A0A077ZG56_TRITR Loading...

Ubiquitin modifier

AlphaFold DB , UniProt , Accession A0A077ZG56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 aa.

						>A0A077ZG56_TRITR|A0A077ZG56
MDPLKGTESVSSGDDSYLITIEDSANGEKVRVKVCGNTEMYKVFKAFCNKSNRNMDGVRFMYNGKRIDGKETAVSLGLDKQADITAASVQIGGAS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	45.6	Very low	232 Å²	232	130.1 Å²	130.1	100%	1.143	73%	0.73	S	S	*	*				0	86.7	0	-76.1	-71.6	167.7	0	0	106
2	D	45.8	Very low	45.8	Very low	140 Å²	140	129.8 Å²	129.8	75%	0.749	74%	0.742	S	S	*	*			trans	-70.9	121	-161.8	-51.2	-94.9	0	0	0	110.6	L4	D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.96Å
3	P	44.3	Very low	46.5	Very low	124 Å²	124	122.6 Å²	122.6	81%	0.805	71%	0.714	S	S	*	*			trans	-74.5	90.4	173.8	30.3	-32.5	0	0	0	108.4	K5	P3-K5 PolarHBondContact O-N 2.79Å
4	L	47.1	Very low	47.8	Very low	124 Å²	124	125.4 Å²	125.4	65%	0.649	73%	0.725	S	S	*	*			trans	-66.8	109.2	177.2	-77.8	168.3	0	0	0	110	D2 G6	D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.96Å; L4-G6 PolarHBondContact O-N 3.24Å
5	K	41.5	Very low	49.7	Very low	202 Å²	202	123.4 Å²	123.4	88%	0.878	71%	0.711	S	S	*	*			trans	-62.5	84.8	176.3	-168.8	149.7	65.8	-171.7	0	110.2	P3 T7	P3-K5 PolarHBondContact O-N 2.79Å; K5-T7 PolarHBondContact O-N 2.86Å
6	G	49.7	Very low	51.9	Low	39 Å²	39	117.5 Å²	117.5	40%	0.402	68%	0.679	S	S	.	*			trans	-76.1	98.7	174.1	0	0	0	0	0	111	L4	L4-G6 PolarHBondContact O-N 3.24Å
7	T	41.2	Very low	54.1	Low	102 Å²	102	112.6 Å²	112.6	63%	0.626	65%	0.647	S	S	*	*			trans	-58.6	154.8	176.2	176.8	0	0	0	0	113.4	K5	K5-T7 PolarHBondContact O-N 2.86Å
8	E	43	Very low	56.3	Low	161 Å²	161	108.8 Å²	108.8	75%	0.752	62%	0.624	S	S	*	*			trans	-98.7	119.9	-172.7	-57.4	167.1	92.5	0	0	110.2
9	S	43.6	Very low	58.2	Low	94 Å²	94	103.1 Å²	103.1	66%	0.657	59%	0.591	S	S	*	*			trans	-155.3	116.7	151.4	-89.6	0	0	0	0	114.1	K42	S9-K42 VanDerWaalsContact C-CE 3.5Å; S9-K42 VanDerWaalsContact CA-NZ 3.33Å; S9-K42 VanDerWaalsContact N-CE 3.28Å; S9-K42 WeakPolarHBondContact O-CE 3.45Å; S9-K42 PolarHBondContact O-NZ 2.71Å
10	V	49.2	Very low	59.9	Low	135 Å²	135	98.9 Å²	98.9	82%	0.818	57%	0.567	S	S	*	*			trans	-88.9	115.9	175.6	176	0	0	0	0	105.2	K42	V10-K42 VanDerWaalsContact N-NZ 3.12Å
11	S	50.6	Low	61.5	Low	78 Å²	78	94.1 Å²	94.1	55%	0.545	54%	0.54	S	S	.	.			trans	-116.2	126.1	176.7	-167.6	0	0	0	0	110.9	C35	S11-C35 WeakPolarHBondContact O-CB 3.28Å
12	S	47.9	Very low	63.8	Low	126 Å²	126	86.3 Å²	86.3	88%	0.881	50%	0.501	S	S	*	.			trans	-93.4	110.4	-177.2	-164	0	0	0	0	107.8
13	G	55.7	Low	65.9	Low	37 Å²	37	79.7 Å²	79.7	38%	0.381	47%	0.465	S	S	.	.			trans	-146.5	152.2	175.4	0	0	0	0	0	109.9	D15	G13-D15 PolarHBondContact O-N 2.85Å; G13-D15 VanDerWaalsContact O-N 3.12Å
14	D	64.7	Low	67.9	Low	161 Å²	161	77.6 Å²	77.6	86%	0.861	45%	0.454	S	S	*	.	S	Bend	trans	-54.5	-30.4	-179.3	-143.9	-105.6	0	0	0	111.7	S16	D14-S16 PolarHBondContact O-N 3.42Å; D14-S16 PolarHBondContact O-OG 2.92Å
15	D	76.2	Confident	69.7	Low	96 Å²	96	75 Å²	75	51%	0.513	45%	0.45	S	S	.	.			trans	-74.7	64	170.3	-69.7	-68	0	0	0	113.9	G13 G36 K80	G13-D15 PolarHBondContact O-N 2.85Å; G13-D15 VanDerWaalsContact O-N 3.12Å; D15-G36 PolarHBondContact O-N 3.29Å; D15-G36 VanDerWaalsContact O-N 3.16Å; D15-K80 IonicContact OD1-NZ 2.67Å; D15-K80 PolarHBondContact OD1-NZ 3.21Å
16	S	84.6	Confident	71.7	Confident	29 Å²	29	71.3 Å²	71.3	20%	0.203	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.1	174.9	47.6	0	0	0	0	111.6	D14 K33 V34	D14-S16 PolarHBondContact O-N 3.42Å; D14-S16 PolarHBondContact O-OG 2.92Å; S16-K33 WeakPolarHBondContact OG-CE 3.45Å; S16-K33 PolarHBondContact OG-NZ 3.44Å; S16-V34 CarbonylContact C-O 3.52Å; S16-V34 WeakPolarHBondContact CA-O 3.2Å
17	Y	90	Very high	73.5	Confident	35 Å²	35	71.9 Å²	71.9	14%	0.137	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.7	179.3	-69.4	-112.7	0	0	0	108.1	K33 V34 A73 V74 L78 D79 K80	Y17-K33 CarbonylContact O-C 3.4Å; Y17-K33 WeakPolarHBondContact O-CA 3.19Å; Y17-V34 PolarHBondContact N-O 2.53Å; Y17-V34 PolarHBondContact O-N 2.71Å; Y17-A73 HydrophobicContact CD1-CB 3.83Å; Y17-A73 HydrophobicContact CE1-CB 4.18Å; Y17-A73 HydrophobicContact CG-CB 4.02Å; Y17-V74 HydrophobicContact CE2-CG2 4.43Å; Y17-L78 VanDerWaalsContact CE1-O 3.3Å; Y17-L78 WeakPolarHBondContact CE1-O 3.44Å; Y17-D79 WeakPolarHBondContact CD1-O 3.39Å; Y17-K80 WeakPolarHBondContact CA-O 2.99Å
18	L	92.4	Very high	75.7	Confident	43 Å²	43	70.9 Å²	70.9	23%	0.225	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	99.4	-173.3	-169.3	45.8	0	0	0	108.3	R31 K33 K80 Q81 A82	L18-R31 HydrophobicContact CD1-CG 3.62Å; L18-R31 HydrophobicContact CG-CG 4.1Å; L18-R31 VanDerWaalsContact CG-CZ 3.41Å; L18-R31 VanDerWaalsContact CG-NE 3.29Å; L18-K33 HydrophobicContact CD1-CB 4.01Å; L18-K33 HydrophobicContact CD1-CG 4.48Å; L18-K80 WeakPolarHBondContact CB-O 3.39Å; L18-K80 PolarHBondContact N-O 2.87Å; L18-Q81 WeakPolarHBondContact O-CA 3.38Å; L18-A82 PolarHBondContact O-N 3.4Å
19	I	92.1	Very high	78	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119	-172.2	-46.5	-59.7	0	0	0	108.4	I21 R31 V32 V34 M40 V43 L78 A82 I84	I19-I21 HydrophobicContact CG2-CG1 4.25Å; I19-R31 CarbonylContact O-C 3.53Å; I19-R31 WeakPolarHBondContact O-CA 3.39Å; I19-V32 PolarHBondContact N-O 2.84Å; I19-V32 PolarHBondContact O-N 2.8Å; I19-V34 HydrophobicContact CG1-CG2 3.91Å; I19-M40 HydrophobicContact CD1-SD 4.37Å; I19-M40 HydrophobicContact CG1-SD 4.39Å; I19-V43 HydrophobicContact CB-CG1 3.84Å; I19-V43 HydrophobicContact CG1-CG1 4.32Å; I19-V43 HydrophobicContact CG1-CG2 4.32Å; I19-V43 HydrophobicContact CG2-CG1 3.85Å; I19-L78 HydrophobicContact CD1-CD1 4.22Å; I19-A82 CarbonylContact C-O 3.59Å; I19-A82 WeakPolarHBondContact CA-O 3.29Å; I19-A82 HydrophobicContact CD1-CB 3.72Å; I19-I84 HydrophobicContact CG2-CD1 3.35Å; I19-I84 HydrophobicContact CG2-CG1 3.78Å
20	T	93.9	Very high	80.2	Confident	19 Å²	19	65.7 Å²	65.7	12%	0.117	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.6	171.9	-49	0	0	0	0	108	K29 V30 A82 D83 I84	T20-K29 HydrophobicContact CG2-CB 4.49Å; T20-V30 CarbonylContact C-O 3.57Å; T20-A82 PolarHBondContact N-O 3.26Å; T20-D83 VanDerWaalsContact CB-OD1 3.31Å; T20-D83 WeakPolarHBondContact CB-OD1 3.32Å; T20-D83 CarbonylContact O-C 3.55Å; T20-D83 WeakPolarHBondContact O-CA 3.3Å; T20-D83 PolarHBondContact OG1-OD1 2.91Å; T20-I84 PolarHBondContact O-N 3.22Å
21	I	93	Very high	82.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.8	174	-60.8	169.1	0	0	0	108.1	I19 K29 V30 V43 F44 F47 F60 I84 A86	I19-I21 HydrophobicContact CG2-CG1 4.25Å; I21-K29 CarbonylContact O-C 3.58Å; I21-K29 WeakPolarHBondContact O-CA 3.45Å; I21-V30 PolarHBondContact N-O 2.8Å; I21-V30 PolarHBondContact O-N 2.95Å; I21-V43 HydrophobicContact CD1-CB 4.46Å; I21-V43 HydrophobicContact CD1-CG1 3.57Å; I21-V43 HydrophobicContact CG1-CG1 4.38Å; I21-F44 HydrophobicContact CD1-CD1 3.97Å; I21-F44 HydrophobicContact CD1-CE1 4.47Å; I21-F47 HydrophobicContact CB-CB 4.47Å; I21-F47 HydrophobicContact CB-CD2 3.89Å; I21-F47 HydrophobicContact CB-CE2 4.31Å; I21-F47 HydrophobicContact CB-CG 4.15Å; I21-F47 HydrophobicContact CD1-CB 3.55Å; I21-F47 HydrophobicContact CD1-CG 4.04Å; I21-F47 HydrophobicContact CG2-CB 4.43Å; I21-F47 HydrophobicContact CG2-CD1 3.93Å; I21-F47 HydrophobicContact CG2-CD2 3.59Å; I21-F47 HydrophobicContact CG2-CE1 4.01Å; I21-F47 HydrophobicContact CG2-CE2 3.67Å; I21-F47 HydrophobicContact CG2-CG 3.71Å; I21-F47 HydrophobicContact CG2-CZ 3.88Å; I21-F60 HydrophobicContact CD1-CE1 4.21Å; I21-F60 HydrophobicContact CG2-CD1 4.2Å; I21-F60 HydrophobicContact CG2-CE1 4Å; I21-I84 CarbonylContact C-O 3.59Å; I21-I84 VanDerWaalsContact CA-O 3.22Å; I21-I84 WeakPolarHBondContact CA-O 3.17Å; I21-I84 HydrophobicContact CG1-CB 4.14Å; I21-I84 HydrophobicContact CG1-CG2 4.45Å; I21-A86 HydrophobicContact CG2-CB 3.72Å
22	E	92.7	Very high	84.1	Confident	68 Å²	68	63.4 Å²	63.4	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	173.7	-178.9	-175.3	96.6	0	0	110.3	S24 E28 K29 I84 T85 A86	E22-S24 PolarHBondContact O-N 2.84Å; E22-E28 CarbonylContact C-O 3.59Å; E22-E28 WeakPolarHBondContact CA-O 3.46Å; E22-K29 HydrophobicContact CB-CG 4.03Å; E22-K29 HydrophobicContact CG-CD 4.47Å; E22-K29 HydrophobicContact CG-CG 3.89Å; E22-K29 WeakPolarHBondContact OE2-CE 3.49Å; E22-K29 IonicContact OE2-NZ 3.27Å; E22-K29 PolarHBondContact OE2-NZ 2.83Å; E22-I84 PolarHBondContact N-O 3.02Å; E22-T85 CarbonylContact O-C 3.52Å; E22-T85 VanDerWaalsContact O-CA 3.3Å; E22-T85 WeakPolarHBondContact O-CA 3.12Å; E22-A86 PolarHBondContact O-N 3.18Å
23	D	90.4	Very high	86.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.3	171.7	-172	-128.4	0	0	0	110.9	A25 N26 G27 E28 F47 R53 A86	D23-A25 PolarHBondContact O-N 3.37Å; D23-N26 WeakPolarHBondContact OD1-CB 3.18Å; D23-N26 PolarHBondContact OD1-N 2.67Å; D23-G27 WeakPolarHBondContact O-CA 3.48Å; D23-G27 PolarHBondContact O-N 3.33Å; D23-E28 HydrophobicContact CB-CB 4.12Å; D23-E28 PolarHBondContact N-O 2.76Å; D23-F47 HydrophobicContact CB-CZ 4.18Å; D23-R53 IonicContact OD1-CZ 3.41Å; D23-R53 IonicContact OD1-NH1 2.62Å; D23-R53 PolarHBondContact OD1-NH1 3.28Å; D23-R53 VanDerWaalsContact OD1-NH1 3.09Å; D23-R53 IonicContact OD1-NH2 2.8Å; D23-R53 PolarHBondContact OD1-NH2 2.96Å; D23-R53 IonicContact OD2-CZ 3.7Å; D23-R53 IonicContact OD2-NH1 3.09Å; D23-R53 PolarHBondContact OD2-NH1 3.41Å; D23-R53 IonicContact OD2-NH2 3.86Å; D23-A86 WeakPolarHBondContact CA-O 3.47Å
24	S	86.4	Confident	87.7	Confident	81 Å²	81	63.7 Å²	63.7	57%	0.566	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.9	179.2	-175.2	0	0	0	0	112.9	E22 A86	E22-S24 PolarHBondContact O-N 2.84Å; S24-A86 PolarHBondContact N-O 2.76Å
25	A	84.3	Confident	88.7	Confident	69 Å²	69	56.8 Å²	56.8	57%	0.57	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-41.6	-178	0	0	0	0	0	112.4	D23	D23-A25 PolarHBondContact O-N 3.37Å
26	N	84.8	Confident	89	Confident	125 Å²	125	52.3 Å²	52.3	67%	0.668	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-4.4	-172.5	-141.3	88.5	0	0	0	113.8	D23 E28	D23-N26 WeakPolarHBondContact OD1-CB 3.18Å; D23-N26 PolarHBondContact OD1-N 2.67Å; N26-E28 PolarHBondContact O-N 3.09Å
27	G	86.4	Confident	89	Confident	51 Å²	51	57.1 Å²	57.1	53%	0.526	31%	0.307	S	S	.	.			trans	72.6	10.3	-177.2	0	0	0	0	0	114.7	D23	D23-G27 WeakPolarHBondContact O-CA 3.48Å; D23-G27 PolarHBondContact O-N 3.33Å
28	E	88.2	Confident	88.7	Confident	81 Å²	81	56.1 Å²	56.1	38%	0.379	30%	0.304	S	S	.	.			trans	-72.7	134.3	-178.4	-176.1	177.4	88.8	0	0	111.2	E22 D23 N26 S51	E22-E28 CarbonylContact C-O 3.59Å; E22-E28 WeakPolarHBondContact CA-O 3.46Å; D23-E28 HydrophobicContact CB-CB 4.12Å; D23-E28 PolarHBondContact N-O 2.76Å; N26-E28 PolarHBondContact O-N 3.09Å; E28-S51 VanDerWaalsContact OE1-CB 3.28Å; E28-S51 WeakPolarHBondContact OE1-CB 3.39Å; E28-S51 PolarHBondContact OE1-OG 3.21Å
29	K	90.3	Very high	88.6	Confident	136 Å²	136	57.3 Å²	57.3	59%	0.591	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.7	178.4	-60.4	-178.2	-168.3	-143.1	0	111	T20 I21 E22	T20-K29 HydrophobicContact CG2-CB 4.49Å; I21-K29 CarbonylContact O-C 3.58Å; I21-K29 WeakPolarHBondContact O-CA 3.45Å; E22-K29 HydrophobicContact CB-CG 4.03Å; E22-K29 HydrophobicContact CG-CD 4.47Å; E22-K29 HydrophobicContact CG-CG 3.89Å; E22-K29 WeakPolarHBondContact OE2-CE 3.49Å; E22-K29 IonicContact OE2-NZ 3.27Å; E22-K29 PolarHBondContact OE2-NZ 2.83Å
30	V	91.4	Very high	88.4	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.055	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.5	175.3	-179.1	0	0	0	0	109.6	T20 I21 V32 F47 K50	T20-V30 CarbonylContact C-O 3.57Å; I21-V30 PolarHBondContact N-O 2.8Å; I21-V30 PolarHBondContact O-N 2.95Å; V30-V32 HydrophobicContact CG1-CG2 3.95Å; V30-F47 HydrophobicContact CB-CD2 3.79Å; V30-F47 HydrophobicContact CB-CE2 4.45Å; V30-F47 HydrophobicContact CG2-CD2 3.65Å; V30-F47 HydrophobicContact CG2-CE2 4.01Å; V30-K50 HydrophobicContact CG1-CD 3.91Å; V30-K50 HydrophobicContact CG2-CD 4.43Å
31	R	91.1	Very high	88.2	Confident	134 Å²	134	60.1 Å²	60.1	51%	0.506	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	177.4	-159	177.2	-165.7	-148.8	6	110.6	L18 I19	L18-R31 HydrophobicContact CD1-CG 3.62Å; L18-R31 HydrophobicContact CG-CG 4.1Å; L18-R31 VanDerWaalsContact CG-CZ 3.41Å; L18-R31 VanDerWaalsContact CG-NE 3.29Å; I19-R31 CarbonylContact O-C 3.53Å; I19-R31 WeakPolarHBondContact O-CA 3.39Å
32	V	90.5	Very high	87.8	Confident	32 Å²	32	62.3 Å²	62.3	19%	0.194	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.7	-178.7	-171.3	0	0	0	0	109.2	I19 V30 V34 V43	I19-V32 PolarHBondContact N-O 2.84Å; I19-V32 PolarHBondContact O-N 2.8Å; V30-V32 HydrophobicContact CG1-CG2 3.95Å; V32-V34 HydrophobicContact CG1-CG1 3.96Å; V32-V43 HydrophobicContact CB-CG1 4.04Å; V32-V43 HydrophobicContact CG2-CG1 4.35Å
33	K	90.5	Very high	87.6	Confident	147 Å²	147	59 Å²	59	64%	0.639	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	123	175.7	-169.7	174.2	176.7	-179.6	0	109.1	S16 Y17 L18	S16-K33 WeakPolarHBondContact OG-CE 3.45Å; S16-K33 PolarHBondContact OG-NZ 3.44Å; Y17-K33 CarbonylContact O-C 3.4Å; Y17-K33 WeakPolarHBondContact O-CA 3.19Å; L18-K33 HydrophobicContact CD1-CB 4.01Å; L18-K33 HydrophobicContact CD1-CG 4.48Å
34	V	88.2	Confident	87.6	Confident	22 Å²	22	59.3 Å²	59.3	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	165.5	-179.3	-65.6	0	0	0	0	111.1	S16 Y17 I19 V32 M40 V43	S16-V34 CarbonylContact C-O 3.52Å; S16-V34 WeakPolarHBondContact CA-O 3.2Å; Y17-V34 PolarHBondContact N-O 2.53Å; Y17-V34 PolarHBondContact O-N 2.71Å; I19-V34 HydrophobicContact CG1-CG2 3.91Å; V32-V34 HydrophobicContact CG1-CG1 3.96Å; V34-M40 HydrophobicContact CG2-CE 4.07Å; V34-V43 HydrophobicContact CB-CG2 4.21Å; V34-V43 HydrophobicContact CG1-CG2 3.67Å; V34-V43 HydrophobicContact CG2-CG2 3.64Å
35	C	86.4	Confident	87.7	Confident	16 Å²	16	60.6 Å²	60.6	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	148.4	174.5	-176.3	0	0	0	0	111	S11 N37 T38	S11-C35 WeakPolarHBondContact O-CB 3.28Å; C35-N37 PolarHBondContact O-N 3.29Å; C35-T38 WeakPolarHBondContact O-CB 3.46Å; C35-T38 PolarHBondContact O-N 2.97Å; C35-T38 PolarHBondContact O-OG1 3.37Å
36	G	82.1	Confident	87.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.9	-176.9	0	0	0	0	0	114.5	D15 T38 T72 A73 V74	D15-G36 PolarHBondContact O-N 3.29Å; D15-G36 VanDerWaalsContact O-N 3.16Å; G36-T38 PolarHBondContact O-N 2.88Å; G36-T72 WeakPolarHBondContact O-CB 3.49Å; G36-A73 PolarHBondContact O-N 3.29Å; G36-A73 VanDerWaalsContact O-N 3.14Å; G36-V74 PolarHBondContact O-N 2.97Å
37	N	83.8	Confident	88.1	Confident	131 Å²	131	53.4 Å²	53.4	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.4	176.7	-71.8	36.3	0	0	0	113	C35	C35-N37 PolarHBondContact O-N 3.29Å
38	T	84.6	Confident	88.2	Confident	13 Å²	13	51.3 Å²	51.3	8%	0.08	24%	0.243	C	C	.	.	S	Bend	trans	-87	137.3	178.9	-52.8	0	0	0	0	110.1	C35 G36 M40 K42	C35-T38 WeakPolarHBondContact O-CB 3.46Å; C35-T38 PolarHBondContact O-N 2.97Å; C35-T38 PolarHBondContact O-OG1 3.37Å; G36-T38 PolarHBondContact O-N 2.88Å; T38-M40 WeakPolarHBondContact O-CE 3.29Å; T38-M40 PolarHBondContact O-N 2.97Å; T38-K42 HydrophobicContact CG2-CB 4.22Å; T38-K42 HydrophobicContact CG2-CD 3.63Å; T38-K42 HydrophobicContact CG2-CG 4.13Å
39	E	89.6	Confident	88.1	Confident	68 Å²	68	53.8 Å²	53.8	32%	0.318	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-57.6	132.1	171.3	-71.3	173.8	94.1	0	0	111	Y41 K42 G69 T72	E39-Y41 PolarHBondContact O-N 3.09Å; E39-Y41 VanDerWaalsContact O-N 3.09Å; E39-K42 PolarHBondContact O-N 3.01Å; E39-K42 VanDerWaalsContact O-N 3.1Å; E39-G69 WeakPolarHBondContact CB-O 3.32Å; E39-T72 HydrophobicContact CG-CG2 4.5Å
40	M	87.4	Confident	87.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-20	178.7	-69.1	-65.5	103.8	0	0	112.4	I19 V34 T38 K42 V43 F44 I67 G69 E71 A73 L76 L78	I19-M40 HydrophobicContact CD1-SD 4.37Å; I19-M40 HydrophobicContact CG1-SD 4.39Å; V34-M40 HydrophobicContact CG2-CE 4.07Å; T38-M40 WeakPolarHBondContact O-CE 3.29Å; T38-M40 PolarHBondContact O-N 2.97Å; M40-K42 PolarHBondContact O-N 2.83Å; M40-K42 VanDerWaalsContact O-N 3.09Å; M40-V43 HydrophobicContact CE-CG2 4.1Å; M40-V43 WeakPolarHBondContact O-CA 3.3Å; M40-V43 WeakPolarHBondContact O-CB 3.22Å; M40-V43 PolarHBondContact O-N 2.77Å; M40-V43 HydrophobicContact SD-CG2 4.03Å; M40-F44 HydrophobicContact CB-CD2 4.32Å; M40-F44 HydrophobicContact CB-CE1 4.3Å; M40-F44 HydrophobicContact CB-CE2 3.7Å; M40-F44 HydrophobicContact CB-CZ 3.69Å; M40-F44 WeakPolarHBondContact O-CD2 3.29Å; M40-F44 VanDerWaalsContact O-CG 3.28Å; M40-F44 WeakPolarHBondContact O-CG 3.34Å; M40-F44 PolarHBondContact O-N 3.44Å; M40-I67 HydrophobicContact CB-CG2 4.22Å; M40-I67 HydrophobicContact CG-CG2 4.17Å; M40-G69 PolarHBondContact N-O 3.35Å; M40-E71 WeakPolarHBondContact CG-O 3.4Å; M40-E71 PolarHBondContact N-O 3.44Å; M40-A73 HydrophobicContact CE-CB 3.49Å; M40-A73 VanDerWaalsContact CE-CB 3.49Å; M40-A73 HydrophobicContact SD-CB 4.43Å; M40-L76 HydrophobicContact CG-CD1 4.11Å; M40-L78 HydrophobicContact CG-CD1 4.48Å; M40-L78 HydrophobicContact SD-CD1 3.79Å
41	Y	89.7	Confident	87.5	Confident	78 Å²	78	55.3 Å²	55.3	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-48.9	-37.1	171.7	-179.4	-106.9	0	0	0	112.3	E39 F44 K45 M55 G69	E39-Y41 PolarHBondContact O-N 3.09Å; E39-Y41 VanDerWaalsContact O-N 3.09Å; Y41-F44 PolarHBondContact O-N 3.23Å; Y41-K45 HydrophobicContact CE1-CD 4.24Å; Y41-K45 WeakPolarHBondContact O-CB 3.31Å; Y41-K45 PolarHBondContact O-N 2.84Å; Y41-M55 HydrophobicContact CD2-CE 4.14Å; Y41-M55 HydrophobicContact CD2-SD 3.87Å; Y41-M55 HydrophobicContact CE1-CE 4.43Å; Y41-M55 HydrophobicContact CE2-CE 3.31Å; Y41-M55 HydrophobicContact CE2-SD 3.6Å; Y41-M55 VanDerWaalsContact CE2-SD 3.6Å; Y41-M55 VanDerWaalsContact CZ-CE 3.49Å; Y41-M55 WeakPolarHBondContact OH-CE 3.33Å; Y41-G69 VanDerWaalsContact CB-O 3.22Å; Y41-G69 WeakPolarHBondContact CB-O 3.45Å; Y41-G69 PolarHBondContact N-O 3.49Å
42	K	85.7	Confident	87.1	Confident	46 Å²	46	56.1 Å²	56.1	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-41.1	176.9	-70.1	-160.7	172.1	-141	0	113.1	S9 V10 T38 E39 M40 A46	S9-K42 VanDerWaalsContact C-CE 3.5Å; S9-K42 VanDerWaalsContact CA-NZ 3.33Å; S9-K42 VanDerWaalsContact N-CE 3.28Å; S9-K42 WeakPolarHBondContact O-CE 3.45Å; S9-K42 PolarHBondContact O-NZ 2.71Å; V10-K42 VanDerWaalsContact N-NZ 3.12Å; T38-K42 HydrophobicContact CG2-CB 4.22Å; T38-K42 HydrophobicContact CG2-CD 3.63Å; T38-K42 HydrophobicContact CG2-CG 4.13Å; E39-K42 PolarHBondContact O-N 3.01Å; E39-K42 VanDerWaalsContact O-N 3.1Å; M40-K42 PolarHBondContact O-N 2.83Å; M40-K42 VanDerWaalsContact O-N 3.09Å; K42-A46 WeakPolarHBondContact O-CB 3.46Å; K42-A46 PolarHBondContact O-N 2.72Å
43	V	88.6	Confident	86.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-47.7	176.9	-167	0	0	0	0	109.2	I19 I21 V32 V34 M40 K45 A46 F47	I19-V43 HydrophobicContact CB-CG1 3.84Å; I19-V43 HydrophobicContact CG1-CG1 4.32Å; I19-V43 HydrophobicContact CG1-CG2 4.32Å; I19-V43 HydrophobicContact CG2-CG1 3.85Å; I21-V43 HydrophobicContact CD1-CB 4.46Å; I21-V43 HydrophobicContact CD1-CG1 3.57Å; I21-V43 HydrophobicContact CG1-CG1 4.38Å; V32-V43 HydrophobicContact CB-CG1 4.04Å; V32-V43 HydrophobicContact CG2-CG1 4.35Å; V34-V43 HydrophobicContact CB-CG2 4.21Å; V34-V43 HydrophobicContact CG1-CG2 3.67Å; V34-V43 HydrophobicContact CG2-CG2 3.64Å; M40-V43 HydrophobicContact CE-CG2 4.1Å; M40-V43 WeakPolarHBondContact O-CA 3.3Å; M40-V43 WeakPolarHBondContact O-CB 3.22Å; M40-V43 PolarHBondContact O-N 2.77Å; M40-V43 HydrophobicContact SD-CG2 4.03Å; V43-K45 PolarHBondContact O-N 3.38Å; V43-A46 WeakPolarHBondContact O-CB 3.18Å; V43-A46 PolarHBondContact O-N 2.62Å; V43-F47 PolarHBondContact O-N 3.29Å
44	F	89.9	Confident	86.4	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.022	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-42.5	179.4	-60	-21.6	0	0	0	112.3	I21 M40 Y41 F47 C48 M55 F60 I67 I84	I21-F44 HydrophobicContact CD1-CD1 3.97Å; I21-F44 HydrophobicContact CD1-CE1 4.47Å; M40-F44 HydrophobicContact CB-CD2 4.32Å; M40-F44 HydrophobicContact CB-CE1 4.3Å; M40-F44 HydrophobicContact CB-CE2 3.7Å; M40-F44 HydrophobicContact CB-CZ 3.69Å; M40-F44 WeakPolarHBondContact O-CD2 3.29Å; M40-F44 VanDerWaalsContact O-CG 3.28Å; M40-F44 WeakPolarHBondContact O-CG 3.34Å; M40-F44 PolarHBondContact O-N 3.44Å; Y41-F44 PolarHBondContact O-N 3.23Å; F44-F47 PolarHBondContact O-N 2.82Å; F44-C48 VanDerWaalsContact O-CB 3.31Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.49Å; F44-C48 PolarHBondContact O-SG 2.99Å; F44-M55 HydrophobicContact CB-CG 4.49Å; F44-M55 HydrophobicContact CB-SD 3.89Å; F44-F60 HydrophobicContact CB-CD2 4.09Å; F44-F60 HydrophobicContact CB-CE1 4.13Å; F44-F60 HydrophobicContact CB-CE2 3.49Å; F44-F60 VanDerWaalsContact CB-CE2 3.49Å; F44-F60 HydrophobicContact CB-CZ 3.51Å; F44-F60 HydrophobicContact CD1-CB 4.19Å; F44-F60 AromaticContact CD1-CD1 3.34Å; F44-F60 HydrophobicContact CD1-CD1 3.34Å; F44-F60 AromaticContact CD1-CD2 3.7Å; F44-F60 HydrophobicContact CD1-CD2 3.7Å; F44-F60 AromaticContact CD1-CE1 3.5Å; F44-F60 HydrophobicContact CD1-CE1 3.5Å; F44-F60 VanDerWaalsContact CD1-CE1 3.5Å; F44-F60 AromaticContact CD1-CE2 3.86Å; F44-F60 HydrophobicContact CD1-CE2 3.86Å; F44-F60 AromaticContact CD1-CG 3.44Å; F44-F60 HydrophobicContact CD1-CG 3.44Å; F44-F60 VanDerWaalsContact CD1-CG 3.44Å; F44-F60 AromaticContact CD1-CZ 3.75Å; F44-F60 HydrophobicContact CD1-CZ 3.75Å; F44-F60 AromaticContact CD2-CD2 3.59Å; F44-F60 HydrophobicContact CD2-CD2 3.59Å; F44-F60 AromaticContact CD2-CE2 3.88Å; F44-F60 HydrophobicContact CD2-CE2 3.88Å; F44-F60 HydrophobicContact CD2-CG 4.05Å; F44-F60 HydrophobicContact CE1-CB 3.61Å; F44-F60 AromaticContact CE1-CD1 3.51Å; F44-F60 HydrophobicContact CE1-CD1 3.51Å; F44-F60 AromaticContact CE1-CD2 3.98Å; F44-F60 HydrophobicContact CE1-CD2 3.98Å; F44-F60 HydrophobicContact CE1-CE1 4.16Å; F44-F60 AromaticContact CE1-CG 3.4Å; F44-F60 HydrophobicContact CE1-CG 3.4Å; F44-F60 HydrophobicContact CE2-CB 4.05Å; F44-F60 AromaticContact CE2-CD2 3.86Å; F44-F60 HydrophobicContact CE2-CD2 3.86Å; F44-F60 AromaticContact CE2-CG 3.99Å; F44-F60 HydrophobicContact CE2-CG 3.99Å; F44-F60 HydrophobicContact CG-CD1 4.02Å; F44-F60 AromaticContact CG-CD2 3.51Å; F44-F60 HydrophobicContact CG-CD2 3.51Å; F44-F60 AromaticContact CG-CE1 3.96Å; F44-F60 HydrophobicContact CG-CE1 3.96Å; F44-F60 AromaticContact CG-CE2 3.46Å; F44-F60 HydrophobicContact CG-CE2 3.46Å; F44-F60 VanDerWaalsContact CG-CE2 3.46Å; F44-F60 AromaticContact CG-CG 3.79Å; F44-F60 HydrophobicContact CG-CG 3.79Å; F44-F60 AromaticContact CG-CZ 3.69Å; F44-F60 HydrophobicContact CG-CZ 3.69Å; F44-F60 HydrophobicContact CZ-CB 3.52Å; F44-F60 HydrophobicContact CZ-CD1 4.27Å; F44-F60 HydrophobicContact CZ-CD2 4.05Å; F44-F60 AromaticContact CZ-CG 3.68Å; F44-F60 HydrophobicContact CZ-CG 3.68Å; F44-I67 HydrophobicContact CE2-CG2 4.02Å; F44-I67 HydrophobicContact CZ-CB 4.14Å; F44-I67 HydrophobicContact CZ-CG2 3.68Å; F44-I84 HydrophobicContact CE1-CD1 3.79Å; F44-I84 HydrophobicContact CE1-CG2 4.31Å; F44-I84 HydrophobicContact CZ-CD1 4.29Å
45	K	89	Confident	86.1	Confident	108 Å²	108	57.4 Å²	57.4	47%	0.47	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.7	-170.5	178.9	-178.3	-165.2	0	110.9	Y41 V43 C48 N49 M55	Y41-K45 HydrophobicContact CE1-CD 4.24Å; Y41-K45 WeakPolarHBondContact O-CB 3.31Å; Y41-K45 PolarHBondContact O-N 2.84Å; V43-K45 PolarHBondContact O-N 3.38Å; K45-C48 PolarHBondContact O-N 3.42Å; K45-N49 VanDerWaalsContact O-CB 3.24Å; K45-N49 WeakPolarHBondContact O-CB 3.29Å; K45-N49 PolarHBondContact O-N 2.81Å; K45-M55 HydrophobicContact CB-CE 3.61Å; K45-M55 HydrophobicContact CB-SD 3.91Å; K45-M55 HydrophobicContact CD-CE 4.31Å; K45-M55 HydrophobicContact CG-CE 3.71Å; K45-M55 PolarHBondContact N-SD 3.21Å; K45-M55 VanDerWaalsContact N-SD 3.44Å
46	A	88.1	Confident	85.9	Confident	43 Å²	43	63.1 Å²	63.1	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-43.5	177.1	0	0	0	0	0	112.1	K42 V43 N49 K50	K42-A46 WeakPolarHBondContact O-CB 3.46Å; K42-A46 PolarHBondContact O-N 2.72Å; V43-A46 WeakPolarHBondContact O-CB 3.18Å; V43-A46 PolarHBondContact O-N 2.62Å; A46-N49 PolarHBondContact O-N 2.9Å; A46-K50 WeakPolarHBondContact O-CB 2.87Å; A46-K50 PolarHBondContact O-N 2.79Å
47	F	89.1	Confident	85.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-52	172.5	167.3	-102.6	0	0	0	111.7	I21 D23 V30 V43 F44 N49 K50 S51 F60 A86	I21-F47 HydrophobicContact CB-CB 4.47Å; I21-F47 HydrophobicContact CB-CD2 3.89Å; I21-F47 HydrophobicContact CB-CE2 4.31Å; I21-F47 HydrophobicContact CB-CG 4.15Å; I21-F47 HydrophobicContact CD1-CB 3.55Å; I21-F47 HydrophobicContact CD1-CG 4.04Å; I21-F47 HydrophobicContact CG2-CB 4.43Å; I21-F47 HydrophobicContact CG2-CD1 3.93Å; I21-F47 HydrophobicContact CG2-CD2 3.59Å; I21-F47 HydrophobicContact CG2-CE1 4.01Å; I21-F47 HydrophobicContact CG2-CE2 3.67Å; I21-F47 HydrophobicContact CG2-CG 3.71Å; I21-F47 HydrophobicContact CG2-CZ 3.88Å; D23-F47 HydrophobicContact CB-CZ 4.18Å; V30-F47 HydrophobicContact CB-CD2 3.79Å; V30-F47 HydrophobicContact CB-CE2 4.45Å; V30-F47 HydrophobicContact CG2-CD2 3.65Å; V30-F47 HydrophobicContact CG2-CE2 4.01Å; V43-F47 PolarHBondContact O-N 3.29Å; F44-F47 PolarHBondContact O-N 2.82Å; F47-N49 VanDerWaalsContact C-N 3.27Å; F47-N49 PolarHBondContact O-N 3.05Å; F47-K50 PolarHBondContact O-N 3.49Å; F47-S51 WeakPolarHBondContact CE2-OG 3.24Å; F47-S51 PolarHBondContact O-N 2.87Å; F47-S51 PolarHBondContact O-OG 2.81Å; F47-F60 AromaticContact CD1-CE1 3.66Å; F47-F60 HydrophobicContact CD1-CE1 3.66Å; F47-F60 AromaticContact CD1-CZ 3.93Å; F47-F60 HydrophobicContact CD1-CZ 3.93Å; F47-F60 HydrophobicContact CE1-CE1 4.09Å; F47-F60 HydrophobicContact CE1-CZ 4.45Å; F47-F60 HydrophobicContact CG-CE1 4.45Å; F47-A86 HydrophobicContact CD1-CB 4.48Å; F47-A86 HydrophobicContact CE1-CB 3.58Å; F47-A86 HydrophobicContact CZ-CB 3.69Å
48	C	87.3	Confident	86	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-37.6	-179.7	-73.6	0	0	0	0	112.4	F44 K45 K50 N52 R53 M55	F44-C48 VanDerWaalsContact O-CB 3.31Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.49Å; F44-C48 PolarHBondContact O-SG 2.99Å; K45-C48 PolarHBondContact O-N 3.42Å; C48-K50 VanDerWaalsContact C-N 3.33Å; C48-N52 CarbonylContact O-C 3.47Å; C48-N52 VanDerWaalsContact O-CA 3.29Å; C48-N52 WeakPolarHBondContact O-CA 3.39Å; C48-N52 PolarHBondContact O-N 3.08Å; C48-R53 VanDerWaalsContact CB-O 3.29Å; C48-R53 WeakPolarHBondContact CB-O 3.33Å; C48-R53 PolarHBondContact O-N 3.25Å; C48-M55 HydrophobicContact CB-CG 3.85Å; C48-M55 WeakPolarHBondContact SG-CG 3.26Å
49	N	87.4	Confident	86.3	Confident	134 Å²	134	64.3 Å²	64.3	72%	0.717	32%	0.317	S	S	*	.	H	α-helix	trans	-66	-37.3	175	-159.4	-92.4	0	0	0	111.7	K45 A46 F47	K45-N49 VanDerWaalsContact O-CB 3.24Å; K45-N49 WeakPolarHBondContact O-CB 3.29Å; K45-N49 PolarHBondContact O-N 2.81Å; A46-N49 PolarHBondContact O-N 2.9Å; F47-N49 VanDerWaalsContact C-N 3.27Å; F47-N49 PolarHBondContact O-N 3.05Å
50	K	85.1	Confident	86.3	Confident	157 Å²	157	61.7 Å²	61.7	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-78	-39.5	-179.3	-160.9	165.4	-176.7	-179.7	0	113.4	V30 A46 F47 C48 N52	V30-K50 HydrophobicContact CG1-CD 3.91Å; V30-K50 HydrophobicContact CG2-CD 4.43Å; A46-K50 WeakPolarHBondContact O-CB 2.87Å; A46-K50 PolarHBondContact O-N 2.79Å; F47-K50 PolarHBondContact O-N 3.49Å; C48-K50 VanDerWaalsContact C-N 3.33Å; K50-N52 VanDerWaalsContact C-N 3.28Å
51	S	83.5	Confident	86.5	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.133	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-1	176.4	-51	0	0	0	0	112.9	E28 F47 R53	E28-S51 VanDerWaalsContact OE1-CB 3.28Å; E28-S51 WeakPolarHBondContact OE1-CB 3.39Å; E28-S51 PolarHBondContact OE1-OG 3.21Å; F47-S51 WeakPolarHBondContact CE2-OG 3.24Å; F47-S51 PolarHBondContact O-N 2.87Å; F47-S51 PolarHBondContact O-OG 2.81Å; S51-R53 WeakPolarHBondContact O-CG 3.46Å; S51-R53 PolarHBondContact O-N 3.25Å
52	N	83.1	Confident	86.6	Confident	151 Å²	151	61.8 Å²	61.8	81%	0.807	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.6	-173.7	-156.8	94.8	0	0	0	112.6	C48 K50	C48-N52 CarbonylContact O-C 3.47Å; C48-N52 VanDerWaalsContact O-CA 3.29Å; C48-N52 WeakPolarHBondContact O-CA 3.39Å; C48-N52 PolarHBondContact O-N 3.08Å; K50-N52 VanDerWaalsContact C-N 3.28Å
53	R	81.4	Confident	86.7	Confident	74 Å²	74	66 Å²	66	28%	0.279	33%	0.333	S	S	.	.			trans	-108.7	159	-178.6	-63.9	-87.4	-177.1	77.2	-3.3	110.1	D23 C48 S51 V58	D23-R53 IonicContact OD1-CZ 3.41Å; D23-R53 IonicContact OD1-NH1 2.62Å; D23-R53 PolarHBondContact OD1-NH1 3.28Å; D23-R53 VanDerWaalsContact OD1-NH1 3.09Å; D23-R53 IonicContact OD1-NH2 2.8Å; D23-R53 PolarHBondContact OD1-NH2 2.96Å; D23-R53 IonicContact OD2-CZ 3.7Å; D23-R53 IonicContact OD2-NH1 3.09Å; D23-R53 PolarHBondContact OD2-NH1 3.41Å; D23-R53 IonicContact OD2-NH2 3.86Å; C48-R53 VanDerWaalsContact CB-O 3.29Å; C48-R53 WeakPolarHBondContact CB-O 3.33Å; C48-R53 PolarHBondContact O-N 3.25Å; S51-R53 WeakPolarHBondContact O-CG 3.46Å; S51-R53 PolarHBondContact O-N 3.25Å; R53-V58 HydrophobicContact CB-CG1 4.32Å
54	N	83.5	Confident	86.5	Confident	109 Å²	109	69.2 Å²	69.2	58%	0.583	37%	0.366	S	S	*	.			trans	-90.6	133.5	172.2	-168.3	4.2	0	0	0	110	D56 G57 V58	N54-D56 PolarHBondContact O-N 2.8Å; N54-D56 PolarHBondContact OD1-N 2.81Å; N54-G57 CarbonylContact O-C 3.46Å; N54-G57 WeakPolarHBondContact O-CA 3.34Å; N54-G57 PolarHBondContact O-N 3.26Å; N54-V58 PolarHBondContact O-N 3.09Å
55	M	83.2	Confident	86.4	Confident	46 Å²	46	74.8 Å²	74.8	23%	0.227	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.9	174.7	-83.1	-167	-78.9	0	0	112.4	Y41 F44 K45 C48 G57	Y41-M55 HydrophobicContact CD2-CE 4.14Å; Y41-M55 HydrophobicContact CD2-SD 3.87Å; Y41-M55 HydrophobicContact CE1-CE 4.43Å; Y41-M55 HydrophobicContact CE2-CE 3.31Å; Y41-M55 HydrophobicContact CE2-SD 3.6Å; Y41-M55 VanDerWaalsContact CE2-SD 3.6Å; Y41-M55 VanDerWaalsContact CZ-CE 3.49Å; Y41-M55 WeakPolarHBondContact OH-CE 3.33Å; F44-M55 HydrophobicContact CB-CG 4.49Å; F44-M55 HydrophobicContact CB-SD 3.89Å; K45-M55 HydrophobicContact CB-CE 3.61Å; K45-M55 HydrophobicContact CB-SD 3.91Å; K45-M55 HydrophobicContact CD-CE 4.31Å; K45-M55 HydrophobicContact CG-CE 3.71Å; K45-M55 PolarHBondContact N-SD 3.21Å; K45-M55 VanDerWaalsContact N-SD 3.44Å; C48-M55 HydrophobicContact CB-CG 3.85Å; C48-M55 WeakPolarHBondContact SG-CG 3.26Å; M55-G57 VanDerWaalsContact C-N 3.28Å
56	D	82.2	Confident	86.4	Confident	136 Å²	136	78.3 Å²	78.3	73%	0.727	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-70.8	-28	174.6	-170.3	-112.6	0	0	0	112.3	N54 V58	N54-D56 PolarHBondContact O-N 2.8Å; N54-D56 PolarHBondContact OD1-N 2.81Å; D56-V58 VanDerWaalsContact C-N 3.33Å
57	G	82	Confident	86.5	Confident	21 Å²	21	76.8 Å²	76.8	22%	0.216	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-83.4	-4	179.8	0	0	0	0	0	114.4	N54 M55 S88 V89	N54-G57 CarbonylContact O-C 3.46Å; N54-G57 WeakPolarHBondContact O-CA 3.34Å; N54-G57 PolarHBondContact O-N 3.26Å; M55-G57 VanDerWaalsContact C-N 3.28Å; G57-S88 WeakPolarHBondContact O-CA 3.2Å; G57-S88 PolarHBondContact O-OG 2.66Å; G57-V89 WeakPolarHBondContact O-CG2 2.76Å; G57-V89 PolarHBondContact O-N 2.86Å
58	V	86.6	Confident	86.4	Confident	7 Å²	7	81 Å²	81	4%	0.042	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144	-178.5	-61.5	0	0	0	0	110.8	R53 N54 D56 F60 A87	R53-V58 HydrophobicContact CB-CG1 4.32Å; N54-V58 PolarHBondContact O-N 3.09Å; D56-V58 VanDerWaalsContact C-N 3.33Å; V58-F60 HydrophobicContact CG2-CE1 4.34Å; V58-F60 HydrophobicContact CG2-CE2 3.68Å; V58-F60 HydrophobicContact CG2-CZ 3.52Å; V58-A87 CarbonylContact C-O 3.45Å; V58-A87 WeakPolarHBondContact CA-O 3.5Å
59	R	89.1	Confident	86.4	Confident	141 Å²	141	81.2 Å²	81.2	53%	0.532	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	175.9	-77.4	175.1	179.7	124.5	5.3	109.6	A86 A87 V89	R59-A86 WeakPolarHBondContact O-CA 3.43Å; R59-A87 PolarHBondContact N-O 2.74Å; R59-A87 PolarHBondContact O-N 3.46Å; R59-V89 HydrophobicContact CB-CG1 4.39Å; R59-V89 HydrophobicContact CG-CG1 3.54Å
60	F	90.7	Very high	86.4	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.057	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.9	179.4	-59.1	-82.6	0	0	0	110.3	I21 F44 F47 V58 I67 I84 T85 A86	I21-F60 HydrophobicContact CD1-CE1 4.21Å; I21-F60 HydrophobicContact CG2-CD1 4.2Å; I21-F60 HydrophobicContact CG2-CE1 4Å; F44-F60 HydrophobicContact CB-CD2 4.09Å; F44-F60 HydrophobicContact CB-CE1 4.13Å; F44-F60 HydrophobicContact CB-CE2 3.49Å; F44-F60 VanDerWaalsContact CB-CE2 3.49Å; F44-F60 HydrophobicContact CB-CZ 3.51Å; F44-F60 HydrophobicContact CD1-CB 4.19Å; F44-F60 AromaticContact CD1-CD1 3.34Å; F44-F60 HydrophobicContact CD1-CD1 3.34Å; F44-F60 AromaticContact CD1-CD2 3.7Å; F44-F60 HydrophobicContact CD1-CD2 3.7Å; F44-F60 AromaticContact CD1-CE1 3.5Å; F44-F60 HydrophobicContact CD1-CE1 3.5Å; F44-F60 VanDerWaalsContact CD1-CE1 3.5Å; F44-F60 AromaticContact CD1-CE2 3.86Å; F44-F60 HydrophobicContact CD1-CE2 3.86Å; F44-F60 AromaticContact CD1-CG 3.44Å; F44-F60 HydrophobicContact CD1-CG 3.44Å; F44-F60 VanDerWaalsContact CD1-CG 3.44Å; F44-F60 AromaticContact CD1-CZ 3.75Å; F44-F60 HydrophobicContact CD1-CZ 3.75Å; F44-F60 AromaticContact CD2-CD2 3.59Å; F44-F60 HydrophobicContact CD2-CD2 3.59Å; F44-F60 AromaticContact CD2-CE2 3.88Å; F44-F60 HydrophobicContact CD2-CE2 3.88Å; F44-F60 HydrophobicContact CD2-CG 4.05Å; F44-F60 HydrophobicContact CE1-CB 3.61Å; F44-F60 AromaticContact CE1-CD1 3.51Å; F44-F60 HydrophobicContact CE1-CD1 3.51Å; F44-F60 AromaticContact CE1-CD2 3.98Å; F44-F60 HydrophobicContact CE1-CD2 3.98Å; F44-F60 HydrophobicContact CE1-CE1 4.16Å; F44-F60 AromaticContact CE1-CG 3.4Å; F44-F60 HydrophobicContact CE1-CG 3.4Å; F44-F60 HydrophobicContact CE2-CB 4.05Å; F44-F60 AromaticContact CE2-CD2 3.86Å; F44-F60 HydrophobicContact CE2-CD2 3.86Å; F44-F60 AromaticContact CE2-CG 3.99Å; F44-F60 HydrophobicContact CE2-CG 3.99Å; F44-F60 HydrophobicContact CG-CD1 4.02Å; F44-F60 AromaticContact CG-CD2 3.51Å; F44-F60 HydrophobicContact CG-CD2 3.51Å; F44-F60 AromaticContact CG-CE1 3.96Å; F44-F60 HydrophobicContact CG-CE1 3.96Å; F44-F60 AromaticContact CG-CE2 3.46Å; F44-F60 HydrophobicContact CG-CE2 3.46Å; F44-F60 VanDerWaalsContact CG-CE2 3.46Å; F44-F60 AromaticContact CG-CG 3.79Å; F44-F60 HydrophobicContact CG-CG 3.79Å; F44-F60 AromaticContact CG-CZ 3.69Å; F44-F60 HydrophobicContact CG-CZ 3.69Å; F44-F60 HydrophobicContact CZ-CB 3.52Å; F44-F60 HydrophobicContact CZ-CD1 4.27Å; F44-F60 HydrophobicContact CZ-CD2 4.05Å; F44-F60 AromaticContact CZ-CG 3.68Å; F44-F60 HydrophobicContact CZ-CG 3.68Å; F47-F60 AromaticContact CD1-CE1 3.66Å; F47-F60 HydrophobicContact CD1-CE1 3.66Å; F47-F60 AromaticContact CD1-CZ 3.93Å; F47-F60 HydrophobicContact CD1-CZ 3.93Å; F47-F60 HydrophobicContact CE1-CE1 4.09Å; F47-F60 HydrophobicContact CE1-CZ 4.45Å; F47-F60 HydrophobicContact CG-CE1 4.45Å; V58-F60 HydrophobicContact CG2-CE1 4.34Å; V58-F60 HydrophobicContact CG2-CE2 3.68Å; V58-F60 HydrophobicContact CG2-CZ 3.52Å; F60-I67 PolarHBondContact O-N 2.8Å; F60-I67 VanDerWaalsContact O-N 3.08Å; F60-I84 HydrophobicContact CB-CG2 3.79Å; F60-I84 HydrophobicContact CD1-CG2 3.97Å; F60-I84 HydrophobicContact CG-CG2 4.38Å; F60-T85 WeakPolarHBondContact CA-O 3.22Å; F60-A86 HydrophobicContact CD1-CB 4.16Å; F60-A86 HydrophobicContact CE1-CB 4.05Å
61	M	91.3	Very high	86.5	Confident	58 Å²	58	77 Å²	77	29%	0.286	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.7	-180	-59.8	-174.8	80.6	0	0	109.6	K65 R66 I84 T85	M61-K65 CarbonylContact C-O 3.48Å; M61-K65 WeakPolarHBondContact CA-O 3.47Å; M61-R66 HydrophobicContact CE-CG 4.1Å; M61-R66 HydrophobicContact CG-CG 4.31Å; M61-I84 CarbonylContact O-C 3.56Å; M61-I84 WeakPolarHBondContact O-CA 3.28Å; M61-T85 PolarHBondContact N-O 2.94Å; M61-T85 PolarHBondContact O-N 3.16Å
62	Y	91.1	Very high	86.7	Confident	23 Å²	23	77.8 Å²	77.8	9%	0.09	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.4	177.6	171.3	-106	0	0	0	108.4	G64 K65 I67 L78 D79 A82 D83 I84	Y62-G64 PolarHBondContact O-N 2.93Å; Y62-G64 VanDerWaalsContact O-N 3.09Å; Y62-K65 PolarHBondContact N-O 2.76Å; Y62-K65 WeakPolarHBondContact O-CA 3.46Å; Y62-K65 WeakPolarHBondContact O-CB 3.28Å; Y62-K65 PolarHBondContact O-N 3.09Å; Y62-I67 HydrophobicContact CD1-CD1 4.28Å; Y62-I67 HydrophobicContact CG-CD1 3.91Å; Y62-L78 HydrophobicContact CD1-CD2 3.31Å; Y62-L78 HydrophobicContact CD2-CD2 4.36Å; Y62-L78 HydrophobicContact CE1-CD2 3.31Å; Y62-L78 HydrophobicContact CE2-CD2 4.4Å; Y62-L78 HydrophobicContact CG-CD2 3.85Å; Y62-D79 PolarHBondContact OH-OD2 2.91Å; Y62-D79 VanDerWaalsContact OH-OD2 3.13Å; Y62-A82 HydrophobicContact CD2-CB 4.15Å; Y62-A82 HydrophobicContact CE2-CB 3.6Å; Y62-D83 VanDerWaalsContact CD2-O 3.28Å; Y62-D83 WeakPolarHBondContact CD2-O 3.47Å; Y62-I84 HydrophobicContact CD2-CG1 4.26Å
63	N	87.6	Confident	86.9	Confident	135 Å²	135	70.6 Å²	70.6	72%	0.722	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	38.5	-176.7	-68.9	-29.4	0	0	0	113	K65	N63-K65 PolarHBondContact O-N 3.4Å
64	G	85.1	Confident	87.1	Confident	66 Å²	66	70.5 Å²	70.5	68%	0.68	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-7	-176.5	0	0	0	0	0	115.7	Y62	Y62-G64 PolarHBondContact O-N 2.93Å; Y62-G64 VanDerWaalsContact O-N 3.09Å
65	K	88.8	Confident	87.3	Confident	122 Å²	122	68.9 Å²	68.9	53%	0.53	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.1	174.8	-174.8	176.7	175.9	-178.5	0	110.6	M61 Y62 N63	M61-K65 CarbonylContact C-O 3.48Å; M61-K65 WeakPolarHBondContact CA-O 3.47Å; Y62-K65 PolarHBondContact N-O 2.76Å; Y62-K65 WeakPolarHBondContact O-CA 3.46Å; Y62-K65 WeakPolarHBondContact O-CB 3.28Å; Y62-K65 PolarHBondContact O-N 3.09Å; N63-K65 PolarHBondContact O-N 3.4Å
66	R	87.7	Confident	87.5	Confident	182 Å²	182	68.1 Å²	68.1	69%	0.687	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.8	172.6	-66.7	-179.7	179.5	170.2	1.3	109.7	M61	M61-R66 HydrophobicContact CE-CG 4.1Å; M61-R66 HydrophobicContact CG-CG 4.31Å
67	I	90.6	Very high	87.7	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.062	35%	0.349	C	S	.	.			trans	-105.2	128	175.2	-64.2	178.2	0	0	0	108.9	M40 F44 F60 Y62 L76 L78 I84	M40-I67 HydrophobicContact CB-CG2 4.22Å; M40-I67 HydrophobicContact CG-CG2 4.17Å; F44-I67 HydrophobicContact CE2-CG2 4.02Å; F44-I67 HydrophobicContact CZ-CB 4.14Å; F44-I67 HydrophobicContact CZ-CG2 3.68Å; F60-I67 PolarHBondContact O-N 2.8Å; F60-I67 VanDerWaalsContact O-N 3.08Å; Y62-I67 HydrophobicContact CD1-CD1 4.28Å; Y62-I67 HydrophobicContact CG-CD1 3.91Å; I67-L76 HydrophobicContact CB-CD1 4.27Å; I67-L76 HydrophobicContact CD1-CD1 4.07Å; I67-L76 HydrophobicContact CG1-CD1 4.03Å; I67-L76 HydrophobicContact CG1-CD2 4.47Å; I67-L76 HydrophobicContact CG2-CD1 3.35Å; I67-L78 HydrophobicContact CD1-CD1 4.22Å; I67-L78 HydrophobicContact CD1-CD2 3.86Å; I67-I84 HydrophobicContact CD1-CD1 4.02Å; I67-I84 HydrophobicContact CD1-CG1 4.41Å
68	D	87.7	Confident	88	Confident	89 Å²	89	63.9 Å²	63.9	48%	0.476	34%	0.341	S	S	.	.			trans	-87.3	146.1	168.8	-162.6	-85.8	0	0	0	110.5	K70 E71	D68-K70 PolarHBondContact O-N 2.81Å; D68-K70 WeakPolarHBondContact OD1-CB 3.33Å; D68-K70 VanDerWaalsContact OD1-CG 3.26Å; D68-K70 WeakPolarHBondContact OD1-CG 3.31Å; D68-K70 PolarHBondContact OD1-N 3.07Å; D68-E71 PolarHBondContact O-N 3.22Å
69	G	85.8	Confident	88.1	Confident	10 Å²	10	68.3 Å²	68.3	10%	0.103	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24	178.9	0	0	0	0	0	113.6	E39 M40 Y41 E71	E39-G69 WeakPolarHBondContact CB-O 3.32Å; M40-G69 PolarHBondContact N-O 3.35Å; Y41-G69 VanDerWaalsContact CB-O 3.22Å; Y41-G69 WeakPolarHBondContact CB-O 3.45Å; Y41-G69 PolarHBondContact N-O 3.49Å; G69-E71 VanDerWaalsContact C-N 3.26Å; G69-E71 PolarHBondContact O-N 2.83Å
70	K	87.4	Confident	88.1	Confident	124 Å²	124	67.3 Å²	67.3	54%	0.539	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.5	179.5	-64.7	169.9	-176.9	172	0	113.3	D68	D68-K70 PolarHBondContact O-N 2.81Å; D68-K70 WeakPolarHBondContact OD1-CB 3.33Å; D68-K70 VanDerWaalsContact OD1-CG 3.26Å; D68-K70 WeakPolarHBondContact OD1-CG 3.31Å; D68-K70 PolarHBondContact OD1-N 3.07Å
71	E	87.9	Confident	88.2	Confident	79 Å²	79	71.9 Å²	71.9	37%	0.369	39%	0.386	S	S	.	.	S	Bend	trans	-82.6	149.6	179.4	-65.7	-67.4	112.3	0	0	110.6	M40 D68 G69 S75 L76	M40-E71 WeakPolarHBondContact CG-O 3.4Å; M40-E71 PolarHBondContact N-O 3.44Å; D68-E71 PolarHBondContact O-N 3.22Å; G69-E71 VanDerWaalsContact C-N 3.26Å; G69-E71 PolarHBondContact O-N 2.83Å; E71-S75 PolarHBondContact OE2-OG 3.13Å; E71-L76 HydrophobicContact CB-CD1 3.79Å; E71-L76 HydrophobicContact CB-CD2 3.92Å; E71-L76 HydrophobicContact CB-CG 3.74Å; E71-L76 HydrophobicContact CG-CD2 4.19Å
72	T	88.2	Confident	88.1	Confident	35 Å²	35	69.1 Å²	69.1	22%	0.215	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-94.1	160.7	176	63.1	0	0	0	0	111	G36 E39 V74 S75 L76	G36-T72 WeakPolarHBondContact O-CB 3.49Å; E39-T72 HydrophobicContact CG-CG2 4.5Å; T72-V74 PolarHBondContact O-N 3.14Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-S75 VanDerWaalsContact OG1-CB 3.29Å; T72-S75 WeakPolarHBondContact OG1-CB 3.38Å; T72-S75 PolarHBondContact OG1-N 3.1Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; T72-L76 WeakPolarHBondContact O-CD1 3.48Å; T72-L76 WeakPolarHBondContact O-CG 3.46Å; T72-L76 PolarHBondContact O-N 3Å
73	A	86.1	Confident	88.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-58	-40.8	178.3	0	0	0	0	0	110.5	Y17 G36 M40 L76 G77 L78	Y17-A73 HydrophobicContact CD1-CB 3.83Å; Y17-A73 HydrophobicContact CE1-CB 4.18Å; Y17-A73 HydrophobicContact CG-CB 4.02Å; G36-A73 PolarHBondContact O-N 3.29Å; G36-A73 VanDerWaalsContact O-N 3.14Å; M40-A73 HydrophobicContact CE-CB 3.49Å; M40-A73 VanDerWaalsContact CE-CB 3.49Å; M40-A73 HydrophobicContact SD-CB 4.43Å; A73-L76 PolarHBondContact O-N 2.82Å; A73-G77 PolarHBondContact O-N 3.45Å; A73-G77 VanDerWaalsContact O-N 3.11Å; A73-L78 HydrophobicContact CB-CB 4.21Å; A73-L78 HydrophobicContact CB-CD1 4.08Å; A73-L78 HydrophobicContact CB-CG 4.35Å; A73-L78 PolarHBondContact O-N 3.12Å
74	V	87.4	Confident	88.5	Confident	73 Å²	73	65.8 Å²	65.8	44%	0.442	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-43.7	178.8	175.5	0	0	0	0	111.6	Y17 G36 T72 L76 G77	Y17-V74 HydrophobicContact CE2-CG2 4.43Å; G36-V74 PolarHBondContact O-N 2.97Å; T72-V74 PolarHBondContact O-N 3.14Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.82Å; V74-G77 PolarHBondContact O-N 3.05Å
75	S	87	Confident	88.9	Confident	75 Å²	75	65 Å²	65	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-40.2	177.3	-173	0	0	0	0	111.9	E71 T72 G77	E71-S75 PolarHBondContact OE2-OG 3.13Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-S75 VanDerWaalsContact OG1-CB 3.29Å; T72-S75 WeakPolarHBondContact OG1-CB 3.38Å; T72-S75 PolarHBondContact OG1-N 3.1Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; S75-G77 VanDerWaalsContact C-N 3.27Å; S75-G77 PolarHBondContact O-N 3.11Å
76	L	86.9	Confident	89	Confident	29 Å²	29	59.2 Å²	59.2	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-77.9	-13.4	179.1	-67	162.6	0	0	0	113.3	M40 I67 E71 T72 A73 V74 L78	M40-L76 HydrophobicContact CG-CD1 4.11Å; I67-L76 HydrophobicContact CB-CD1 4.27Å; I67-L76 HydrophobicContact CD1-CD1 4.07Å; I67-L76 HydrophobicContact CG1-CD1 4.03Å; I67-L76 HydrophobicContact CG1-CD2 4.47Å; I67-L76 HydrophobicContact CG2-CD1 3.35Å; E71-L76 HydrophobicContact CB-CD1 3.79Å; E71-L76 HydrophobicContact CB-CD2 3.92Å; E71-L76 HydrophobicContact CB-CG 3.74Å; E71-L76 HydrophobicContact CG-CD2 4.19Å; T72-L76 WeakPolarHBondContact O-CD1 3.48Å; T72-L76 WeakPolarHBondContact O-CG 3.46Å; T72-L76 PolarHBondContact O-N 3Å; A73-L76 PolarHBondContact O-N 2.82Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 2.82Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 HydrophobicContact CB-CD2 3.89Å; L76-L78 HydrophobicContact CB-CG 3.88Å; L76-L78 HydrophobicContact CD1-CD1 4.33Å; L76-L78 HydrophobicContact CD1-CD2 4.49Å; L76-L78 HydrophobicContact CD1-CG 4.38Å
77	G	86.5	Confident	89	Confident	58 Å²	58	52.1 Å²	52.1	60%	0.598	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	37.3	-171.9	0	0	0	0	0	112.6	A73 V74 S75	A73-G77 PolarHBondContact O-N 3.45Å; A73-G77 VanDerWaalsContact O-N 3.11Å; V74-G77 PolarHBondContact O-N 3.05Å; S75-G77 VanDerWaalsContact C-N 3.27Å; S75-G77 PolarHBondContact O-N 3.11Å
78	L	87.8	Confident	88.6	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.052	31%	0.309	C	S	.	.			trans	-66.1	147.6	175	-57.1	-171.8	0	0	0	110.3	Y17 I19 M40 Y62 I67 A73 L76 A82	Y17-L78 VanDerWaalsContact CE1-O 3.3Å; Y17-L78 WeakPolarHBondContact CE1-O 3.44Å; I19-L78 HydrophobicContact CD1-CD1 4.22Å; M40-L78 HydrophobicContact CG-CD1 4.48Å; M40-L78 HydrophobicContact SD-CD1 3.79Å; Y62-L78 HydrophobicContact CD1-CD2 3.31Å; Y62-L78 HydrophobicContact CD2-CD2 4.36Å; Y62-L78 HydrophobicContact CE1-CD2 3.31Å; Y62-L78 HydrophobicContact CE2-CD2 4.4Å; Y62-L78 HydrophobicContact CG-CD2 3.85Å; I67-L78 HydrophobicContact CD1-CD1 4.22Å; I67-L78 HydrophobicContact CD1-CD2 3.86Å; A73-L78 HydrophobicContact CB-CB 4.21Å; A73-L78 HydrophobicContact CB-CD1 4.08Å; A73-L78 HydrophobicContact CB-CG 4.35Å; A73-L78 PolarHBondContact O-N 3.12Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 HydrophobicContact CB-CD2 3.89Å; L76-L78 HydrophobicContact CB-CG 3.88Å; L76-L78 HydrophobicContact CD1-CD1 4.33Å; L76-L78 HydrophobicContact CD1-CD2 4.49Å; L76-L78 HydrophobicContact CD1-CG 4.38Å; L78-A82 HydrophobicContact CB-CB 4.23Å; L78-A82 HydrophobicContact CD1-CB 4.36Å
79	D	90.4	Very high	88.1	Confident	101 Å²	101	51.3 Å²	51.3	54%	0.54	29%	0.294	S	S	.	.			trans	-70.3	158.5	170	-72.4	-81.9	0	0	0	112.1	Y17 Y62 Q81	Y17-D79 WeakPolarHBondContact CD1-O 3.39Å; Y62-D79 PolarHBondContact OH-OD2 2.91Å; Y62-D79 VanDerWaalsContact OH-OD2 3.13Å; D79-Q81 WeakPolarHBondContact CB-O 3.42Å; D79-Q81 PolarHBondContact O-N 3.21Å
80	K	89	Confident	87.1	Confident	119 Å²	119	58.5 Å²	58.5	52%	0.517	33%	0.325	S	S	.	.	S	Bend	trans	-53.6	-25.6	171.8	-76.1	-174.9	-178.1	-82.2	0	112.2	D15 Y17 L18	D15-K80 IonicContact OD1-NZ 2.67Å; D15-K80 PolarHBondContact OD1-NZ 3.21Å; Y17-K80 WeakPolarHBondContact CA-O 2.99Å; L18-K80 WeakPolarHBondContact CB-O 3.39Å; L18-K80 PolarHBondContact N-O 2.87Å
81	Q	91.3	Very high	85.9	Confident	110 Å²	110	60.7 Å²	60.7	51%	0.514	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.4	167.3	-177.1	176.3	-81.4	0	0	108.8	L18 D79	L18-Q81 WeakPolarHBondContact O-CA 3.38Å; D79-Q81 WeakPolarHBondContact CB-O 3.42Å; D79-Q81 PolarHBondContact O-N 3.21Å
82	A	91	Very high	84.5	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	-177.1	0	0	0	0	0	111.2	L18 I19 T20 Y62 L78	L18-A82 PolarHBondContact O-N 3.4Å; I19-A82 CarbonylContact C-O 3.59Å; I19-A82 WeakPolarHBondContact CA-O 3.29Å; I19-A82 HydrophobicContact CD1-CB 3.72Å; T20-A82 PolarHBondContact N-O 3.26Å; Y62-A82 HydrophobicContact CD2-CB 4.15Å; Y62-A82 HydrophobicContact CE2-CB 3.6Å; L78-A82 HydrophobicContact CB-CB 4.23Å; L78-A82 HydrophobicContact CD1-CB 4.36Å
83	D	92.7	Very high	82.8	Confident	87 Å²	87	61.1 Å²	61.1	47%	0.465	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.3	179.6	-62.3	-80	0	0	0	110.3	T20 Y62	T20-D83 VanDerWaalsContact CB-OD1 3.31Å; T20-D83 WeakPolarHBondContact CB-OD1 3.32Å; T20-D83 CarbonylContact O-C 3.55Å; T20-D83 WeakPolarHBondContact O-CA 3.3Å; T20-D83 PolarHBondContact OG1-OD1 2.91Å; Y62-D83 VanDerWaalsContact CD2-O 3.28Å; Y62-D83 WeakPolarHBondContact CD2-O 3.47Å
84	I	93.6	Very high	80.9	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.1	-179.2	-58.5	-173.5	0	0	0	108.6	I19 T20 I21 E22 F44 F60 M61 Y62 I67	I19-I84 HydrophobicContact CG2-CD1 3.35Å; I19-I84 HydrophobicContact CG2-CG1 3.78Å; T20-I84 PolarHBondContact O-N 3.22Å; I21-I84 CarbonylContact C-O 3.59Å; I21-I84 VanDerWaalsContact CA-O 3.22Å; I21-I84 WeakPolarHBondContact CA-O 3.17Å; I21-I84 HydrophobicContact CG1-CB 4.14Å; I21-I84 HydrophobicContact CG1-CG2 4.45Å; E22-I84 PolarHBondContact N-O 3.02Å; F44-I84 HydrophobicContact CE1-CD1 3.79Å; F44-I84 HydrophobicContact CE1-CG2 4.31Å; F44-I84 HydrophobicContact CZ-CD1 4.29Å; F60-I84 HydrophobicContact CB-CG2 3.79Å; F60-I84 HydrophobicContact CD1-CG2 3.97Å; F60-I84 HydrophobicContact CG-CG2 4.38Å; M61-I84 CarbonylContact O-C 3.56Å; M61-I84 WeakPolarHBondContact O-CA 3.28Å; Y62-I84 HydrophobicContact CD2-CG1 4.26Å; I67-I84 HydrophobicContact CD1-CD1 4.02Å; I67-I84 HydrophobicContact CD1-CG1 4.41Å
85	T	92.6	Very high	79.1	Confident	50 Å²	50	71.7 Å²	71.7	31%	0.307	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.4	170	-52.4	0	0	0	0	109.8	E22 F60 M61	E22-T85 CarbonylContact O-C 3.52Å; E22-T85 VanDerWaalsContact O-CA 3.3Å; E22-T85 WeakPolarHBondContact O-CA 3.12Å; F60-T85 WeakPolarHBondContact CA-O 3.22Å; M61-T85 PolarHBondContact N-O 2.94Å; M61-T85 PolarHBondContact O-N 3.16Å
86	A	91.5	Very high	78.7	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.5	166.7	0	0	0	0	0	109.2	I21 E22 D23 S24 F47 R59 F60	I21-A86 HydrophobicContact CG2-CB 3.72Å; E22-A86 PolarHBondContact O-N 3.18Å; D23-A86 WeakPolarHBondContact CA-O 3.47Å; S24-A86 PolarHBondContact N-O 2.76Å; F47-A86 HydrophobicContact CD1-CB 4.48Å; F47-A86 HydrophobicContact CE1-CB 3.58Å; F47-A86 HydrophobicContact CZ-CB 3.69Å; R59-A86 WeakPolarHBondContact O-CA 3.43Å; F60-A86 HydrophobicContact CD1-CB 4.16Å; F60-A86 HydrophobicContact CE1-CB 4.05Å
87	A	88.5	Confident	78.2	Confident	32 Å²	32	73.8 Å²	73.8	26%	0.264	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120	172.7	0	0	0	0	0	109.2	V58 R59 V89	V58-A87 CarbonylContact C-O 3.45Å; V58-A87 WeakPolarHBondContact CA-O 3.5Å; R59-A87 PolarHBondContact N-O 2.74Å; R59-A87 PolarHBondContact O-N 3.46Å; A87-V89 PolarHBondContact O-N 3.27Å
88	S	82.3	Confident	77.8	Confident	58 Å²	58	74.7 Å²	74.7	41%	0.406	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	134.9	173.1	-171	0	0	0	0	109.8	G57 Q90	G57-S88 WeakPolarHBondContact O-CA 3.2Å; G57-S88 PolarHBondContact O-OG 2.66Å; S88-Q90 PolarHBondContact O-N 3.31Å
89	V	77.2	Confident	77.2	Confident	26 Å²	26	78.5 Å²	78.5	16%	0.158	49%	0.486	C	S	.	.			trans	-75.6	76.8	169.6	-51.2	0	0	0	0	107	G57 R59 A87 I91	G57-V89 WeakPolarHBondContact O-CG2 2.76Å; G57-V89 PolarHBondContact O-N 2.86Å; R59-V89 HydrophobicContact CB-CG1 4.39Å; R59-V89 HydrophobicContact CG-CG1 3.54Å; A87-V89 PolarHBondContact O-N 3.27Å; V89-I91 VanDerWaalsContact C-N 3.26Å; V89-I91 PolarHBondContact O-N 2.84Å
90	Q	64.5	Low	76.3	Confident	162 Å²	162	77.1 Å²	77.1	76%	0.757	48%	0.483	S	S	*	.			trans	-67.8	92.4	174.4	-176.9	168.3	-8.2	0	0	108.1	S88 G92	S88-Q90 PolarHBondContact O-N 3.31Å; Q90-G92 PolarHBondContact NE2-O 3.12Å; Q90-G92 PolarHBondContact O-N 3.34Å
91	I	61.7	Low	75.5	Confident	169 Å²	169	74.3 Å²	74.3	87%	0.867	48%	0.48	S	S	*	.			trans	-81.5	25.3	165.6	59.7	160.4	0	0	0	111	V89	V89-I91 VanDerWaalsContact C-N 3.26Å; V89-I91 PolarHBondContact O-N 2.84Å
92	G	58.2	Low	74.4	Confident	44 Å²	44	71.7 Å²	71.7	45%	0.454	48%	0.478	S	S	.	.			trans	-119.3	73.9	-173.3	0	0	0	0	0	110.7	Q90	Q90-G92 PolarHBondContact NE2-O 3.12Å; Q90-G92 PolarHBondContact O-N 3.34Å
93	G	53.4	Low	73.1	Confident	79 Å²	79	77.2 Å²	77.2	81%	0.814	52%	0.515	S	S	*	.			trans	-118.6	64.4	160.3	0	0	0	0	0	108.3
94	A	46.2	Very low	71.5	Confident	97 Å²	97	76.4 Å²	76.4	80%	0.802	52%	0.519	S	S	*	.			trans	-96.5	90.5	164	0	0	0	0	0	106.9
95	S	48	Very low	69.5	Low	199 Å²	199	83.3 Å²	83.3	100%	1.392	57%	0.565	S	S	*	*			trans	-160.1	0	160.2	-62.1	0	0	0	0	108.4

Retrieved 95 of 95 residues in 26.7 ms (Link to these results)

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