A0A077ZJI3_TRITR Loading...

Cystatin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 72 aa.

						>A0A077ZJI3_TRITR|A0A077ZJI3
MDAASAQVKEVAHKSLADRNTKSNSVNHDVLIKIVEASGQVVSGMNYKLIAYIGPSKCAKKDVCHNLDCYLC
					

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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	78	Confident	89.3	Confident	105 Å²	105	68.4 Å²	68.4	52%	0.517	39%	0.389	S	S	.	.				0	158.8	0	-60.3	178.6	94.4	0	0	107.1	A3 V8 A37 G39 M45 Y47	M1-A3 PolarHBondContact O-N 2.91Å; M1-V8 HydrophobicContact CB-CG2 4.45Å; M1-A37 PolarHBondContact N-O 3.33Å; M1-G39 WeakPolarHBondContact SD-CA 3.44Å; M1-G39 PolarHBondContact SD-N 3.49Å; M1-G39 VanDerWaalsContact SD-N 3.37Å; M1-M45 HydrophobicContact CE-CE 3.88Å; M1-M45 HydrophobicContact SD-CE 4.38Å; M1-Y47 HydrophobicContact CE-CD1 4.29Å; M1-Y47 HydrophobicContact CE-CE1 3.6Å; M1-Y47 HydrophobicContact SD-CD1 3.86Å; M1-Y47 HydrophobicContact SD-CE1 3.8Å
2	D	84.1	Confident	89.7	Confident	107 Å²	107	63.3 Å²	63.3	57%	0.572	36%	0.362	S	S	*	.			trans	-72.8	122.6	174.9	179.4	10.6	0	0	0	110.2	A4 S5 V8	D2-A4 PolarHBondContact O-N 3.24Å; D2-A4 PolarHBondContact OD1-N 3.39Å; D2-S5 VanDerWaalsContact O-CB 3.29Å; D2-S5 WeakPolarHBondContact O-CB 3.46Å; D2-S5 PolarHBondContact O-N 2.74Å; D2-S5 VanDerWaalsContact O-N 3.07Å; D2-S5 PolarHBondContact O-OG 3.07Å; D2-V8 WeakPolarHBondContact O-CG2 3.29Å
3	A	86.4	Confident	89.8	Confident	28 Å²	28	60.8 Å²	60.8	23%	0.231	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.8	177.3	0	0	0	0	0	112.7	M1 V8 I34 A37	M1-A3 PolarHBondContact O-N 2.91Å; A3-V8 WeakPolarHBondContact O-CG1 3.41Å; A3-I34 HydrophobicContact CB-CG2 4.1Å; A3-A37 HydrophobicContact CB-CB 4.42Å
4	A	87.4	Confident	90	Very high	61 Å²	61	65.8 Å²	65.8	50%	0.504	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.9	177	0	0	0	0	0	113.8	D2	D2-A4 PolarHBondContact O-N 3.24Å; D2-A4 PolarHBondContact OD1-N 3.39Å
5	S	91.7	Very high	90.3	Very high	22 Å²	22	65.9 Å²	65.9	15%	0.154	37%	0.368	C	S	.	.	S	Bend	trans	-63.7	148	-176	64.9	0	0	0	0	112.9	D2 Q7 V8 K9	D2-S5 VanDerWaalsContact O-CB 3.29Å; D2-S5 WeakPolarHBondContact O-CB 3.46Å; D2-S5 PolarHBondContact O-N 2.74Å; D2-S5 VanDerWaalsContact O-N 3.07Å; D2-S5 PolarHBondContact O-OG 3.07Å; S5-Q7 VanDerWaalsContact C-N 3.29Å; S5-Q7 PolarHBondContact O-N 2.78Å; S5-V8 PolarHBondContact O-N 2.93Å; S5-V8 VanDerWaalsContact O-N 3.15Å; S5-V8 VanDerWaalsContact OG-CB 3.31Å; S5-V8 WeakPolarHBondContact OG-CB 3.41Å; S5-V8 WeakPolarHBondContact OG-CG2 3.31Å; S5-V8 PolarHBondContact OG-N 3.43Å; S5-K9 PolarHBondContact O-N 3.35Å
6	A	92	Very high	90.4	Very high	79 Å²	79	62.3 Å²	62.3	65%	0.653	35%	0.348	S	S	*	.	H	α-helix	trans	-58.5	-40	179	0	0	0	0	0	112.2	V8 K9 E10	A6-V8 PolarHBondContact O-N 3.37Å; A6-K9 PolarHBondContact O-N 3.06Å; A6-E10 PolarHBondContact O-N 3.21Å
7	Q	91.5	Very high	90.4	Very high	110 Å²	110	61.8 Å²	61.8	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-41.8	176.6	-67.3	106.7	-3.2	0	0	112	S5 K9 E10 V11	S5-Q7 VanDerWaalsContact C-N 3.29Å; S5-Q7 PolarHBondContact O-N 2.78Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; Q7-K9 PolarHBondContact O-N 3.48Å; Q7-E10 PolarHBondContact O-N 2.91Å; Q7-V11 WeakPolarHBondContact O-CG2 3.49Å; Q7-V11 PolarHBondContact O-N 3Å
8	V	93.5	Very high	90.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.3	-40.8	178.7	164.6	0	0	0	0	111.2	M1 D2 A3 S5 A6 V11 A12 I34 A37 L49	M1-V8 HydrophobicContact CB-CG2 4.45Å; D2-V8 WeakPolarHBondContact O-CG2 3.29Å; A3-V8 WeakPolarHBondContact O-CG1 3.41Å; S5-V8 PolarHBondContact O-N 2.93Å; S5-V8 VanDerWaalsContact O-N 3.15Å; S5-V8 VanDerWaalsContact OG-CB 3.31Å; S5-V8 WeakPolarHBondContact OG-CB 3.41Å; S5-V8 WeakPolarHBondContact OG-CG2 3.31Å; S5-V8 PolarHBondContact OG-N 3.43Å; A6-V8 PolarHBondContact O-N 3.37Å; V8-V11 PolarHBondContact O-N 3.35Å; V8-A12 WeakPolarHBondContact O-CB 3.38Å; V8-A12 PolarHBondContact O-N 2.95Å; V8-I34 HydrophobicContact CG1-CD1 3.6Å; V8-I34 HydrophobicContact CG1-CG2 4.04Å; V8-A37 HydrophobicContact CB-CB 4.31Å; V8-A37 HydrophobicContact CG1-CB 3.65Å; V8-A37 HydrophobicContact CG2-CB 3.6Å; V8-L49 HydrophobicContact CG1-CD2 3.73Å
9	K	92.1	Very high	90.7	Very high	108 Å²	108	64.2 Å²	64.2	47%	0.47	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-47.6	173	-69	-179	-177.9	179.2	0	111.5	S5 A6 Q7 V11 A12 H13	S5-K9 PolarHBondContact O-N 3.35Å; A6-K9 PolarHBondContact O-N 3.06Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; Q7-K9 PolarHBondContact O-N 3.48Å; K9-V11 PolarHBondContact O-N 2.94Å; K9-A12 WeakPolarHBondContact O-CB 3.26Å; K9-A12 PolarHBondContact O-N 3.28Å; K9-A12 VanDerWaalsContact O-N 3.16Å; K9-H13 PolarHBondContact O-CD2 2.88Å; K9-H13 PolarHBondContact O-N 2.9Å
10	E	92.5	Very high	90.7	Very high	101 Å²	101	61.8 Å²	61.8	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-57.8	-46.7	178.8	-172.5	-172	166.3	0	0	112.1	A6 Q7 A12 H13 K14	A6-E10 PolarHBondContact O-N 3.21Å; Q7-E10 PolarHBondContact O-N 2.91Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.46Å; E10-H13 PolarHBondContact O-N 3.32Å; E10-K14 WeakPolarHBondContact O-CG 3.14Å; E10-K14 PolarHBondContact O-N 3.48Å; E10-K14 VanDerWaalsContact OE1-CE 3.25Å; E10-K14 WeakPolarHBondContact OE1-CE 3.42Å; E10-K14 IonicContact OE1-NZ 3.72Å; E10-K14 PolarHBondContact OE1-NZ 3.15Å
11	V	93.7	Very high	90.7	Very high	31 Å²	31	64.6 Å²	64.6	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-43	177.1	177.2	0	0	0	0	110.6	Q7 V8 K9 H13 K14 S15 Y47 L49	Q7-V11 WeakPolarHBondContact O-CG2 3.49Å; Q7-V11 PolarHBondContact O-N 3Å; V8-V11 PolarHBondContact O-N 3.35Å; K9-V11 PolarHBondContact O-N 2.94Å; V11-H13 PolarHBondContact O-N 2.8Å; V11-K14 PolarHBondContact O-N 2.87Å; V11-S15 WeakPolarHBondContact O-CB 3.46Å; V11-S15 PolarHBondContact O-N 3.28Å; V11-S15 PolarHBondContact O-OG 2.9Å; V11-S15 VanDerWaalsContact O-OG 3.07Å; V11-Y47 HydrophobicContact CG1-CG 4.26Å; V11-Y47 HydrophobicContact CG2-CD1 4.23Å; V11-Y47 HydrophobicContact CG2-CD2 3.91Å; V11-Y47 HydrophobicContact CG2-CE1 4.36Å; V11-Y47 HydrophobicContact CG2-CE2 4.07Å; V11-Y47 HydrophobicContact CG2-CG 4Å; V11-L49 HydrophobicContact CB-CD1 4.31Å; V11-L49 HydrophobicContact CG1-CD1 3.54Å
12	A	94.1	Very high	91.4	Very high	8 Å²	8	66.5 Å²	66.5	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-44.7	177.1	0	0	0	0	0	112.2	V8 K9 E10 S15 L16 L31 I34 L49	V8-A12 WeakPolarHBondContact O-CB 3.38Å; V8-A12 PolarHBondContact O-N 2.95Å; K9-A12 WeakPolarHBondContact O-CB 3.26Å; K9-A12 PolarHBondContact O-N 3.28Å; K9-A12 VanDerWaalsContact O-N 3.16Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.46Å; A12-S15 PolarHBondContact O-N 3.06Å; A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 PolarHBondContact O-N 3.36Å; A12-L31 HydrophobicContact CB-CD1 4.37Å; A12-L31 HydrophobicContact CB-CD2 3.77Å; A12-I34 HydrophobicContact CB-CD1 3.66Å; A12-I34 HydrophobicContact CB-CG1 4.32Å; A12-L49 HydrophobicContact CB-CD2 3.96Å
13	H	91.1	Very high	91.8	Very high	30 Å²	30	62.9 Å²	62.9	14%	0.139	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-40.4	177.7	-61.5	-66.1	0	0	0	112.2	K9 E10 V11 L16 A17 L67 D68	K9-H13 PolarHBondContact O-CD2 2.88Å; K9-H13 PolarHBondContact O-N 2.9Å; E10-H13 PolarHBondContact O-N 3.32Å; V11-H13 PolarHBondContact O-N 2.8Å; H13-L16 PolarHBondContact O-N 3.33Å; H13-A17 WeakPolarHBondContact O-CB 3.33Å; H13-A17 PolarHBondContact O-N 3.5Å; H13-L67 HydrophobicContact CB-CB 4.33Å; H13-L67 HydrophobicContact CB-CD2 3.58Å; H13-L67 HydrophobicContact CB-CG 4.5Å; H13-D68 IonicContact CE1-OD1 2.65Å; H13-D68 PolarHBondContact CE1-OD1 2.98Å; H13-D68 IonicContact CE1-OD2 3.28Å; H13-D68 IonicContact ND1-OD1 3.96Å; H13-D68 PolarHBondContact ND1-OD1 2.62Å
14	K	92.2	Very high	92.2	Very high	131 Å²	131	69.6 Å²	69.6	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-62.2	-44.7	175	-73.8	179.2	-174.9	170.6	0	111.6	E10 V11 L16 A17 D18	E10-K14 WeakPolarHBondContact O-CG 3.14Å; E10-K14 PolarHBondContact O-N 3.48Å; E10-K14 VanDerWaalsContact OE1-CE 3.25Å; E10-K14 WeakPolarHBondContact OE1-CE 3.42Å; E10-K14 IonicContact OE1-NZ 3.72Å; E10-K14 PolarHBondContact OE1-NZ 3.15Å; V11-K14 PolarHBondContact O-N 2.87Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 2.92Å; K14-A17 PolarHBondContact O-N 3.16Å; K14-D18 PolarHBondContact O-N 2.99Å
15	S	93.9	Very high	92.4	Very high	67 Å²	67	69.1 Å²	69.1	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-39.1	175.6	-62.6	0	0	0	0	112.1	V11 A12 R19	V11-S15 WeakPolarHBondContact O-CB 3.46Å; V11-S15 PolarHBondContact O-N 3.28Å; V11-S15 PolarHBondContact O-OG 2.9Å; V11-S15 VanDerWaalsContact O-OG 3.07Å; A12-S15 PolarHBondContact O-N 3.06Å; S15-R19 WeakPolarHBondContact O-CB 3.09Å; S15-R19 PolarHBondContact O-N 2.9Å
16	L	92.4	Very high	92.5	Very high	9 Å²	9	73.3 Å²	73.3	5%	0.047	40%	0.4	C	S	.	.	H	α-helix	trans	-68.2	-41.9	178	-173.7	66.6	0	0	0	112.1	A12 H13 K14 R19 N20 D29 L31 I53	A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 PolarHBondContact O-N 3.36Å; H13-L16 PolarHBondContact O-N 3.33Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 2.92Å; L16-R19 PolarHBondContact O-N 3.44Å; L16-N20 WeakPolarHBondContact O-CB 3.46Å; L16-N20 PolarHBondContact O-N 2.79Å; L16-D29 HydrophobicContact CD1-CB 4.06Å; L16-L31 HydrophobicContact CD2-CB 4.05Å; L16-I53 HydrophobicContact CD1-CG2 4.11Å
17	A	90.1	Very high	92.6	Very high	53 Å²	53	71.9 Å²	71.9	44%	0.438	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.4	0	0	0	0	0	112	H13 K14 N20 T21	H13-A17 WeakPolarHBondContact O-CB 3.33Å; H13-A17 PolarHBondContact O-N 3.5Å; K14-A17 PolarHBondContact O-N 3.16Å; A17-N20 PolarHBondContact O-N 3.14Å; A17-T21 PolarHBondContact O-N 2.96Å; A17-T21 PolarHBondContact O-OG1 3.4Å
18	D	93.1	Very high	92.6	Very high	78 Å²	78	67.9 Å²	67.9	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-45	174.9	-176.9	73.2	0	0	0	111.5	K14 N20 T21 K22	K14-D18 PolarHBondContact O-N 2.99Å; D18-N20 PolarHBondContact O-N 2.87Å; D18-T21 PolarHBondContact O-N 3.07Å; D18-K22 WeakPolarHBondContact O-CG 3.25Å; D18-K22 PolarHBondContact O-N 3.3Å; D18-K22 WeakPolarHBondContact OD1-CE 3.48Å; D18-K22 IonicContact OD1-NZ 2.76Å; D18-K22 PolarHBondContact OD1-NZ 3.49Å; D18-K22 WeakPolarHBondContact OD2-CD 3.46Å; D18-K22 WeakPolarHBondContact OD2-CE 3.38Å; D18-K22 IonicContact OD2-NZ 2.73Å; D18-K22 PolarHBondContact OD2-NZ 3.01Å
19	R	92.9	Very high	92.5	Very high	91 Å²	91	68.2 Å²	68.2	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-41.4	176.8	-170	-179.6	157.1	-70.7	0.9	112.2	S15 L16 T21 K22 S23 D29 I53	S15-R19 WeakPolarHBondContact O-CB 3.09Å; S15-R19 PolarHBondContact O-N 2.9Å; L16-R19 PolarHBondContact O-N 3.44Å; R19-T21 VanDerWaalsContact C-N 3.27Å; R19-T21 PolarHBondContact O-N 2.86Å; R19-K22 PolarHBondContact O-N 2.83Å; R19-S23 WeakPolarHBondContact O-CB 3.26Å; R19-S23 PolarHBondContact O-N 2.79Å; R19-D29 IonicContact CZ-OD2 3.78Å; R19-D29 IonicContact NH1-OD1 3.16Å; R19-D29 IonicContact NH1-OD2 2.59Å; R19-D29 PolarHBondContact NH1-OD2 3.4Å; R19-D29 IonicContact NH2-OD1 2.86Å; R19-D29 IonicContact NH2-OD2 2.99Å; R19-D29 PolarHBondContact NH2-OD2 2.65Å; R19-I53 VanDerWaalsContact NE-CD1 3.27Å
20	N	91.4	Very high	92.5	Very high	17 Å²	17	63.5 Å²	63.5	9%	0.091	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-34.7	176.5	-82.1	-25.3	0	0	0	112.2	L16 A17 D18 D29 K60	L16-N20 WeakPolarHBondContact O-CB 3.46Å; L16-N20 PolarHBondContact O-N 2.79Å; A17-N20 PolarHBondContact O-N 3.14Å; D18-N20 PolarHBondContact O-N 2.87Å; N20-D29 PolarHBondContact ND2-O 2.9Å; N20-D29 PolarHBondContact OD1-N 3.46Å; N20-K60 WeakPolarHBondContact O-CE 3.34Å; N20-K60 PolarHBondContact O-NZ 3.03Å
21	T	90.4	Very high	92.5	Very high	120 Å²	120	59.9 Å²	59.9	74%	0.736	33%	0.328	S	S	*	.	H	α-helix	trans	-69	-35.6	174.6	-54.1	0	0	0	0	112.2	A17 D18 R19	A17-T21 PolarHBondContact O-N 2.96Å; A17-T21 PolarHBondContact O-OG1 3.4Å; D18-T21 PolarHBondContact O-N 3.07Å; R19-T21 VanDerWaalsContact C-N 3.27Å; R19-T21 PolarHBondContact O-N 2.86Å
22	K	93.7	Very high	92.4	Very high	146 Å²	146	63.5 Å²	63.5	64%	0.635	35%	0.345	S	S	*	.	H	α-helix	trans	-94.7	-20.7	-173.3	-68	172.9	-178.3	166.4	0	115.3	D18 R19	D18-K22 WeakPolarHBondContact O-CG 3.25Å; D18-K22 PolarHBondContact O-N 3.3Å; D18-K22 WeakPolarHBondContact OD1-CE 3.48Å; D18-K22 IonicContact OD1-NZ 2.76Å; D18-K22 PolarHBondContact OD1-NZ 3.49Å; D18-K22 WeakPolarHBondContact OD2-CD 3.46Å; D18-K22 WeakPolarHBondContact OD2-CE 3.38Å; D18-K22 IonicContact OD2-NZ 2.73Å; D18-K22 PolarHBondContact OD2-NZ 3.01Å; R19-K22 PolarHBondContact O-N 2.83Å
23	S	92.7	Very high	92.4	Very high	31 Å²	31	69.3 Å²	69.3	22%	0.217	37%	0.369	C	S	.	.			trans	-75.9	153.7	-178.1	159.2	0	0	0	0	111.9	R19 S25 K60	R19-S23 WeakPolarHBondContact O-CB 3.26Å; R19-S23 PolarHBondContact O-N 2.79Å; S23-S25 WeakPolarHBondContact OG-CB 3.31Å; S23-S25 PolarHBondContact OG-N 3.39Å; S23-S25 PolarHBondContact OG-OG 2.01Å; S23-K60 PolarHBondContact O-NZ 3.28Å; S23-K60 PolarHBondContact OG-NZ 3.01Å
24	N	93.9	Very high	92.6	Very high	169 Å²	169	69 Å²	69	90%	0.904	37%	0.368	S	S	*	.			trans	-96	11.5	170.8	-66.7	-40.7	0	0	0	113.4
25	S	92.7	Very high	92.7	Very high	50 Å²	50	65.6 Å²	65.6	35%	0.35	36%	0.358	S	S	.	.			trans	-57.4	146.3	174.3	-78.8	0	0	0	0	111.8	S23 N27 K60	S23-S25 WeakPolarHBondContact OG-CB 3.31Å; S23-S25 PolarHBondContact OG-N 3.39Å; S23-S25 PolarHBondContact OG-OG 2.01Å; S25-N27 VanDerWaalsContact C-N 3.29Å; S25-N27 WeakPolarHBondContact CB-O 3.33Å; S25-K60 WeakPolarHBondContact O-CD 3.24Å; S25-K60 WeakPolarHBondContact O-CE 3.35Å; S25-K60 WeakPolarHBondContact O-CG 3.23Å
26	V	93.7	Very high	92.8	Very high	111 Å²	111	68 Å²	68	67%	0.673	36%	0.362	S	S	*	.	S	Bend	trans	-66.3	-35.9	173.2	-179.8	0	0	0	0	111.2	A59 K60	V26-A59 CarbonylContact O-C 3.5Å; V26-A59 WeakPolarHBondContact O-CA 3.01Å; V26-K60 PolarHBondContact O-N 3.23Å
27	N	92.4	Very high	93	Very high	48 Å²	48	68.2 Å²	68.2	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	155.9	-177.4	-63.1	80.8	0	0	0	112	S25 P55 S56 C58 K60	S25-N27 VanDerWaalsContact C-N 3.29Å; S25-N27 WeakPolarHBondContact CB-O 3.33Å; N27-P55 HydrophobicContact CB-CB 4.22Å; N27-S56 WeakPolarHBondContact CB-O 3.46Å; N27-S56 PolarHBondContact ND2-O 2.9Å; N27-C58 CarbonylContact C-O 3.54Å; N27-C58 VanDerWaalsContact CA-O 3.23Å; N27-C58 WeakPolarHBondContact CA-O 3.39Å; N27-C58 WeakPolarHBondContact CB-O 3.48Å; N27-C58 PolarHBondContact ND2-O 3.36Å; N27-K60 WeakPolarHBondContact O-CE 3.03Å
28	H	91.4	Very high	93.2	Very high	26 Å²	26	68.5 Å²	68.5	12%	0.12	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.6	163.8	-65.7	-72.4	0	0	0	109	S56 C58 A59 K60 D62 C64 C69	H28-S56 VanDerWaalsContact O-CB 3.24Å; H28-S56 WeakPolarHBondContact O-CB 3.36Å; H28-S56 PolarHBondContact O-N 3.35Å; H28-S56 PolarHBondContact O-OG 3.23Å; H28-S56 VanDerWaalsContact O-OG 3.11Å; H28-C58 PolarHBondContact N-O 2.84Å; H28-A59 PolarHBondContact CD2-O 2.91Å; H28-A59 VanDerWaalsContact CD2-O 3.23Å; H28-A59 PolarHBondContact NE2-O 3.39Å; H28-K60 WeakPolarHBondContact NE2-CA 3.47Å; H28-D62 PolarHBondContact NE2-O 3.28Å; H28-D62 VanDerWaalsContact NE2-O 3.09Å; H28-C64 PolarHBondContact CD2-SG 3.35Å; H28-C69 HydrophobicContact CB-CB 4.08Å
29	D	92.5	Very high	93.3	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.043	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	147.8	167.4	-71.5	-77.7	0	0	0	110.5	L16 R19 N20 G54	L16-D29 HydrophobicContact CD1-CB 4.06Å; R19-D29 IonicContact CZ-OD2 3.78Å; R19-D29 IonicContact NH1-OD1 3.16Å; R19-D29 IonicContact NH1-OD2 2.59Å; R19-D29 PolarHBondContact NH1-OD2 3.4Å; R19-D29 IonicContact NH2-OD1 2.86Å; R19-D29 IonicContact NH2-OD2 2.99Å; R19-D29 PolarHBondContact NH2-OD2 2.65Å; N20-D29 PolarHBondContact ND2-O 2.9Å; N20-D29 PolarHBondContact OD1-N 3.46Å; D29-G54 CarbonylContact C-O 3.49Å; D29-G54 VanDerWaalsContact CA-O 3.26Å; D29-G54 WeakPolarHBondContact CA-O 3.24Å
30	V	92.2	Very high	93.3	Very high	9 Å²	9	67.8 Å²	67.8	6%	0.055	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.8	-179.9	-71.1	0	0	0	0	111.4	I32 I53 G54 D68 C69	V30-I32 PolarHBondContact O-N 2.89Å; V30-I53 VanDerWaalsContact O-CA 3.23Å; V30-I53 WeakPolarHBondContact O-CA 2.97Å; V30-G54 VanDerWaalsContact CG2-O 3.31Å; V30-G54 WeakPolarHBondContact CG2-O 2.96Å; V30-G54 PolarHBondContact N-O 2.04Å; V30-G54 PolarHBondContact O-N 2.77Å; V30-G54 VanDerWaalsContact O-N 3.14Å; V30-D68 WeakPolarHBondContact CG1-O 3.38Å; V30-C69 HydrophobicContact CG1-CB 3.56Å
31	L	91.9	Very high	93.4	Very high	24 Å²	24	72.8 Å²	72.8	13%	0.126	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.5	174.6	-174.6	65.8	0	0	0	109.2	A12 L16 I34 A51 I53	A12-L31 HydrophobicContact CB-CD1 4.37Å; A12-L31 HydrophobicContact CB-CD2 3.77Å; L16-L31 HydrophobicContact CD2-CB 4.05Å; L31-I34 HydrophobicContact CD1-CG1 4.16Å; L31-I34 HydrophobicContact CD2-CD1 4.19Å; L31-I34 HydrophobicContact CD2-CG1 4.12Å; L31-A51 HydrophobicContact CD1-CB 3.83Å; L31-I53 HydrophobicContact CD1-CG2 4.34Å
32	I	92.8	Very high	93.5	Very high	108 Å²	108	71 Å²	71	55%	0.554	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	-51.6	177.4	-60.9	172.2	0	0	0	109.8	V30 Y52	V30-I32 PolarHBondContact O-N 2.89Å; I32-Y52 WeakPolarHBondContact CB-O 2.94Å; I32-Y52 PolarHBondContact N-O 3.06Å
33	K	93	Very high	93.5	Very high	130 Å²	130	70.7 Å²	70.7	57%	0.565	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.4	139.7	-177	177.7	175.9	177.9	-178.4	0	111.2	A51 Y52	K33-A51 CarbonylContact O-C 3.53Å; K33-A51 VanDerWaalsContact O-CA 3.23Å; K33-A51 WeakPolarHBondContact O-CA 2.92Å; K33-A51 WeakPolarHBondContact O-CB 3.45Å; K33-Y52 HydrophobicContact CB-CD2 4.44Å; K33-Y52 PolarHBondContact N-O 2.59Å; K33-Y52 PolarHBondContact O-N 2.76Å
34	I	95.1	Very high	93.4	Very high	24 Å²	24	71.3 Å²	71.3	12%	0.123	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.1	164.9	-55.3	175.9	0	0	0	107.8	A3 V8 A12 L31 L49 A51	A3-I34 HydrophobicContact CB-CG2 4.1Å; V8-I34 HydrophobicContact CG1-CD1 3.6Å; V8-I34 HydrophobicContact CG1-CG2 4.04Å; A12-I34 HydrophobicContact CB-CD1 3.66Å; A12-I34 HydrophobicContact CB-CG1 4.32Å; L31-I34 HydrophobicContact CD1-CG1 4.16Å; L31-I34 HydrophobicContact CD2-CD1 4.19Å; L31-I34 HydrophobicContact CD2-CG1 4.12Å; I34-L49 HydrophobicContact CD1-CD2 4.22Å; I34-L49 HydrophobicContact CG2-CD2 4.32Å; I34-A51 HydrophobicContact CG1-CB 4.41Å
35	V	95.8	Very high	93.3	Very high	58 Å²	58	67.2 Å²	67.2	35%	0.352	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-48.9	-179.5	-170	0	0	0	0	109.7	I50 Y52	V35-I50 HydrophobicContact CB-CB 4.5Å; V35-I50 HydrophobicContact CB-CG2 4.24Å; V35-I50 WeakPolarHBondContact CB-O 3.45Å; V35-I50 HydrophobicContact CG2-CG2 4.45Å; V35-I50 PolarHBondContact N-O 3.28Å; V35-Y52 HydrophobicContact CG2-CD2 3.49Å; V35-Y52 VanDerWaalsContact CG2-CD2 3.49Å; V35-Y52 HydrophobicContact CG2-CE2 3.37Å
36	E	95.6	Very high	93.3	Very high	118 Å²	118	69 Å²	69	55%	0.551	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.7	-176.7	-62.6	-178.7	-175.9	0	0	110.6	L49 I50	E36-L49 WeakPolarHBondContact O-CA 3.23Å; E36-I50 HydrophobicContact CB-CB 4.21Å; E36-I50 HydrophobicContact CB-CG1 4.46Å; E36-I50 PolarHBondContact N-O 3.49Å; E36-I50 PolarHBondContact O-N 3.34Å
37	A	95.7	Very high	93.3	Very high	14 Å²	14	67 Å²	67	12%	0.116	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.6	174.2	0	0	0	0	0	111.4	M1 A3 V8	M1-A37 PolarHBondContact N-O 3.33Å; A3-A37 HydrophobicContact CB-CB 4.42Å; V8-A37 HydrophobicContact CB-CB 4.31Å; V8-A37 HydrophobicContact CG1-CB 3.65Å; V8-A37 HydrophobicContact CG2-CB 3.6Å
38	S	95.1	Very high	93.4	Very high	58 Å²	58	71.3 Å²	71.3	41%	0.406	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.9	175.2	62.1	0	0	0	0	110.1	K48	S38-K48 PolarHBondContact N-O 2.86Å; S38-K48 PolarHBondContact O-N 3.11Å; S38-K48 WeakPolarHBondContact OG-CB 3.44Å; S38-K48 PolarHBondContact OG-O 3.04Å
39	G	94	Very high	93.6	Very high	35 Å²	35	72.2 Å²	72.2	36%	0.361	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.5	178.5	0	0	0	0	0	110.1	M1 N46	M1-G39 WeakPolarHBondContact SD-CA 3.44Å; M1-G39 PolarHBondContact SD-N 3.49Å; M1-G39 VanDerWaalsContact SD-N 3.37Å; G39-N46 CarbonylContact C-O 3.59Å; G39-N46 VanDerWaalsContact CA-O 3.26Å; G39-N46 WeakPolarHBondContact CA-O 3.38Å
40	Q	93.4	Very high	93.8	Very high	120 Å²	120	75.8 Å²	75.8	56%	0.561	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.9	176.6	-173.7	-179.8	40.6	0	0	109	V42 N46	Q40-V42 HydrophobicContact CG-CG1 4.05Å; Q40-N46 HydrophobicContact CB-CB 4.48Å; Q40-N46 PolarHBondContact N-O 3.49Å; Q40-N46 PolarHBondContact O-N 2.95Å
41	V	93.9	Very high	93.9	Very high	122 Å²	122	77.3 Å²	77.3	74%	0.739	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	126	170.7	-177.7	0	0	0	0	108.1	M45	V41-M45 HydrophobicContact CB-SD 4.35Å; V41-M45 HydrophobicContact CG2-SD 3.63Å
42	V	91.2	Very high	94.1	Very high	83 Å²	83	83.2 Å²	83.2	50%	0.503	46%	0.456	S	S	.	.	S	Bend	trans	-136.9	-143.9	176.2	-66.1	0	0	0	0	107.9	Q40 G44 N46	Q40-V42 HydrophobicContact CG-CG1 4.05Å; V42-G44 CarbonylContact C-O 3.54Å; V42-G44 PolarHBondContact N-O 3.35Å; V42-G44 PolarHBondContact O-N 2.94Å; V42-N46 HydrophobicContact CG2-CB 4.27Å
43	S	93.7	Very high	94.1	Very high	139 Å²	139	81.2 Å²	81.2	97%	0.972	45%	0.446	S	S	*	.	S	Bend	trans	-71.4	51.1	162.3	-54.6	0	0	0	0	111.7
44	G	91.6	Very high	94.1	Very high	44 Å²	44	75.6 Å²	75.6	45%	0.454	43%	0.425	S	S	.	.	S	Bend	trans	137.8	-163.6	-166.3	0	0	0	0	0	111.4	V42	V42-G44 CarbonylContact C-O 3.54Å; V42-G44 PolarHBondContact N-O 3.35Å; V42-G44 PolarHBondContact O-N 2.94Å
45	M	90.9	Very high	93.9	Very high	83 Å²	83	79.2 Å²	79.2	41%	0.409	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.7	172.8	-82	-66.9	-66	0	0	109.8	M1 V41 Y47	M1-M45 HydrophobicContact CE-CE 3.88Å; M1-M45 HydrophobicContact SD-CE 4.38Å; V41-M45 HydrophobicContact CB-SD 4.35Å; V41-M45 HydrophobicContact CG2-SD 3.63Å; M45-Y47 HydrophobicContact CB-CD2 4.23Å; M45-Y47 HydrophobicContact CB-CE2 3.5Å; M45-Y47 VanDerWaalsContact CB-CE2 3.5Å; M45-Y47 HydrophobicContact CE-CE1 4.19Å
46	N	93.7	Very high	93.6	Very high	87 Å²	87	77.2 Å²	77.2	47%	0.465	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.3	170.2	-173.9	23.1	0	0	0	109.5	G39 Q40 V42	G39-N46 CarbonylContact C-O 3.59Å; G39-N46 VanDerWaalsContact CA-O 3.26Å; G39-N46 WeakPolarHBondContact CA-O 3.38Å; Q40-N46 HydrophobicContact CB-CB 4.48Å; Q40-N46 PolarHBondContact N-O 3.49Å; Q40-N46 PolarHBondContact O-N 2.95Å; V42-N46 HydrophobicContact CG2-CB 4.27Å
47	Y	94	Very high	93.3	Very high	68 Å²	68	81.2 Å²	81.2	27%	0.267	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126	179	-65.5	-92.7	0	0	0	109.9	M1 V11 M45	M1-Y47 HydrophobicContact CE-CD1 4.29Å; M1-Y47 HydrophobicContact CE-CE1 3.6Å; M1-Y47 HydrophobicContact SD-CD1 3.86Å; M1-Y47 HydrophobicContact SD-CE1 3.8Å; V11-Y47 HydrophobicContact CG1-CG 4.26Å; V11-Y47 HydrophobicContact CG2-CD1 4.23Å; V11-Y47 HydrophobicContact CG2-CD2 3.91Å; V11-Y47 HydrophobicContact CG2-CE1 4.36Å; V11-Y47 HydrophobicContact CG2-CE2 4.07Å; V11-Y47 HydrophobicContact CG2-CG 4Å; M45-Y47 HydrophobicContact CB-CD2 4.23Å; M45-Y47 HydrophobicContact CB-CE2 3.5Å; M45-Y47 VanDerWaalsContact CB-CE2 3.5Å; M45-Y47 HydrophobicContact CE-CE1 4.19Å
48	K	95.1	Very high	93	Very high	139 Å²	139	80.6 Å²	80.6	60%	0.604	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.6	170	179	-174.8	-177.5	-174.5	0	108.8	S38	S38-K48 PolarHBondContact N-O 2.86Å; S38-K48 PolarHBondContact O-N 3.11Å; S38-K48 WeakPolarHBondContact OG-CB 3.44Å; S38-K48 PolarHBondContact OG-O 3.04Å
49	L	95.1	Very high	92.7	Very high	45 Å²	45	78.6 Å²	78.6	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141	177.8	-61.6	98.2	0	0	0	110.6	V8 V11 A12 I34 E36	V8-L49 HydrophobicContact CG1-CD2 3.73Å; V11-L49 HydrophobicContact CB-CD1 4.31Å; V11-L49 HydrophobicContact CG1-CD1 3.54Å; A12-L49 HydrophobicContact CB-CD2 3.96Å; I34-L49 HydrophobicContact CD1-CD2 4.22Å; I34-L49 HydrophobicContact CG2-CD2 4.32Å; E36-L49 WeakPolarHBondContact O-CA 3.23Å
50	I	96	Very high	92.4	Very high	83 Å²	83	79.7 Å²	79.7	43%	0.426	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.9	162.6	-58.5	-172.9	0	0	0	106.8	V35 E36	V35-I50 HydrophobicContact CB-CB 4.5Å; V35-I50 HydrophobicContact CB-CG2 4.24Å; V35-I50 WeakPolarHBondContact CB-O 3.45Å; V35-I50 HydrophobicContact CG2-CG2 4.45Å; V35-I50 PolarHBondContact N-O 3.28Å; E36-I50 HydrophobicContact CB-CB 4.21Å; E36-I50 HydrophobicContact CB-CG1 4.46Å; E36-I50 PolarHBondContact N-O 3.49Å; E36-I50 PolarHBondContact O-N 3.34Å
51	A	95	Very high	92.1	Very high	41 Å²	41	82.5 Å²	82.5	34%	0.339	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.9	-175.9	0	0	0	0	0	111.7	L31 K33 I34	L31-A51 HydrophobicContact CD1-CB 3.83Å; K33-A51 CarbonylContact O-C 3.53Å; K33-A51 VanDerWaalsContact O-CA 3.23Å; K33-A51 WeakPolarHBondContact O-CA 2.92Å; K33-A51 WeakPolarHBondContact O-CB 3.45Å; I34-A51 HydrophobicContact CG1-CB 4.41Å
52	Y	95.3	Very high	91.7	Very high	148 Å²	148	79.5 Å²	79.5	58%	0.58	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.4	165	-69.8	-74.3	0	0	0	109	I32 K33 V35	I32-Y52 WeakPolarHBondContact CB-O 2.94Å; I32-Y52 PolarHBondContact N-O 3.06Å; K33-Y52 HydrophobicContact CB-CD2 4.44Å; K33-Y52 PolarHBondContact N-O 2.59Å; K33-Y52 PolarHBondContact O-N 2.76Å; V35-Y52 HydrophobicContact CG2-CD2 3.49Å; V35-Y52 VanDerWaalsContact CG2-CD2 3.49Å; V35-Y52 HydrophobicContact CG2-CE2 3.37Å
53	I	93.5	Very high	91	Very high	67 Å²	67	80.4 Å²	80.4	34%	0.344	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.7	171.9	64.5	178.6	0	0	0	108.7	L16 R19 V30 L31	L16-I53 HydrophobicContact CD1-CG2 4.11Å; R19-I53 VanDerWaalsContact NE-CD1 3.27Å; V30-I53 VanDerWaalsContact O-CA 3.23Å; V30-I53 WeakPolarHBondContact O-CA 2.97Å; L31-I53 HydrophobicContact CD1-CG2 4.34Å
54	G	92.1	Very high	89.9	Confident	11 Å²	11	75.3 Å²	75.3	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.5	174.4	0	0	0	0	0	112.4	D29 V30	D29-G54 CarbonylContact C-O 3.49Å; D29-G54 VanDerWaalsContact CA-O 3.26Å; D29-G54 WeakPolarHBondContact CA-O 3.24Å; V30-G54 VanDerWaalsContact CG2-O 3.31Å; V30-G54 WeakPolarHBondContact CG2-O 2.96Å; V30-G54 PolarHBondContact N-O 2.04Å; V30-G54 PolarHBondContact O-N 2.77Å; V30-G54 VanDerWaalsContact O-N 3.14Å
55	P	91.6	Very high	88.6	Confident	100 Å²	100	79.9 Å²	79.9	65%	0.649	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.9	-178.3	27.1	-34.1	0	0	0	110.9	N27	N27-P55 HydrophobicContact CB-CB 4.22Å
56	S	90.5	Very high	87.3	Confident	16 Å²	16	81.2 Å²	81.2	11%	0.112	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	177.7	169.6	89.4	0	0	0	0	111.1	N27 H28 C58 C69	N27-S56 WeakPolarHBondContact CB-O 3.46Å; N27-S56 PolarHBondContact ND2-O 2.9Å; H28-S56 VanDerWaalsContact O-CB 3.24Å; H28-S56 WeakPolarHBondContact O-CB 3.36Å; H28-S56 PolarHBondContact O-N 3.35Å; H28-S56 PolarHBondContact O-OG 3.23Å; H28-S56 VanDerWaalsContact O-OG 3.11Å; S56-C58 VanDerWaalsContact C-N 3.26Å; S56-C58 WeakPolarHBondContact OG-CB 3.47Å; S56-C58 PolarHBondContact OG-N 3.23Å; S56-C58 PolarHBondContact OG-O 3.49Å; S56-C69 PolarHBondContact OG-O 3.09Å
57	K	87.6	Confident	85.8	Confident	203 Å²	203	82.9 Å²	82.9	88%	0.883	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	-7.4	172	-64.1	-175.6	179.7	-179	0	113.2
58	C	89.2	Confident	84.3	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.007	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124	-177.5	-56.7	0	0	0	0	110.4	N27 H28 S56 C69 C72	N27-C58 CarbonylContact C-O 3.54Å; N27-C58 VanDerWaalsContact CA-O 3.23Å; N27-C58 WeakPolarHBondContact CA-O 3.39Å; N27-C58 WeakPolarHBondContact CB-O 3.48Å; N27-C58 PolarHBondContact ND2-O 3.36Å; H28-C58 PolarHBondContact N-O 2.84Å; S56-C58 VanDerWaalsContact C-N 3.26Å; S56-C58 WeakPolarHBondContact OG-CB 3.47Å; S56-C58 PolarHBondContact OG-N 3.23Å; S56-C58 PolarHBondContact OG-O 3.49Å; C58-C69 PolarHBondContact SG-O 3.2Å; C58-C69 VanDerWaalsContact SG-O 3.39Å; C58-C72 WeakPolarHBondContact CA-SG 3.48Å; C58-C72 HydrophobicContact CB-CB 3.61Å; C58-C72 WeakPolarHBondContact CB-SG 3.41Å; C58-C72 WeakPolarHBondContact SG-CB 3.25Å; C58-C72 PolarHBondContact SG-N 3.06Å; C58-C72 CovalentContact SG-SG 2.04Å; C58-C72 PolarHBondContact SG-SG 3.25Å
59	A	90.3	Very high	83.1	Confident	16 Å²	16	76.1 Å²	76.1	13%	0.132	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	155.7	173.6	0	0	0	0	0	109.3	V26 H28 K61 D62	V26-A59 CarbonylContact O-C 3.5Å; V26-A59 WeakPolarHBondContact O-CA 3.01Å; H28-A59 PolarHBondContact CD2-O 2.91Å; H28-A59 VanDerWaalsContact CD2-O 3.23Å; H28-A59 PolarHBondContact NE2-O 3.39Å; A59-K61 HydrophobicContact CB-CG 3.72Å; A59-K61 PolarHBondContact O-N 2.73Å; A59-K61 VanDerWaalsContact O-N 3.14Å; A59-D62 VanDerWaalsContact CB-OD2 3.25Å; A59-D62 WeakPolarHBondContact CB-OD2 3.37Å; A59-D62 PolarHBondContact N-OD2 2.9Å; A59-D62 WeakPolarHBondContact O-CA 3.06Å; A59-D62 WeakPolarHBondContact O-CB 3.43Å; A59-D62 PolarHBondContact O-N 2.76Å
60	K	87.7	Confident	81.4	Confident	57 Å²	57	81.3 Å²	81.3	25%	0.248	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.5	178.1	-71.9	-160.7	179.3	-172.2	0	114.3	N20 S23 S25 V26 N27 H28 D62	N20-K60 WeakPolarHBondContact O-CE 3.34Å; N20-K60 PolarHBondContact O-NZ 3.03Å; S23-K60 PolarHBondContact O-NZ 3.28Å; S23-K60 PolarHBondContact OG-NZ 3.01Å; S25-K60 WeakPolarHBondContact O-CD 3.24Å; S25-K60 WeakPolarHBondContact O-CE 3.35Å; S25-K60 WeakPolarHBondContact O-CG 3.23Å; V26-K60 PolarHBondContact O-N 3.23Å; N27-K60 WeakPolarHBondContact O-CE 3.03Å; H28-K60 WeakPolarHBondContact NE2-CA 3.47Å; K60-D62 VanDerWaalsContact C-N 3.26Å
61	K	87.2	Confident	79.4	Confident	180 Å²	180	83 Å²	83	78%	0.783	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.8	172.9	59.7	163.9	-170.1	163.1	0	113.1	A59	A59-K61 HydrophobicContact CB-CG 3.72Å; A59-K61 PolarHBondContact O-N 2.73Å; A59-K61 VanDerWaalsContact O-N 3.14Å
62	D	85.2	Confident	78	Confident	58 Å²	58	85.8 Å²	85.8	31%	0.31	44%	0.435	S	S	.	.	S	Bend	trans	-86.3	139.9	180	-51.7	-36.4	0	0	0	108.9	H28 A59 K60 C64 C72	H28-D62 PolarHBondContact NE2-O 3.28Å; H28-D62 VanDerWaalsContact NE2-O 3.09Å; A59-D62 VanDerWaalsContact CB-OD2 3.25Å; A59-D62 WeakPolarHBondContact CB-OD2 3.37Å; A59-D62 PolarHBondContact N-OD2 2.9Å; A59-D62 WeakPolarHBondContact O-CA 3.06Å; A59-D62 WeakPolarHBondContact O-CB 3.43Å; A59-D62 PolarHBondContact O-N 2.76Å; K60-D62 VanDerWaalsContact C-N 3.26Å; D62-C64 PolarHBondContact O-N 3.27Å; D62-C72 HydrophobicContact CB-CB 3.88Å
63	V	75.9	Confident	77.1	Confident	102 Å²	102	82.7 Å²	82.7	62%	0.618	43%	0.428	S	S	*	.			trans	-75.1	112.6	178.4	-179.8	0	0	0	0	108.7	H65	V63-H65 PolarHBondContact O-N 2.82Å
64	C	69.8	Low	76.3	Confident	33 Å²	33	83.5 Å²	83.5	22%	0.223	43%	0.432	C	S	.	.			trans	-72.6	116.6	167.9	-83.4	0	0	0	0	110.4	H28 D62 N66 C69	H28-C64 PolarHBondContact CD2-SG 3.35Å; D62-C64 PolarHBondContact O-N 3.27Å; C64-N66 VanDerWaalsContact C-N 3.26Å; C64-N66 PolarHBondContact O-N 2.75Å; C64-C69 HydrophobicContact CB-CB 4.08Å; C64-C69 WeakPolarHBondContact CB-SG 3.4Å; C64-C69 WeakPolarHBondContact SG-CA 3.11Å; C64-C69 WeakPolarHBondContact SG-CB 3.48Å; C64-C69 CovalentContact SG-SG 2.01Å; C64-C69 PolarHBondContact SG-SG 3.41Å
65	H	64.1	Low	75.4	Confident	140 Å²	140	87.6 Å²	87.6	65%	0.648	45%	0.45	S	S	*	.			trans	-81.5	3.6	-179.6	-85.9	95.8	0	0	0	114.8	V63 L71	V63-H65 PolarHBondContact O-N 2.82Å; H65-L71 PolarHBondContact N-O 3.14Å
66	N	64.8	Low	74.5	Confident	111 Å²	111	86.8 Å²	86.8	59%	0.594	44%	0.438	S	S	*	.	S	Bend	trans	-152	164.7	179.2	-74.8	-43.7	0	0	0	111.7	C64 D68 C69	C64-N66 VanDerWaalsContact C-N 3.26Å; C64-N66 PolarHBondContact O-N 2.75Å; N66-D68 PolarHBondContact O-N 3.43Å; N66-C69 PolarHBondContact O-N 2.85Å
67	L	62.9	Low	73.5	Confident	121 Å²	121	91.3 Å²	91.3	63%	0.634	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	177.9	-73.3	143.2	0	0	0	114.1	H13	H13-L67 HydrophobicContact CB-CB 4.33Å; H13-L67 HydrophobicContact CB-CD2 3.58Å; H13-L67 HydrophobicContact CB-CG 4.5Å
68	D	62.2	Low	72.5	Confident	56 Å²	56	83.8 Å²	83.8	30%	0.299	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	9	-175	-65.8	-45.8	0	0	0	114.3	H13 V30 N66 Y70	H13-D68 IonicContact CE1-OD1 2.65Å; H13-D68 PolarHBondContact CE1-OD1 2.98Å; H13-D68 IonicContact CE1-OD2 3.28Å; H13-D68 IonicContact ND1-OD1 3.96Å; H13-D68 PolarHBondContact ND1-OD1 2.62Å; V30-D68 WeakPolarHBondContact CG1-O 3.38Å; N66-D68 PolarHBondContact O-N 3.43Å; D68-Y70 HydrophobicContact CB-CD2 3.47Å; D68-Y70 VanDerWaalsContact CB-CD2 3.47Å; D68-Y70 HydrophobicContact CB-CE2 3.64Å; D68-Y70 WeakPolarHBondContact O-CD2 3.18Å; D68-Y70 PolarHBondContact O-N 2.86Å
69	C	68.3	Low	71.3	Confident	9 Å²	9	89.7 Å²	89.7	6%	0.061	46%	0.461	C	S	.	.			trans	44.3	30.9	169.6	-83.1	0	0	0	0	116.3	H28 V30 S56 C58 C64 N66	H28-C69 HydrophobicContact CB-CB 4.08Å; V30-C69 HydrophobicContact CG1-CB 3.56Å; S56-C69 PolarHBondContact OG-O 3.09Å; C58-C69 PolarHBondContact SG-O 3.2Å; C58-C69 VanDerWaalsContact SG-O 3.39Å; C64-C69 HydrophobicContact CB-CB 4.08Å; C64-C69 WeakPolarHBondContact CB-SG 3.4Å; C64-C69 WeakPolarHBondContact SG-CA 3.11Å; C64-C69 WeakPolarHBondContact SG-CB 3.48Å; C64-C69 CovalentContact SG-SG 2.01Å; C64-C69 PolarHBondContact SG-SG 3.41Å; N66-C69 PolarHBondContact O-N 2.85Å
70	Y	59.7	Low	69.9	Low	155 Å²	155	95.4 Å²	95.4	61%	0.608	49%	0.486	S	S	*	.			trans	-84.3	-21.4	178.9	-78.5	-72.1	0	0	0	112.8	D68	D68-Y70 HydrophobicContact CB-CD2 3.47Å; D68-Y70 VanDerWaalsContact CB-CD2 3.47Å; D68-Y70 HydrophobicContact CB-CE2 3.64Å; D68-Y70 WeakPolarHBondContact O-CD2 3.18Å; D68-Y70 PolarHBondContact O-N 2.86Å
71	L	54.9	Low	68.4	Low	117 Å²	117	98.6 Å²	98.6	61%	0.613	51%	0.506	S	S	*	.			trans	-126.6	111.8	179.1	-81.4	143.4	0	0	0	109.2	H65	H65-L71 PolarHBondContact N-O 3.14Å
72	C	65.5	Low	66.7	Low	101 Å²	101	91.2 Å²	91.2	68%	0.682	48%	0.481	S	S	*	.			trans	-109.9	0	155.4	33.3	0	0	0	0	105.5	C58 D62	C58-C72 WeakPolarHBondContact CA-SG 3.48Å; C58-C72 HydrophobicContact CB-CB 3.61Å; C58-C72 WeakPolarHBondContact CB-SG 3.41Å; C58-C72 WeakPolarHBondContact SG-CB 3.25Å; C58-C72 PolarHBondContact SG-N 3.06Å; C58-C72 CovalentContact SG-SG 2.04Å; C58-C72 PolarHBondContact SG-SG 3.25Å; D62-C72 HydrophobicContact CB-CB 3.88Å

Retrieved 72 of 72 residues in 95.6 ms (Link to these results)

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