P15 S32 I92	P15-D30 WeakPolarHBondContact CD-OD2 3.47Å; P15-D30 HydrophobicContact CG-CB 3.94Å; P15-D30 PolarHBondContact O-N 3.18Å; D30-S32 WeakPolarHBondContact OD1-CB 3.44Å; D30-S32 PolarHBondContact OD1-N 2.84Å; D30-S32 PolarHBondContact OD1-OG 3.06Å; D30-I92 HydrophobicContact CB-CD1 4.13Å
31	C	95.1	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.			trans	-121.9	23.8	175.6	-69.7	0	0	0	0	110.6	V29 H33 F34 I39 F68 F87 G91 L93	V29-C31 PolarHBondContact O-N 2.78Å; C31-H33 PolarHBondContact O-N 2.96Å; C31-F34 HydrophobicContact CB-CD2 4.39Å; C31-F34 PolarHBondContact O-N 2.91Å; C31-I39 HydrophobicContact CB-CD1 3.62Å; C31-F68 VanDerWaalsContact SG-CZ 3.59Å; C31-F87 HydrophobicContact CB-CE2 3.77Å; C31-G91 CarbonylContact C-O 3.58Å; C31-G91 WeakPolarHBondContact CA-O 3.2Å; C31-G91 PolarHBondContact N-O 3.24Å; C31-L93 HydrophobicContact CB-CB 4.46Å
32	S	94.6	Very high	93.7	Very high	57 Å²	57	59.5 Å²	59.5	40%	0.399	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.2	-175.2	57.8	0	0	0	0	114.6	D30 G91	D30-S32 WeakPolarHBondContact OD1-CB 3.44Å; D30-S32 PolarHBondContact OD1-N 2.84Å; D30-S32 PolarHBondContact OD1-OG 3.06Å; S32-G91 PolarHBondContact N-O 2.92Å; S32-G91 VanDerWaalsContact N-O 3.07Å
33	H	93.6	Very high	94.1	Very high	94 Å²	94	56.9 Å²	56.9	44%	0.435	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.3	174.2	-62	-46	0	0	0	114.3	C31 R57	C31-H33 PolarHBondContact O-N 2.96Å; H33-R57 PolarHBondContact O-NH2 2.83Å
34	F	95	Very high	94.3	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.079	27%	0.269	C	S	.	.	S	Bend	trans	-119.8	147.7	-175.2	-59	-92.6	0	0	0	110.8	C31 E38 I39 A52 H54 R66 F68	C31-F34 HydrophobicContact CB-CD2 4.39Å; C31-F34 PolarHBondContact O-N 2.91Å; F34-E38 WeakPolarHBondContact CA-OE2 3.32Å; F34-E38 HydrophobicContact CB-CB 4.35Å; F34-E38 HydrophobicContact CD1-CB 4.42Å; F34-I39 HydrophobicContact CB-CD1 4.05Å; F34-I39 HydrophobicContact CB-CG1 3.87Å; F34-A52 HydrophobicContact CD1-CB 3.63Å; F34-A52 HydrophobicContact CD2-CB 4.15Å; F34-A52 HydrophobicContact CE1-CB 3.7Å; F34-A52 HydrophobicContact CE2-CB 4.24Å; F34-A52 HydrophobicContact CG-CB 3.86Å; F34-A52 HydrophobicContact CZ-CB 4.03Å; F34-H54 HydrophobicContact CD1-CB 4.07Å; F34-H54 AromaticContact CD1-CD2 3.97Å; F34-H54 HydrophobicContact CE1-CB 4.33Å; F34-H54 AromaticContact CE1-CD2 3.67Å; F34-R66 HydrophobicContact CE1-CB 4.27Å; F34-R66 WeakPolarHBondContact CE1-O 3.35Å; F34-R66 HydrophobicContact CZ-CB 3.86Å; F34-F68 HydrophobicContact CD2-CD1 4.49Å; F34-F68 HydrophobicContact CD2-CE1 4.03Å; F34-F68 AromaticContact CE2-CD1 3.59Å; F34-F68 HydrophobicContact CE2-CD1 3.59Å; F34-F68 AromaticContact CE2-CE1 3.55Å; F34-F68 HydrophobicContact CE2-CE1 3.55Å; F34-F68 AromaticContact CZ-CD1 3.62Å; F34-F68 HydrophobicContact CZ-CD1 3.62Å; F34-F68 AromaticContact CZ-CE1 3.97Å; F34-F68 HydrophobicContact CZ-CE1 3.97Å
35	R	94.3	Very high	94.2	Very high	138 Å²	138	58.9 Å²	58.9	52%	0.521	29%	0.294	S	S	.	.			trans	-79.6	155.5	166.3	-68.8	178.5	-80.7	-169.5	-1.1	110.1	E37 E38	R35-E37 WeakPolarHBondContact CB-OE2 3.49Å; R35-E37 PolarHBondContact O-N 3.21Å; R35-E38 HydrophobicContact CB-CB 4.49Å; R35-E38 HydrophobicContact CB-CG 4.1Å; R35-E38 IonicContact CZ-OE1 3.59Å; R35-E38 VanDerWaalsContact CZ-OE1 3.27Å; R35-E38 PolarHBondContact N-OE2 2.88Å; R35-E38 IonicContact NE-OE1 2.65Å; R35-E38 PolarHBondContact NE-OE1 3.26Å; R35-E38 IonicContact NE-OE2 3.81Å; R35-E38 IonicContact NH2-OE1 2.56Å; R35-E38 PolarHBondContact NH2-OE1 3Å; R35-E38 WeakPolarHBondContact O-CB 3.41Å; R35-E38 PolarHBondContact O-N 3.45Å
36	P	95.2	Very high	94.1	Very high	69 Å²	69	61.8 Å²	61.8	45%	0.448	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-52.3	-39.5	176.3	-25.2	33.4	0	0	0	113.2	E38 I39 F87	P36-E38 PolarHBondContact O-N 2.67Å; P36-I39 PolarHBondContact O-N 3.48Å; P36-F87 HydrophobicContact CB-CD1 4.44Å; P36-F87 HydrophobicContact CG-CD1 3.72Å; P36-F87 HydrophobicContact CG-CE1 3.9Å
37	E	96.4	Very high	94.2	Very high	159 Å²	159	66.8 Å²	66.8	74%	0.743	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.3	-11.2	-179	-51.6	75.8	-160.3	0	0	113.3	R35	R35-E37 WeakPolarHBondContact CB-OE2 3.49Å; R35-E37 PolarHBondContact O-N 3.21Å
38	E	97.1	Very high	94.1	Very high	27 Å²	27	66.8 Å²	66.8	13%	0.126	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-92	0.6	176.9	-68.6	171.3	165.8	0	0	112.1	F34 R35 P36 A52 K53 H54	F34-E38 WeakPolarHBondContact CA-OE2 3.32Å; F34-E38 HydrophobicContact CB-CB 4.35Å; F34-E38 HydrophobicContact CD1-CB 4.42Å; R35-E38 HydrophobicContact CB-CB 4.49Å; R35-E38 HydrophobicContact CB-CG 4.1Å; R35-E38 IonicContact CZ-OE1 3.59Å; R35-E38 VanDerWaalsContact CZ-OE1 3.27Å; R35-E38 PolarHBondContact N-OE2 2.88Å; R35-E38 IonicContact NE-OE1 2.65Å; R35-E38 PolarHBondContact NE-OE1 3.26Å; R35-E38 IonicContact NE-OE2 3.81Å; R35-E38 IonicContact NH2-OE1 2.56Å; R35-E38 PolarHBondContact NH2-OE1 3Å; R35-E38 WeakPolarHBondContact O-CB 3.41Å; R35-E38 PolarHBondContact O-N 3.45Å; P36-E38 PolarHBondContact O-N 2.67Å; E38-A52 CarbonylContact O-C 3.58Å; E38-A52 VanDerWaalsContact O-CA 3.28Å; E38-A52 WeakPolarHBondContact O-CA 3.46Å; E38-K53 VanDerWaalsContact CB-O 3.31Å; E38-K53 WeakPolarHBondContact CB-O 3.41Å; E38-K53 PolarHBondContact O-N 2.65Å; E38-H54 VanDerWaalsContact CD-CB 3.48Å; E38-H54 HydrophobicContact CG-CB 4.41Å; E38-H54 WeakPolarHBondContact OE2-CB 3.37Å
39	I	97.5	Very high	94.2	Very high	28 Å²	28	66.6 Å²	66.6	14%	0.144	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.2	-174.4	-56.8	165.8	0	0	0	109.6	C31 F34 P36 V41 I50 A52 F87 L93	C31-I39 HydrophobicContact CB-CD1 3.62Å; F34-I39 HydrophobicContact CB-CD1 4.05Å; F34-I39 HydrophobicContact CB-CG1 3.87Å; P36-I39 PolarHBondContact O-N 3.48Å; I39-V41 HydrophobicContact CG2-CG2 4.43Å; I39-I50 HydrophobicContact CG2-CG2 4.33Å; I39-A52 HydrophobicContact CG1-CB 4.05Å; I39-F87 HydrophobicContact CD1-CD2 4.26Å; I39-F87 HydrophobicContact CD1-CE2 4.04Å; I39-F87 HydrophobicContact CD1-CZ 4.43Å; I39-L93 HydrophobicContact CG2-CD2 3.86Å
40	E	97.6	Very high	94.3	Very high	88 Å²	88	66.6 Å²	66.6	41%	0.411	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130	175.7	-174.5	176.9	-137.9	0	0	110.3	K42 I50 H51	E40-K42 HydrophobicContact CG-CD 4.24Å; E40-K42 HydrophobicContact CG-CG 4.18Å; E40-K42 WeakPolarHBondContact OE1-CE 3.48Å; E40-K42 IonicContact OE1-NZ 2.74Å; E40-K42 PolarHBondContact OE1-NZ 3.46Å; E40-K42 WeakPolarHBondContact OE2-CE 3.44Å; E40-K42 IonicContact OE2-NZ 2.94Å; E40-K42 PolarHBondContact OE2-NZ 2.82Å; E40-I50 WeakPolarHBondContact O-CA 3.42Å; E40-H51 HydrophobicContact CB-CB 4.44Å; E40-H51 PolarHBondContact N-O 3.48Å; E40-H51 PolarHBondContact O-N 2.86Å
41	V	96.8	Very high	94.4	Very high	53 Å²	53	66.8 Å²	66.8	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.4	177.1	-175.5	0	0	0	0	108.7	I39 L48 I50 L93 V95	I39-V41 HydrophobicContact CG2-CG2 4.43Å; V41-L48 HydrophobicContact CG1-CD1 3.63Å; V41-I50 HydrophobicContact CG1-CG1 4.45Å; V41-I50 HydrophobicContact CG2-CG1 4.4Å; V41-L93 HydrophobicContact CG2-CD2 3.93Å; V41-V95 HydrophobicContact CG1-CG1 3.95Å; V41-V95 HydrophobicContact CG1-CG2 3.93Å; V41-V95 HydrophobicContact CG2-CG2 4.12Å
42	K	94.7	Very high	94.5	Very high	104 Å²	104	66.8 Å²	66.8	45%	0.452	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.7	-177.9	-78.3	172.3	168.9	153.8	0	111.1	E40 V49	E40-K42 HydrophobicContact CG-CD 4.24Å; E40-K42 HydrophobicContact CG-CG 4.18Å; E40-K42 WeakPolarHBondContact OE1-CE 3.48Å; E40-K42 IonicContact OE1-NZ 2.74Å; E40-K42 PolarHBondContact OE1-NZ 3.46Å; E40-K42 WeakPolarHBondContact OE2-CE 3.44Å; E40-K42 IonicContact OE2-NZ 2.94Å; E40-K42 PolarHBondContact OE2-NZ 2.82Å; K42-V49 HydrophobicContact CB-CB 4.39Å; K42-V49 PolarHBondContact N-O 2.53Å; K42-V49 PolarHBondContact O-N 2.88Å
43	R	90.5	Very high	94.7	Very high	120 Å²	120	68.4 Å²	68.4	45%	0.453	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.7	160.4	-174.7	-179.3	175.8	151.2	5.7	108.8	R47 I74 D81 W83	R43-R47 WeakPolarHBondContact CA-O 3.3Å; R43-I74 HydrophobicContact CG-CD1 4.31Å; R43-D81 IonicContact CZ-OD1 3.93Å; R43-D81 IonicContact NH1-OD1 3.27Å; R43-D81 PolarHBondContact NH1-OD1 3.04Å; R43-W83 HydrophobicContact CG-CZ2 4.2Å
44	A	89.2	Confident	94.8	Very high	45 Å²	45	64 Å²	64	37%	0.372	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	110.5	175.7	0	0	0	0	0	109.5	D46 R47 V49	A44-D46 PolarHBondContact O-N 3.41Å; A44-R47 PolarHBondContact N-O 2.88Å; A44-R47 WeakPolarHBondContact O-CB 3.06Å; A44-R47 PolarHBondContact O-N 3.36Å; A44-V49 HydrophobicContact CB-CG2 4.22Å
45	N	87.9	Confident	94.8	Very high	153 Å²	153	69 Å²	69	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	-115.2	-174.8	-56.1	-37.9	0	0	0	111.9
46	D	90.7	Very high	94.9	Very high	66 Å²	66	69 Å²	69	35%	0.353	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	22	178.1	61.3	-11.2	0	0	0	112.5	A44 M73 I74	A44-D46 PolarHBondContact O-N 3.41Å; D46-M73 HydrophobicContact CB-CE 4.33Å; D46-M73 VanDerWaalsContact CG-CE 3.47Å; D46-M73 WeakPolarHBondContact OD2-CE 3.47Å; D46-I74 PolarHBondContact O-N 2.87Å
47	R	93.3	Very high	94.9	Very high	107 Å²	107	69.8 Å²	69.8	40%	0.404	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.2	-177.9	-57.2	-177	-175	175.9	2.8	113.3	R43 A44 V49 Y72 M73	R43-R47 WeakPolarHBondContact CA-O 3.3Å; A44-R47 PolarHBondContact N-O 2.88Å; A44-R47 WeakPolarHBondContact O-CB 3.06Å; A44-R47 PolarHBondContact O-N 3.36Å; R47-V49 HydrophobicContact CB-CG2 4.39Å; R47-Y72 CarbonylContact C-O 3.56Å; R47-Y72 VanDerWaalsContact CA-O 3.23Å; R47-Y72 WeakPolarHBondContact CA-O 3.37Å; R47-M73 HydrophobicContact CG-SD 3.66Å; R47-M73 PolarHBondContact NE-SD 3.44Å; R47-M73 VanDerWaalsContact NE-SD 3.36Å
48	L	94.1	Very high	94.8	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.4	157.4	170.6	63.2	0	0	0	108.4	F25 V27 V41 I50 Q71 Y72 I74 W83 V95	F25-L48 HydrophobicContact CE1-CD2 4.37Å; V27-L48 HydrophobicContact CG2-CD2 3.46Å; V27-L48 VanDerWaalsContact CG2-CD2 3.46Å; V41-L48 HydrophobicContact CG1-CD1 3.63Å; L48-I50 HydrophobicContact CD1-CG1 4.43Å; L48-I50 HydrophobicContact CD2-CD1 4.29Å; L48-I50 HydrophobicContact CG-CG1 4.35Å; L48-Q71 CarbonylContact O-C 3.52Å; L48-Q71 VanDerWaalsContact O-CA 3.3Å; L48-Q71 WeakPolarHBondContact O-CA 3.34Å; L48-Y72 HydrophobicContact CD2-CD2 4.29Å; L48-Y72 HydrophobicContact CG-CD2 4.48Å; L48-Y72 PolarHBondContact N-O 2.95Å; L48-Y72 PolarHBondContact O-N 2.77Å; L48-I74 HydrophobicContact CB-CG1 4.44Å; L48-W83 HydrophobicContact CB-CH2 4.23Å; L48-W83 HydrophobicContact CB-CZ3 4.3Å; L48-W83 HydrophobicContact CD1-CZ3 3.98Å; L48-W83 HydrophobicContact CD2-CZ3 4.24Å; L48-W83 HydrophobicContact CG-CZ3 4.4Å; L48-V95 HydrophobicContact CD1-CG1 3.79Å; L48-V95 HydrophobicContact CD2-CB 3.87Å; L48-V95 HydrophobicContact CD2-CG1 3.75Å; L48-V95 HydrophobicContact CG-CG1 4.44Å
49	V	95.2	Very high	94.4	Very high	27 Å²	27	69 Å²	69	16%	0.164	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	177.8	-174.4	0	0	0	0	108.7	K42 A44 R47 T69 R70 Q71	K42-V49 HydrophobicContact CB-CB 4.39Å; K42-V49 PolarHBondContact N-O 2.53Å; K42-V49 PolarHBondContact O-N 2.88Å; A44-V49 HydrophobicContact CB-CG2 4.22Å; R47-V49 HydrophobicContact CB-CG2 4.39Å; V49-T69 HydrophobicContact CG1-CG2 3.95Å; V49-R70 WeakPolarHBondContact CA-O 3.34Å; V49-Q71 HydrophobicContact CG1-CG 4.25Å; V49-Q71 HydrophobicContact CG2-CG 4.13Å
50	I	96.4	Very high	94.1	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	173.6	-61.6	166.9	0	0	0	106.9	V27 V29 I39 E40 V41 L48 F68 T69 R70 Y72 L93 V95	V27-I50 HydrophobicContact CG2-CD1 3.95Å; V29-I50 HydrophobicContact CG2-CD1 3.76Å; I39-I50 HydrophobicContact CG2-CG2 4.33Å; E40-I50 WeakPolarHBondContact O-CA 3.42Å; V41-I50 HydrophobicContact CG1-CG1 4.45Å; V41-I50 HydrophobicContact CG2-CG1 4.4Å; L48-I50 HydrophobicContact CD1-CG1 4.43Å; L48-I50 HydrophobicContact CD2-CD1 4.29Å; L48-I50 HydrophobicContact CG-CG1 4.35Å; I50-F68 HydrophobicContact CG2-CE2 3.93Å; I50-F68 HydrophobicContact CG2-CZ 4.15Å; I50-T69 CarbonylContact O-C 3.57Å; I50-T69 VanDerWaalsContact O-CA 3.31Å; I50-T69 WeakPolarHBondContact O-CA 3.45Å; I50-R70 PolarHBondContact N-O 2.85Å; I50-R70 PolarHBondContact O-N 2.82Å; I50-Y72 HydrophobicContact CD1-CE2 4.18Å; I50-L93 HydrophobicContact CD1-CD2 3.99Å; I50-L93 HydrophobicContact CG1-CD2 4.31Å; I50-L93 HydrophobicContact CG2-CD2 3.77Å; I50-V95 HydrophobicContact CD1-CG2 3.97Å; I50-V95 HydrophobicContact CG1-CG2 4.46Å
51	H	97	Very high	93.9	Very high	48 Å²	48	78 Å²	78	22%	0.222	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.9	175.6	-178.6	73.9	0	0	0	108.5	E40 E67 F68 T69	E40-H51 HydrophobicContact CB-CB 4.44Å; E40-H51 PolarHBondContact N-O 3.48Å; E40-H51 PolarHBondContact O-N 2.86Å; H51-E67 IonicContact CE1-OE1 3.27Å; H51-E67 PolarHBondContact CE1-OE1 3.45Å; H51-E67 VanDerWaalsContact CE1-OE1 3.24Å; H51-E67 IonicContact NE2-OE1 3.76Å; H51-F68 WeakPolarHBondContact CA-O 3.45Å; H51-F68 PolarHBondContact ND1-O 2.87Å; H51-T69 PolarHBondContact ND1-OG1 3.04Å
52	A	97.4	Very high	93.8	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.2	174.3	0	0	0	0	0	109.8	F34 E38 I39 E67 F68	F34-A52 HydrophobicContact CD1-CB 3.63Å; F34-A52 HydrophobicContact CD2-CB 4.15Å; F34-A52 HydrophobicContact CE1-CB 3.7Å; F34-A52 HydrophobicContact CE2-CB 4.24Å; F34-A52 HydrophobicContact CG-CB 3.86Å; F34-A52 HydrophobicContact CZ-CB 4.03Å; E38-A52 CarbonylContact O-C 3.58Å; E38-A52 VanDerWaalsContact O-CA 3.28Å; E38-A52 WeakPolarHBondContact O-CA 3.46Å; I39-A52 HydrophobicContact CG1-CB 4.05Å; A52-E67 CarbonylContact O-C 3.51Å; A52-E67 VanDerWaalsContact O-CA 3.24Å; A52-E67 WeakPolarHBondContact O-CA 3.31Å; A52-F68 HydrophobicContact CB-CD1 3.8Å; A52-F68 HydrophobicContact CB-CE1 3.35Å; A52-F68 HydrophobicContact CB-CE2 4.34Å; A52-F68 HydrophobicContact CB-CG 4.46Å; A52-F68 HydrophobicContact CB-CZ 3.65Å; A52-F68 PolarHBondContact N-O 3.05Å; A52-F68 PolarHBondContact O-N 2.91Å
53	K	98	Very high	93.9	Very high	92 Å²	92	79.2 Å²	79.2	40%	0.4	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	118.2	-177.3	-177.4	177.3	-174.9	130.8	0	110.3	E38 E67	E38-K53 VanDerWaalsContact CB-O 3.31Å; E38-K53 WeakPolarHBondContact CB-O 3.41Å; E38-K53 PolarHBondContact O-N 2.65Å; K53-E67 HydrophobicContact CB-CG 4.08Å; K53-E67 HydrophobicContact CD-CG 4.43Å; K53-E67 WeakPolarHBondContact CD-OE2 3.23Å; K53-E67 VanDerWaalsContact CE-OE2 3.3Å; K53-E67 WeakPolarHBondContact CE-OE2 3.08Å; K53-E67 HydrophobicContact CG-CB 4.36Å; K53-E67 HydrophobicContact CG-CG 4.1Å; K53-E67 IonicContact NZ-OE1 3.77Å; K53-E67 IonicContact NZ-OE2 2.75Å; K53-E67 PolarHBondContact NZ-OE2 3.17Å
54	H	95.6	Very high	94.1	Very high	2 Å²	2	75.5 Å²	75.5	1%	0.009	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.1	165.8	81.9	83.6	0	0	0	109.6	F34 E38 I64 S65 R66	F34-H54 HydrophobicContact CD1-CB 4.07Å; F34-H54 AromaticContact CD1-CD2 3.97Å; F34-H54 HydrophobicContact CE1-CB 4.33Å; F34-H54 AromaticContact CE1-CD2 3.67Å; E38-H54 VanDerWaalsContact CD-CB 3.48Å; E38-H54 HydrophobicContact CG-CB 4.41Å; E38-H54 WeakPolarHBondContact OE2-CB 3.37Å; H54-I64 PolarHBondContact CE1-O 2.84Å; H54-S65 VanDerWaalsContact CE1-C 3.49Å; H54-S65 VanDerWaalsContact CE1-CA 3.44Å; H54-S65 WeakPolarHBondContact CE1-CA 3.23Å; H54-R66 WeakPolarHBondContact CD2-CB 3.31Å; H54-R66 PolarHBondContact CD2-N 2.97Å; H54-R66 PolarHBondContact CE1-N 2.81Å; H54-R66 PolarHBondContact CE1-NH1 2.86Å; H54-R66 PolarHBondContact N-O 3.01Å; H54-R66 WeakPolarHBondContact NE2-CB 3.43Å; H54-R66 WeakPolarHBondContact NE2-CD 3.43Å; H54-R66 WeakPolarHBondContact NE2-CG 3.2Å; H54-R66 PolarHBondContact NE2-N 2.86Å; H54-R66 PolarHBondContact NE2-NH1 2.93Å; H54-R66 PolarHBondContact O-N 3.18Å
55	N	95.9	Very high	94.4	Very high	121 Å²	121	77 Å²	77	65%	0.647	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	171.5	174.1	-67.2	-37.3	0	0	0	110.7	R57	N55-R57 PolarHBondContact O-N 2.93Å
56	E	97.1	Very high	94.8	Very high	139 Å²	139	73.1 Å²	73.1	65%	0.65	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	125.5	176.9	-171.2	173.2	78.4	0	0	111.1	Y63 I64	E56-Y63 HydrophobicContact CG-CD1 4.05Å; E56-Y63 HydrophobicContact CG-CG 4.28Å; E56-I64 WeakPolarHBondContact CA-O 3.44Å
57	R	94.6	Very high	95.1	Very high	85 Å²	85	75.2 Å²	75.2	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.4	172.5	67.1	-179.8	-174.8	-160.6	-4.5	110	H33 N55 Y63 I64	H33-R57 PolarHBondContact O-NH2 2.83Å; N55-R57 PolarHBondContact O-N 2.93Å; R57-Y63 WeakPolarHBondContact O-CA 3.42Å; R57-I64 PolarHBondContact N-O 3.07Å; R57-I64 PolarHBondContact O-N 2.81Å
58	M	94.4	Very high	95.3	Very high	130 Å²	130	71.9 Å²	71.9	64%	0.64	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.1	175.3	-169.2	174	-72.2	0	0	110.6	G62 Y63	M58-G62 CarbonylContact C-O 3.52Å; M58-G62 VanDerWaalsContact CA-O 3.3Å; M58-G62 WeakPolarHBondContact CA-O 3.33Å; M58-Y63 HydrophobicContact CB-CD1 4.47Å; M58-Y63 HydrophobicContact CB-CE1 4.3Å; M58-Y63 HydrophobicContact CE-CE1 4.04Å; M58-Y63 HydrophobicContact CE-CE2 4.27Å; M58-Y63 VanDerWaalsContact CE-OH 3.26Å; M58-Y63 WeakPolarHBondContact CE-OH 3.44Å
59	D	88.5	Confident	95.3	Very high	41 Å²	41	75.4 Å²	75.4	22%	0.219	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	177.7	166.9	83.4	2.3	0	0	0	109.6	H61 G62 I64	D59-H61 PolarHBondContact O-N 2.56Å; D59-H61 WeakPolarHBondContact OD1-CA 3.49Å; D59-H61 PolarHBondContact OD1-N 2.67Å; D59-G62 PolarHBondContact N-O 2.85Å; D59-G62 PolarHBondContact O-N 3.43Å; D59-G62 PolarHBondContact OD1-N 3.36Å; D59-I64 HydrophobicContact CB-CG2 3.79Å; D59-I64 WeakPolarHBondContact OD2-CG2 3.3Å
60	P	92.2	Very high	95.3	Very high	123 Å²	123	76.2 Å²	76.2	80%	0.799	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-13.8	-179	-27.2	36.8	0	0	0	115.9
61	H	92.6	Very high	95.2	Very high	181 Å²	181	81.2 Å²	81.2	84%	0.838	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-1	-174.2	-58.3	-62.1	0	0	0	113.7	D59	D59-H61 PolarHBondContact O-N 2.56Å; D59-H61 WeakPolarHBondContact OD1-CA 3.49Å; D59-H61 PolarHBondContact OD1-N 2.67Å
62	G	95	Very high	95.1	Very high	30 Å²	30	80.5 Å²	80.5	31%	0.309	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.2	-137.3	178.3	0	0	0	0	0	111.7	M58 D59	M58-G62 CarbonylContact C-O 3.52Å; M58-G62 VanDerWaalsContact CA-O 3.3Å; M58-G62 WeakPolarHBondContact CA-O 3.33Å; D59-G62 PolarHBondContact N-O 2.85Å; D59-G62 PolarHBondContact O-N 3.43Å; D59-G62 PolarHBondContact OD1-N 3.36Å
63	Y	95.9	Very high	94.8	Very high	152 Å²	152	85.4 Å²	85.4	60%	0.596	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.1	176.2	-68.8	-90	0	0	0	109.6	E56 R57 M58	E56-Y63 HydrophobicContact CG-CD1 4.05Å; E56-Y63 HydrophobicContact CG-CG 4.28Å; R57-Y63 WeakPolarHBondContact O-CA 3.42Å; M58-Y63 HydrophobicContact CB-CD1 4.47Å; M58-Y63 HydrophobicContact CB-CE1 4.3Å; M58-Y63 HydrophobicContact CE-CE1 4.04Å; M58-Y63 HydrophobicContact CE-CE2 4.27Å; M58-Y63 VanDerWaalsContact CE-OH 3.26Å; M58-Y63 WeakPolarHBondContact CE-OH 3.44Å
64	I	95.4	Very high	94.4	Very high	42 Å²	42	81.8 Å²	81.8	22%	0.215	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136	-178.5	-169.8	147.1	0	0	0	111.5	H54 E56 R57 D59 R66	H54-I64 PolarHBondContact CE1-O 2.84Å; E56-I64 WeakPolarHBondContact CA-O 3.44Å; R57-I64 PolarHBondContact N-O 3.07Å; R57-I64 PolarHBondContact O-N 2.81Å; D59-I64 HydrophobicContact CB-CG2 3.79Å; D59-I64 WeakPolarHBondContact OD2-CG2 3.3Å; I64-R66 HydrophobicContact CD1-CG 4.47Å; I64-R66 HydrophobicContact CG1-CG 4.16Å
65	S	96.2	Very high	94.2	Very high	78 Å²	78	82.8 Å²	82.8	55%	0.545	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.3	162.9	58.4	0	0	0	0	108.5	H54	H54-S65 VanDerWaalsContact CE1-C 3.49Å; H54-S65 VanDerWaalsContact CE1-CA 3.44Å; H54-S65 WeakPolarHBondContact CE1-CA 3.23Å
66	R	95.3	Very high	93.9	Very high	70 Å²	70	86.5 Å²	86.5	26%	0.264	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.3	172.2	-54.5	163.8	-178	83.8	-2.5	108.7	F34 H54 I64	F34-R66 HydrophobicContact CE1-CB 4.27Å; F34-R66 WeakPolarHBondContact CE1-O 3.35Å; F34-R66 HydrophobicContact CZ-CB 3.86Å; H54-R66 WeakPolarHBondContact CD2-CB 3.31Å; H54-R66 PolarHBondContact CD2-N 2.97Å; H54-R66 PolarHBondContact CE1-N 2.81Å; H54-R66 PolarHBondContact CE1-NH1 2.86Å; H54-R66 PolarHBondContact N-O 3.01Å; H54-R66 WeakPolarHBondContact NE2-CB 3.43Å; H54-R66 WeakPolarHBondContact NE2-CD 3.43Å; H54-R66 WeakPolarHBondContact NE2-CG 3.2Å; H54-R66 PolarHBondContact NE2-N 2.86Å; H54-R66 PolarHBondContact NE2-NH1 2.93Å; H54-R66 PolarHBondContact O-N 3.18Å; I64-R66 HydrophobicContact CD1-CG 4.47Å; I64-R66 HydrophobicContact CG1-CG 4.16Å
67	E	97.6	Very high	93.4	Very high	110 Å²	110	83.5 Å²	83.5	51%	0.514	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.7	176	-173.5	171.9	156.4	0	0	108.1	H51 A52 K53	H51-E67 IonicContact CE1-OE1 3.27Å; H51-E67 PolarHBondContact CE1-OE1 3.45Å; H51-E67 VanDerWaalsContact CE1-OE1 3.24Å; H51-E67 IonicContact NE2-OE1 3.76Å; A52-E67 CarbonylContact O-C 3.51Å; A52-E67 VanDerWaalsContact O-CA 3.24Å; A52-E67 WeakPolarHBondContact O-CA 3.31Å; K53-E67 HydrophobicContact CB-CG 4.08Å; K53-E67 HydrophobicContact CD-CG 4.43Å; K53-E67 WeakPolarHBondContact CD-OE2 3.23Å; K53-E67 VanDerWaalsContact CE-OE2 3.3Å; K53-E67 WeakPolarHBondContact CE-OE2 3.08Å; K53-E67 HydrophobicContact CG-CB 4.36Å; K53-E67 HydrophobicContact CG-CG 4.1Å; K53-E67 IonicContact NZ-OE1 3.77Å; K53-E67 IonicContact NZ-OE2 2.75Å; K53-E67 PolarHBondContact NZ-OE2 3.17Å
68	F	96.1	Very high	93	Very high	38 Å²	38	80.4 Å²	80.4	17%	0.167	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.6	170.3	79.9	-104.8	0	0	0	111.2	V29 C31 F34 I50 H51 A52 R70	V29-F68 HydrophobicContact CG1-CE2 4.17Å; V29-F68 HydrophobicContact CG1-CZ 3.8Å; C31-F68 VanDerWaalsContact SG-CZ 3.59Å; F34-F68 HydrophobicContact CD2-CD1 4.49Å; F34-F68 HydrophobicContact CD2-CE1 4.03Å; F34-F68 AromaticContact CE2-CD1 3.59Å; F34-F68 HydrophobicContact CE2-CD1 3.59Å; F34-F68 AromaticContact CE2-CE1 3.55Å; F34-F68 HydrophobicContact CE2-CE1 3.55Å; F34-F68 AromaticContact CZ-CD1 3.62Å; F34-F68 HydrophobicContact CZ-CD1 3.62Å; F34-F68 AromaticContact CZ-CE1 3.97Å; F34-F68 HydrophobicContact CZ-CE1 3.97Å; I50-F68 HydrophobicContact CG2-CE2 3.93Å; I50-F68 HydrophobicContact CG2-CZ 4.15Å; H51-F68 WeakPolarHBondContact CA-O 3.45Å; H51-F68 PolarHBondContact ND1-O 2.87Å; A52-F68 HydrophobicContact CB-CD1 3.8Å; A52-F68 HydrophobicContact CB-CE1 3.35Å; A52-F68 HydrophobicContact CB-CE2 4.34Å; A52-F68 HydrophobicContact CB-CG 4.46Å; A52-F68 HydrophobicContact CB-CZ 3.65Å; A52-F68 PolarHBondContact N-O 3.05Å; A52-F68 PolarHBondContact O-N 2.91Å; F68-R70 HydrophobicContact CD2-CG 3.78Å; F68-R70 HydrophobicContact CE2-CB 4.39Å; F68-R70 HydrophobicContact CE2-CG 3.86Å
69	T	95.6	Very high	92.4	Very high	75 Å²	75	82.9 Å²	82.9	46%	0.46	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.5	165.2	-57	0	0	0	0	109.2	V49 I50 H51 Q71	V49-T69 HydrophobicContact CG1-CG2 3.95Å; I50-T69 CarbonylContact O-C 3.57Å; I50-T69 VanDerWaalsContact O-CA 3.31Å; I50-T69 WeakPolarHBondContact O-CA 3.45Å; H51-T69 PolarHBondContact ND1-OG1 3.04Å; T69-Q71 HydrophobicContact CG2-CG 4.43Å
70	R	94.2	Very high	92.1	Very high	43 Å²	43	84.2 Å²	84.2	16%	0.162	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.5	172.1	-67.6	178.7	-168.3	-153.7	-4.1	109.7	L13 T16 V49 I50 F68 Y72	L13-R70 PolarHBondContact O-NH2 3.24Å; T16-R70 PolarHBondContact OG1-NH1 2.92Å; V49-R70 WeakPolarHBondContact CA-O 3.34Å; I50-R70 PolarHBondContact N-O 2.85Å; I50-R70 PolarHBondContact O-N 2.82Å; F68-R70 HydrophobicContact CD2-CG 3.78Å; F68-R70 HydrophobicContact CE2-CB 4.39Å; F68-R70 HydrophobicContact CE2-CG 3.86Å; R70-Y72 HydrophobicContact CB-CE2 3.79Å; R70-Y72 WeakPolarHBondContact CD-OH 3.37Å
71	Q	94.8	Very high	91.7	Very high	106 Å²	106	83.8 Å²	83.8	50%	0.495	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.5	176.3	-59.6	-172.1	21.8	0	0	109.4	L48 V49 T69	L48-Q71 CarbonylContact O-C 3.52Å; L48-Q71 VanDerWaalsContact O-CA 3.3Å; L48-Q71 WeakPolarHBondContact O-CA 3.34Å; V49-Q71 HydrophobicContact CG1-CG 4.25Å; V49-Q71 HydrophobicContact CG2-CG 4.13Å; T69-Q71 HydrophobicContact CG2-CG 4.43Å
72	Y	93.8	Very high	91.6	Very high	32 Å²	32	78 Å²	78	13%	0.125	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129	175.6	-56.7	-92.9	0	0	0	109.2	T16 V18 F25 V27 V29 R47 L48 I50 R70 I74	T16-Y72 HydrophobicContact CG2-CE1 4.18Å; T16-Y72 WeakPolarHBondContact CG2-OH 3.48Å; V18-Y72 HydrophobicContact CG2-CD1 4.09Å; V18-Y72 HydrophobicContact CG2-CE1 3.84Å; F25-Y72 HydrophobicContact CZ-CG 4.41Å; V27-Y72 HydrophobicContact CB-CE1 4.36Å; V27-Y72 HydrophobicContact CB-CE2 4.28Å; V27-Y72 HydrophobicContact CG1-CD1 3.69Å; V27-Y72 HydrophobicContact CG1-CD2 4.04Å; V27-Y72 HydrophobicContact CG1-CE1 3.86Å; V27-Y72 HydrophobicContact CG1-CE2 4.22Å; V27-Y72 HydrophobicContact CG1-CG 3.79Å; V27-Y72 HydrophobicContact CG2-CD2 4.29Å; V27-Y72 HydrophobicContact CG2-CE2 4.14Å; V29-Y72 HydrophobicContact CG2-CE2 4.31Å; V29-Y72 WeakPolarHBondContact CG2-OH 3.41Å; R47-Y72 CarbonylContact C-O 3.56Å; R47-Y72 VanDerWaalsContact CA-O 3.23Å; R47-Y72 WeakPolarHBondContact CA-O 3.37Å; L48-Y72 HydrophobicContact CD2-CD2 4.29Å; L48-Y72 HydrophobicContact CG-CD2 4.48Å; L48-Y72 PolarHBondContact N-O 2.95Å; L48-Y72 PolarHBondContact O-N 2.77Å; I50-Y72 HydrophobicContact CD1-CE2 4.18Å; R70-Y72 HydrophobicContact CB-CE2 3.79Å; R70-Y72 WeakPolarHBondContact CD-OH 3.37Å; Y72-I74 PolarHBondContact O-N 2.79Å
73	M	92.5	Very high	91.5	Very high	104 Å²	104	79.8 Å²	79.8	51%	0.512	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.7	170.3	-64.7	-64.5	-56.8	0	0	108.6	D46 R47	D46-M73 HydrophobicContact CB-CE 4.33Å; D46-M73 VanDerWaalsContact CG-CE 3.47Å; D46-M73 WeakPolarHBondContact OD2-CE 3.47Å; R47-M73 HydrophobicContact CG-SD 3.66Å; R47-M73 PolarHBondContact NE-SD 3.44Å; R47-M73 VanDerWaalsContact NE-SD 3.36Å
74	I	89.9	Confident	91.3	Very high	16 Å²	16	76.1 Å²	76.1	8%	0.082	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-80.4	127.2	176.9	-57.8	160.5	0	0	0	107.5	R43 D46 L48 Y72 K76 I78 W83	R43-I74 HydrophobicContact CG-CD1 4.31Å; D46-I74 PolarHBondContact O-N 2.87Å; L48-I74 HydrophobicContact CB-CG1 4.44Å; Y72-I74 PolarHBondContact O-N 2.79Å; I74-K76 PolarHBondContact O-N 3.27Å; I74-I78 HydrophobicContact CG2-CD1 4.21Å; I74-W83 HydrophobicContact CD1-CH2 3.49Å; I74-W83 VanDerWaalsContact CD1-CH2 3.49Å; I74-W83 HydrophobicContact CD1-CZ2 3.53Å; I74-W83 HydrophobicContact CG1-CH2 3.93Å; I74-W83 HydrophobicContact CG1-CZ2 4.34Å
75	P	90.6	Very high	91.2	Very high	23 Å²	23	77.3 Å²	77.3	15%	0.149	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-56.8	135.4	175.5	-22.7	31.7	0	0	0	111.9	N20 F25 D77 I78	N20-P75 WeakPolarHBondContact OD1-CG 3.18Å; F25-P75 HydrophobicContact CD2-CG 3.93Å; F25-P75 HydrophobicContact CE2-CG 4.49Å; P75-D77 WeakPolarHBondContact CB-OD1 3.28Å; P75-D77 PolarHBondContact O-N 2.94Å; P75-I78 HydrophobicContact CB-CD1 4.14Å; P75-I78 HydrophobicContact CB-CG1 4.21Å; P75-I78 HydrophobicContact CG-CD1 4Å; P75-I78 PolarHBondContact O-N 3.24Å
76	K	88.7	Confident	91.1	Very high	199 Å²	199	79 Å²	79	87%	0.865	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.1	-176.7	-66.2	-175	178	-177.2	0	113.6	I74 I78	I74-K76 PolarHBondContact O-N 3.27Å; K76-I78 VanDerWaalsContact C-N 3.26Å
77	D	87.3	Confident	91	Very high	76 Å²	76	78.5 Å²	78.5	41%	0.406	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.6	176.2	49.7	-33.9	0	0	0	113.2	P75 Q79	P75-D77 WeakPolarHBondContact CB-OD1 3.28Å; P75-D77 PolarHBondContact O-N 2.94Å; D77-Q79 PolarHBondContact O-N 3.18Å
78	I	86.2	Confident	90.9	Very high	20 Å²	20	74.6 Å²	74.6	10%	0.103	37%	0.371	C	S	.	.			trans	-81.1	105.5	172.9	-58.8	177.5	0	0	0	108.8	F25 I74 P75 K76 E80 V97	F25-I78 HydrophobicContact CB-CD1 3.11Å; F25-I78 HydrophobicContact CG-CD1 4.13Å; I74-I78 HydrophobicContact CG2-CD1 4.21Å; P75-I78 HydrophobicContact CB-CD1 4.14Å; P75-I78 HydrophobicContact CB-CG1 4.21Å; P75-I78 HydrophobicContact CG-CD1 4Å; P75-I78 PolarHBondContact O-N 3.24Å; K76-I78 VanDerWaalsContact C-N 3.26Å; I78-E80 HydrophobicContact CG2-CB 4.3Å; I78-V97 HydrophobicContact CD1-CG1 4Å; I78-V97 HydrophobicContact CG2-CG1 4.05Å; I78-V97 HydrophobicContact CG2-CG2 3.89Å
79	Q	82.6	Confident	90.7	Very high	181 Å²	181	81.6 Å²	81.6	85%	0.846	41%	0.41	S	S	*	.			trans	-86.3	-15.3	177.5	-58.7	-171.9	-53.2	0	0	112.5	D77	D77-Q79 PolarHBondContact O-N 3.18Å
80	E	81.6	Confident	90.6	Very high	69 Å²	69	83.4 Å²	83.4	32%	0.322	42%	0.417	S	S	.	.			trans	-74	145.5	179.7	-55.8	-60.8	162.7	0	0	111.6	I78 V97	I78-E80 HydrophobicContact CG2-CB 4.3Å; E80-V97 HydrophobicContact CB-CG2 4.47Å; E80-V97 WeakPolarHBondContact O-CG2 3.3Å
81	D	84	Confident	90.6	Very high	114 Å²	114	81.6 Å²	81.6	61%	0.61	41%	0.411	S	S	*	.			trans	-120.6	13	172.9	-162.2	17.2	0	0	0	112.1	R43 W83	R43-D81 IonicContact CZ-OD1 3.93Å; R43-D81 IonicContact NH1-OD1 3.27Å; R43-D81 PolarHBondContact NH1-OD1 3.04Å; D81-W83 VanDerWaalsContact O-CD1 3.3Å; D81-W83 PolarHBondContact O-N 2.73Å; D81-W83 PolarHBondContact OD1-NE1 3.42Å
82	T	90.4	Very high	90.6	Very high	60 Å²	60	78.2 Å²	78.2	37%	0.368	40%	0.396	S	S	.	.			trans	-84.2	114.6	173.3	-46.5	0	0	0	0	108.8	V97 G98 F100	T82-V97 WeakPolarHBondContact O-CA 3.42Å; T82-G98 PolarHBondContact O-N 2.8Å; T82-F100 HydrophobicContact CG2-CD2 3.7Å; T82-F100 HydrophobicContact CG2-CE2 4.36Å; T82-F100 WeakPolarHBondContact O-CE2 3.45Å
83	W	92.1	Very high	90.7	Very high	67 Å²	67	77.1 Å²	77.1	25%	0.254	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.6	176.6	-70.3	81.2	0	0	0	110.4	R43 L48 I74 D81 V95 E96 V97	R43-W83 HydrophobicContact CG-CZ2 4.2Å; L48-W83 HydrophobicContact CB-CH2 4.23Å; L48-W83 HydrophobicContact CB-CZ3 4.3Å; L48-W83 HydrophobicContact CD1-CZ3 3.98Å; L48-W83 HydrophobicContact CD2-CZ3 4.24Å; L48-W83 HydrophobicContact CG-CZ3 4.4Å; I74-W83 HydrophobicContact CD1-CH2 3.49Å; I74-W83 VanDerWaalsContact CD1-CH2 3.49Å; I74-W83 HydrophobicContact CD1-CZ2 3.53Å; I74-W83 HydrophobicContact CG1-CH2 3.93Å; I74-W83 HydrophobicContact CG1-CZ2 4.34Å; D81-W83 VanDerWaalsContact O-CD1 3.3Å; D81-W83 PolarHBondContact O-N 2.73Å; D81-W83 PolarHBondContact OD1-NE1 3.42Å; W83-V95 HydrophobicContact CE3-CG1 3.95Å; W83-V95 HydrophobicContact CZ3-CG1 4.06Å; W83-E96 WeakPolarHBondContact CA-O 3.44Å; W83-V97 HydrophobicContact CD2-CB 3.92Å; W83-V97 HydrophobicContact CD2-CG2 4.27Å; W83-V97 HydrophobicContact CE3-CB 3.97Å; W83-V97 HydrophobicContact CH2-CB 4.02Å; W83-V97 HydrophobicContact CH2-CG1 3.97Å; W83-V97 HydrophobicContact CZ2-CB 3.95Å; W83-V97 HydrophobicContact CZ2-CG1 4.18Å; W83-V97 HydrophobicContact CZ2-CG2 4.12Å; W83-V97 HydrophobicContact CZ3-CB 4.02Å; W83-V97 HydrophobicContact CZ3-CG1 4.22Å
84	N	92.8	Very high	90.8	Very high	76 Å²	76	73.7 Å²	73.7	41%	0.406	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.4	169.4	-169	19.3	0	0	0	109.5	E96 F100	N84-E96 HydrophobicContact CB-CG 4.17Å; N84-E96 PolarHBondContact N-O 3.02Å; N84-E96 PolarHBondContact O-N 3Å; N84-F100 HydrophobicContact CB-CD2 4.15Å; N84-F100 HydrophobicContact CB-CE1 4.26Å; N84-F100 HydrophobicContact CB-CE2 3.62Å; N84-F100 HydrophobicContact CB-CZ 3.71Å
85	S	92.7	Very high	91	Very high	66 Å²	66	73 Å²	73	46%	0.462	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.6	172	63.9	0	0	0	0	110.5	T94	S85-T94 CarbonylContact C-O 3.55Å; S85-T94 VanDerWaalsContact CA-O 3.23Å; S85-T94 WeakPolarHBondContact CA-O 3.31Å
86	H	93.7	Very high	91.1	Very high	115 Å²	115	73.7 Å²	73.7	53%	0.532	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.2	179.4	172.1	-91.9	0	0	0	109.4	T94	H86-T94 PolarHBondContact N-O 3.41Å; H86-T94 PolarHBondContact O-N 2.92Å
87	F	94.8	Very high	91.3	Very high	59 Å²	59	64.2 Å²	64.2	26%	0.259	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.8	174.7	-176.6	-112.7	0	0	0	109.3	C31 P36 I39 G91 L93	C31-F87 HydrophobicContact CB-CE2 3.77Å; P36-F87 HydrophobicContact CB-CD1 4.44Å; P36-F87 HydrophobicContact CG-CD1 3.72Å; P36-F87 HydrophobicContact CG-CE1 3.9Å; I39-F87 HydrophobicContact CD1-CD2 4.26Å; I39-F87 HydrophobicContact CD1-CE2 4.04Å; I39-F87 HydrophobicContact CD1-CZ 4.43Å; F87-G91 VanDerWaalsContact CE2-C 3.45Å; F87-G91 WeakPolarHBondContact CE2-O 3.01Å; F87-L93 HydrophobicContact CB-CD1 4.46Å; F87-L93 HydrophobicContact CD2-CB 4.15Å
88	S	93.8	Very high	91.4	Very high	28 Å²	28	60.6 Å²	60.6	20%	0.196	32%	0.315	C	S	.	.			trans	-82.4	158.4	-176.8	50.1	0	0	0	0	112.5	N90 G91 I92	S88-N90 VanDerWaalsContact CB-OD1 3.31Å; S88-N90 WeakPolarHBondContact CB-OD1 2.88Å; S88-N90 PolarHBondContact O-N 3.07Å; S88-N90 PolarHBondContact OG-OD1 3.21Å; S88-G91 PolarHBondContact O-N 3.21Å; S88-I92 PolarHBondContact N-O 2.74Å; S88-I92 PolarHBondContact OG-N 2.89Å; S88-I92 PolarHBondContact OG-O 2.65Å
89	N	93.7	Very high	91.3	Very high	185 Å²	185	63.3 Å²	63.3	99%	0.989	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.9	-179.7	-66	-18.2	0	0	0	114.6	G91	N89-G91 VanDerWaalsContact C-N 3.31Å
90	N	92.3	Very high	91.2	Very high	113 Å²	113	57.2 Å²	57.2	60%	0.604	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	6.9	174.1	67.6	-11.7	0	0	0	113.3	S88 I92	S88-N90 VanDerWaalsContact CB-OD1 3.31Å; S88-N90 WeakPolarHBondContact CB-OD1 2.88Å; S88-N90 PolarHBondContact O-N 3.07Å; S88-N90 PolarHBondContact OG-OD1 3.21Å; N90-I92 PolarHBondContact OD1-N 3.33Å
91	G	94.2	Very high	90.6	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	33%	0.325	C	S	.	.	S	Bend	trans	86.2	14.2	174.8	0	0	0	0	0	115.2	C31 S32 F87 S88 N89	C31-G91 CarbonylContact C-O 3.58Å; C31-G91 WeakPolarHBondContact CA-O 3.2Å; C31-G91 PolarHBondContact N-O 3.24Å; S32-G91 PolarHBondContact N-O 2.92Å; S32-G91 VanDerWaalsContact N-O 3.07Å; F87-G91 VanDerWaalsContact CE2-C 3.45Å; F87-G91 WeakPolarHBondContact CE2-O 3.01Å; S88-G91 PolarHBondContact O-N 3.21Å; N89-G91 VanDerWaalsContact C-N 3.31Å
92	I	95.2	Very high	89.3	Confident	35 Å²	35	64.4 Å²	64.4	18%	0.179	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.9	177.5	-54.3	-56.2	0	0	0	109.6	N28 D30 S88 N90	N28-I92 HydrophobicContact CB-CG2 3.95Å; D30-I92 HydrophobicContact CB-CD1 4.13Å; S88-I92 PolarHBondContact N-O 2.74Å; S88-I92 PolarHBondContact OG-N 2.89Å; S88-I92 PolarHBondContact OG-O 2.65Å; N90-I92 PolarHBondContact OD1-N 3.33Å
93	L	95.8	Very high	87.4	Confident	9 Å²	9	68.2 Å²	68.2	5%	0.047	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.6	167.2	177.1	72.4	0	0	0	108.9	N28 V29 C31 I39 V41 I50 F87 V95	N28-L93 CarbonylContact C-O 3.18Å; N28-L93 WeakPolarHBondContact CA-O 3.3Å; V29-L93 HydrophobicContact CB-CB 4.47Å; V29-L93 PolarHBondContact N-O 2.74Å; V29-L93 PolarHBondContact O-N 2.74Å; C31-L93 HydrophobicContact CB-CB 4.46Å; I39-L93 HydrophobicContact CG2-CD2 3.86Å; V41-L93 HydrophobicContact CG2-CD2 3.93Å; I50-L93 HydrophobicContact CD1-CD2 3.99Å; I50-L93 HydrophobicContact CG1-CD2 4.31Å; I50-L93 HydrophobicContact CG2-CD2 3.77Å; F87-L93 HydrophobicContact CB-CD1 4.46Å; F87-L93 HydrophobicContact CD2-CB 4.15Å; L93-V95 HydrophobicContact CD1-CG2 4.28Å; L93-V95 HydrophobicContact CD2-CG2 3.9Å; L93-V95 HydrophobicContact CG-CG2 3.89Å
94	T	94	Very high	84.5	Confident	32 Å²	32	73.1 Å²	73.1	20%	0.196	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.1	167	-58.3	0	0	0	0	108.5	V27 N28 S85 H86 E96	V27-T94 WeakPolarHBondContact O-CA 3.29Å; N28-T94 WeakPolarHBondContact OD1-CB 3.1Å; N28-T94 WeakPolarHBondContact OD1-CG2 3.13Å; N28-T94 PolarHBondContact OD1-OG1 2.94Å; S85-T94 CarbonylContact C-O 3.55Å; S85-T94 VanDerWaalsContact CA-O 3.23Å; S85-T94 WeakPolarHBondContact CA-O 3.31Å; H86-T94 PolarHBondContact N-O 3.41Å; H86-T94 PolarHBondContact O-N 2.92Å; T94-E96 HydrophobicContact CG2-CG 4.47Å
95	V	94.9	Very high	84.1	Confident	2 Å²	2	73 Å²	73	1%	0.012	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.6	169.5	-173.7	0	0	0	0	108.2	A26 V27 V41 L48 I50 W83 L93	A26-V95 CarbonylContact C-O 3.53Å; A26-V95 VanDerWaalsContact CA-O 3.29Å; A26-V95 WeakPolarHBondContact CA-O 3.46Å; V27-V95 HydrophobicContact CG2-CB 4Å; V27-V95 PolarHBondContact N-O 2.81Å; V27-V95 PolarHBondContact O-N 3Å; V41-V95 HydrophobicContact CG1-CG1 3.95Å; V41-V95 HydrophobicContact CG1-CG2 3.93Å; V41-V95 HydrophobicContact CG2-CG2 4.12Å; L48-V95 HydrophobicContact CD1-CG1 3.79Å; L48-V95 HydrophobicContact CD2-CB 3.87Å; L48-V95 HydrophobicContact CD2-CG1 3.75Å; L48-V95 HydrophobicContact CG-CG1 4.44Å; I50-V95 HydrophobicContact CD1-CG2 3.97Å; I50-V95 HydrophobicContact CG1-CG2 4.46Å; W83-V95 HydrophobicContact CE3-CG1 3.95Å; W83-V95 HydrophobicContact CZ3-CG1 4.06Å; L93-V95 HydrophobicContact CD1-CG2 4.28Å; L93-V95 HydrophobicContact CD2-CG2 3.9Å; L93-V95 HydrophobicContact CG-CG2 3.89Å
96	E	92.7	Very high	83.7	Confident	36 Å²	36	73.3 Å²	73.3	17%	0.168	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.7	-175	47.5	172.2	-170.1	0	0	112.7	F25 A26 W83 N84 T94 F100	F25-E96 CarbonylContact O-C 3.49Å; F25-E96 WeakPolarHBondContact O-CA 3.3Å; A26-E96 HydrophobicContact CB-CB 3.68Å; W83-E96 WeakPolarHBondContact CA-O 3.44Å; N84-E96 HydrophobicContact CB-CG 4.17Å; N84-E96 PolarHBondContact N-O 3.02Å; N84-E96 PolarHBondContact O-N 3Å; T94-E96 HydrophobicContact CG2-CG 4.47Å; E96-F100 HydrophobicContact CB-CZ 4.07Å; E96-F100 HydrophobicContact CG-CE1 3.91Å; E96-F100 HydrophobicContact CG-CZ 3.54Å; E96-F100 WeakPolarHBondContact OE1-CE1 3.24Å
97	V	92	Very high	83.1	Confident	0 Å²	0	71 Å²	71	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.6	172.9	57.6	0	0	0	0	108.2	R24 F25 I78 E80 T82 W83	R24-V97 CarbonylContact C-O 3.58Å; R24-V97 VanDerWaalsContact CA-O 3.28Å; R24-V97 WeakPolarHBondContact CA-O 3.39Å; F25-V97 HydrophobicContact CB-CG1 3.78Å; F25-V97 HydrophobicContact CD1-CG1 4.13Å; F25-V97 HydrophobicContact CG-CG1 4.44Å; F25-V97 PolarHBondContact N-O 3.33Å; F25-V97 PolarHBondContact O-N 3.22Å; I78-V97 HydrophobicContact CD1-CG1 4Å; I78-V97 HydrophobicContact CG2-CG1 4.05Å; I78-V97 HydrophobicContact CG2-CG2 3.89Å; E80-V97 HydrophobicContact CB-CG2 4.47Å; E80-V97 WeakPolarHBondContact O-CG2 3.3Å; T82-V97 WeakPolarHBondContact O-CA 3.42Å; W83-V97 HydrophobicContact CD2-CB 3.92Å; W83-V97 HydrophobicContact CD2-CG2 4.27Å; W83-V97 HydrophobicContact CE3-CB 3.97Å; W83-V97 HydrophobicContact CH2-CB 4.02Å; W83-V97 HydrophobicContact CH2-CG1 3.97Å; W83-V97 HydrophobicContact CZ2-CB 3.95Å; W83-V97 HydrophobicContact CZ2-CG1 4.18Å; W83-V97 HydrophobicContact CZ2-CG2 4.12Å; W83-V97 HydrophobicContact CZ3-CB 4.02Å; W83-V97 HydrophobicContact CZ3-CG1 4.22Å
98	G	89.9	Confident	82.4	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.01	41%	0.414	C	S	.	.	S	Bend	trans	162.2	-176.8	-179.2	0	0	0	0	0	112.7	N23 T82 F100	N23-G98 VanDerWaalsContact O-CA 3.3Å; N23-G98 WeakPolarHBondContact O-CA 3.45Å; T82-G98 PolarHBondContact O-N 2.8Å; G98-F100 WeakPolarHBondContact O-CD2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.26Å; G98-F100 PolarHBondContact O-N 2.88Å; G98-F100 VanDerWaalsContact O-N 3.13Å
99	P	83.6	Confident	81.7	Confident	76 Å²	76	74.4 Å²	74.4	49%	0.494	43%	0.428	S	S	.	.			trans	-76.2	103.5	179	30.5	-31.9	0	0	0	109.4	N23	N23-P99 VanDerWaalsContact O-CD 3.23Å; N23-P99 WeakPolarHBondContact O-CD 3.36Å
100	F	80.4	Confident	80.9	Confident	54 Å²	54	67.1 Å²	67.1	24%	0.237	39%	0.39	C	S	.	.			trans	-89.4	133.7	168.5	-56.5	-67.2	0	0	0	109	T82 N84 E96 G98 Y102	T82-F100 HydrophobicContact CG2-CD2 3.7Å; T82-F100 HydrophobicContact CG2-CE2 4.36Å; T82-F100 WeakPolarHBondContact O-CE2 3.45Å; N84-F100 HydrophobicContact CB-CD2 4.15Å; N84-F100 HydrophobicContact CB-CE1 4.26Å; N84-F100 HydrophobicContact CB-CE2 3.62Å; N84-F100 HydrophobicContact CB-CZ 3.71Å; E96-F100 HydrophobicContact CB-CZ 4.07Å; E96-F100 HydrophobicContact CG-CE1 3.91Å; E96-F100 HydrophobicContact CG-CZ 3.54Å; E96-F100 WeakPolarHBondContact OE1-CE1 3.24Å; G98-F100 WeakPolarHBondContact O-CD2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.26Å; G98-F100 PolarHBondContact O-N 2.88Å; G98-F100 VanDerWaalsContact O-N 3.13Å; F100-Y102 PolarHBondContact O-N 3.24Å
101	P	70.3	Confident	80.1	Confident	116 Å²	116	63.8 Å²	63.8	75%	0.753	38%	0.375	S	S	*	.			trans	-60.1	118.1	165.4	25.9	-30.3	0	0	0	107.2	V103	P101-V103 PolarHBondContact O-N 2.75Å
102	Y	55.3	Low	79	Confident	217 Å²	217	68.3 Å²	68.3	85%	0.851	40%	0.4	S	S	*	.			trans	-50.6	115.1	172.1	-101.2	-91.1	0	0	0	108.3	F100 A104	F100-Y102 PolarHBondContact O-N 3.24Å; Y102-A104 PolarHBondContact O-N 2.98Å
103	V	50.2	Low	77.7	Confident	140 Å²	140	71.1 Å²	71.1	85%	0.848	42%	0.419	S	S	*	.			trans	-78.2	112.2	154.8	-92.2	0	0	0	0	105.9	P101	P101-V103 PolarHBondContact O-N 2.75Å
104	A	33	Very low	76	Confident	170 Å²	170	76.7 Å²	76.7	100%	1.405	45%	0.452	S	S	*	.			trans	-61.5	0	169.4	0	0	0	0	0	111.4	Y102	Y102-A104 PolarHBondContact O-N 2.98Å

Retrieved 104 of 104 residues in 28.4 ms (Link to these results)

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