A0A077Z0W3_TRITR Loading...

Cystatin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0W3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 aa.

						>A0A077Z0W3_TRITR|A0A077Z0W3
MSGVMCGGTSGEREPSDDEVELALKVKPDVENQLNRTFSTFKPTGVRTQVVAGINYFFKVMVGENDFIHLRVHRTLEQNVQLHGVQHGKKQEDELTYF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	61.1	Low	245 Å²	245	95.8 Å²	95.8	100%	1.207	64%	0.636	S	S	*	*				0	101	0	-63.8	-132.2	-88.7	0	0	107.5	G3	M1-G3 PolarHBondContact O-N 2.74Å
2	S	42	Very low	63.9	Low	125 Å²	125	94 Å²	94	87%	0.874	61%	0.612	S	S	*	*			trans	-75.8	105.4	177.1	179	0	0	0	0	107.6	V4	S2-V4 PolarHBondContact O-N 2.98Å
3	G	47.9	Very low	66.4	Low	57 Å²	57	94.9 Å²	94.9	59%	0.588	60%	0.595	S	S	*	*			trans	-58.7	129.6	175.7	0	0	0	0	0	109.8	M1 M5	M1-G3 PolarHBondContact O-N 2.74Å; G3-M5 VanDerWaalsContact C-N 3.31Å; G3-M5 PolarHBondContact O-N 2.91Å
4	V	52.5	Low	68.7	Low	118 Å²	118	99.9 Å²	99.9	72%	0.715	61%	0.608	S	S	*	*			trans	-63.3	97.6	168.3	177.3	0	0	0	0	106.4	S2 V50	S2-V4 PolarHBondContact O-N 2.98Å; V4-V50 HydrophobicContact CG1-CG2 4.05Å
5	M	51.6	Low	70.6	Confident	158 Å²	158	94.1 Å²	94.1	78%	0.778	57%	0.573	S	S	*	*			trans	-71.6	131.6	172.5	-64.2	-168.9	-169	0	0	108.2	G3 G7 G8	G3-M5 VanDerWaalsContact C-N 3.31Å; G3-M5 PolarHBondContact O-N 2.91Å; M5-G7 PolarHBondContact O-N 2.92Å; M5-G8 PolarHBondContact O-N 3.37Å
6	C	52.4	Low	72.4	Confident	119 Å²	119	91.5 Å²	91.5	80%	0.804	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	125.7	171.4	-71.4	0	0	0	0	109.8
7	G	59.7	Low	73.9	Confident	45 Å²	45	94.1 Å²	94.1	46%	0.464	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	94.3	-17.1	-175.7	0	0	0	0	0	115.8	M5 Q49	M5-G7 PolarHBondContact O-N 2.92Å; G7-Q49 PolarHBondContact O-NE2 3.22Å
8	G	72.5	Confident	75.2	Confident	35 Å²	35	95.1 Å²	95.1	36%	0.361	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-79.2	140.7	173.6	0	0	0	0	0	112.6	M5	M5-G8 PolarHBondContact O-N 3.37Å
9	T	77.3	Confident	76.4	Confident	56 Å²	56	90.9 Å²	90.9	34%	0.344	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-83	142.9	169.5	51.5	0	0	0	0	110.5	T48 Q49 F57	T9-T48 CarbonylContact C-O 3.59Å; T9-T48 VanDerWaalsContact CA-O 3.28Å; T9-T48 WeakPolarHBondContact CA-O 3.25Å; T9-Q49 HydrophobicContact CG2-CB 4.02Å; T9-Q49 HydrophobicContact CG2-CG 4.44Å; T9-F57 HydrophobicContact CG2-CD2 4.34Å; T9-F57 HydrophobicContact CG2-CE2 4.14Å
10	S	88.1	Confident	77.5	Confident	39 Å²	39	88.5 Å²	88.5	27%	0.273	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-60.5	165.7	167.8	74.3	0	0	0	0	111.5	R47 T48	S10-R47 WeakPolarHBondContact O-CD 3.46Å; S10-R47 WeakPolarHBondContact O-CG 3.35Å; S10-R47 WeakPolarHBondContact OG-CA 3.28Å; S10-T48 PolarHBondContact N-O 3.4Å; S10-T48 PolarHBondContact OG-N 3.13Å
11	G	91	Very high	78.4	Confident	57 Å²	57	90.5 Å²	90.5	59%	0.588	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-61.3	155.5	161.6	0	0	0	0	0	111.3
12	E	95.5	Very high	81.3	Confident	74 Å²	74	79.1 Å²	79.1	35%	0.346	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.8	133.7	171.9	-171.9	165.7	163.3	0	0	109.8	R47 K59 L95	E12-R47 HydrophobicContact CB-CG 4.1Å; E12-K59 WeakPolarHBondContact OE1-CE 3.42Å; E12-K59 IonicContact OE1-NZ 2.91Å; E12-K59 PolarHBondContact OE1-NZ 2.86Å; E12-K59 IonicContact OE2-NZ 3.79Å; E12-L95 HydrophobicContact CG-CD1 4.05Å
13	R	96.7	Very high	84	Confident	106 Å²	106	73.1 Å²	73.1	40%	0.4	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-145.3	169.5	176.3	59.1	167.2	178.7	78.5	2.2	110.5	E19 G45 V46	R13-E19 IonicContact CZ-OE1 2.78Å; R13-E19 IonicContact CZ-OE2 2.92Å; R13-E19 IonicContact NH1-OE1 2.84Å; R13-E19 IonicContact NH1-OE2 3.57Å; R13-E19 PolarHBondContact NH1-OE2 2.78Å; R13-E19 VanDerWaalsContact NH2-CD 3.32Å; R13-E19 IonicContact NH2-OE1 2.81Å; R13-E19 PolarHBondContact NH2-OE1 3.14Å; R13-E19 IonicContact NH2-OE2 3.25Å; R13-E19 PolarHBondContact NH2-OE2 3.24Å; R13-E19 VanDerWaalsContact NH2-OE2 3.14Å; R13-G45 CarbonylContact O-C 3.58Å; R13-G45 WeakPolarHBondContact O-CA 3.31Å; R13-V46 HydrophobicContact CG-CG1 4.08Å; R13-V46 PolarHBondContact N-O 2.8Å; R13-V46 VanDerWaalsContact N-O 3.09Å; R13-V46 PolarHBondContact O-N 3.35Å
14	E	97.8	Very high	86.4	Confident	165 Å²	165	74.2 Å²	74.2	77%	0.771	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-63.7	136.8	168.6	-160.6	170.2	138.8	0	0	110.1
15	P	98.2	Very high	88.5	Confident	13 Å²	13	75.5 Å²	75.5	8%	0.084	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-69.8	146.2	175.2	28.1	-33.5	0	0	0	111.6	E19 V20 P43 V46 F58	P15-E19 WeakPolarHBondContact CA-OE2 3.29Å; P15-E19 HydrophobicContact CB-CB 3.9Å; P15-V20 HydrophobicContact CB-CG2 4Å; P15-V20 HydrophobicContact CG-CG2 3.75Å; P15-P43 HydrophobicContact CG-CB 4.11Å; P15-V46 HydrophobicContact CB-CB 4.21Å; P15-V46 HydrophobicContact CB-CG1 3.93Å; P15-F58 HydrophobicContact CB-CE1 4.37Å
16	S	98.1	Very high	90.7	Very high	52 Å²	52	68.1 Å²	68.1	36%	0.364	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-73.3	168.2	168	67.5	0	0	0	0	111.5	D18 E19 V20	S16-D18 VanDerWaalsContact C-N 3.33Å; S16-D18 PolarHBondContact O-N 2.82Å; S16-E19 PolarHBondContact N-OE2 2.88Å; S16-E19 CarbonylContact O-C 3.48Å; S16-E19 WeakPolarHBondContact O-CA 3.5Å; S16-E19 WeakPolarHBondContact O-CB 3.47Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 WeakPolarHBondContact OG-CG 3.46Å; S16-E19 PolarHBondContact OG-OE2 2.86Å; S16-V20 WeakPolarHBondContact O-CG2 3.36Å; S16-V20 PolarHBondContact O-N 3.3Å
17	D	98.1	Very high	92.9	Very high	135 Å²	135	65 Å²	65	72%	0.722	36%	0.361	S	S	*	.	H	α-helix	trans	-54.2	-47	177.7	-64.1	-19	0	0	0	112.2	E19 V20 E21	D17-E19 PolarHBondContact O-N 3.05Å; D17-V20 WeakPolarHBondContact O-CB 3.35Å; D17-V20 PolarHBondContact O-N 2.9Å; D17-E21 WeakPolarHBondContact O-CG 3.08Å; D17-E21 PolarHBondContact O-N 2.82Å
18	D	96.9	Very high	94.7	Very high	113 Å²	113	66.7 Å²	66.7	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-58.7	-33.9	175.6	-69.2	-25.8	0	0	0	113.4	S16 L22	S16-D18 VanDerWaalsContact C-N 3.33Å; S16-D18 PolarHBondContact O-N 2.82Å; D18-L22 WeakPolarHBondContact O-CB 3.41Å; D18-L22 PolarHBondContact O-N 3.44Å
19	E	98.1	Very high	95.9	Very high	15 Å²	15	69 Å²	69	7%	0.07	37%	0.368	C	S	.	.	H	α-helix	trans	-79.9	-34.3	179.8	-69.1	174.5	147.2	0	0	111.5	R13 P15 S16 D17 L22 A23 Y56 F58	R13-E19 IonicContact CZ-OE1 2.78Å; R13-E19 IonicContact CZ-OE2 2.92Å; R13-E19 IonicContact NH1-OE1 2.84Å; R13-E19 IonicContact NH1-OE2 3.57Å; R13-E19 PolarHBondContact NH1-OE2 2.78Å; R13-E19 VanDerWaalsContact NH2-CD 3.32Å; R13-E19 IonicContact NH2-OE1 2.81Å; R13-E19 PolarHBondContact NH2-OE1 3.14Å; R13-E19 IonicContact NH2-OE2 3.25Å; R13-E19 PolarHBondContact NH2-OE2 3.24Å; R13-E19 VanDerWaalsContact NH2-OE2 3.14Å; P15-E19 WeakPolarHBondContact CA-OE2 3.29Å; P15-E19 HydrophobicContact CB-CB 3.9Å; S16-E19 PolarHBondContact N-OE2 2.88Å; S16-E19 CarbonylContact O-C 3.48Å; S16-E19 WeakPolarHBondContact O-CA 3.5Å; S16-E19 WeakPolarHBondContact O-CB 3.47Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 WeakPolarHBondContact OG-CG 3.46Å; S16-E19 PolarHBondContact OG-OE2 2.86Å; D17-E19 PolarHBondContact O-N 3.05Å; E19-L22 WeakPolarHBondContact O-CB 3.23Å; E19-L22 PolarHBondContact O-N 2.94Å; E19-A23 PolarHBondContact O-N 3.07Å; E19-Y56 HydrophobicContact CG-CD1 4.36Å; E19-Y56 HydrophobicContact CG-CE1 3.95Å; E19-Y56 WeakPolarHBondContact OE1-CE1 3.21Å; E19-F58 HydrophobicContact CB-CE1 3.96Å; E19-F58 HydrophobicContact CB-CZ 4.12Å; E19-F58 WeakPolarHBondContact O-CE1 3.42Å; E19-F58 WeakPolarHBondContact O-CZ 3.4Å
20	V	98.5	Very high	96.9	Very high	42 Å²	42	66.3 Å²	66.3	26%	0.255	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-50.6	169.2	173	0	0	0	0	109.4	P15 S16 D17 L22 A23 L24 P43	P15-V20 HydrophobicContact CB-CG2 4Å; P15-V20 HydrophobicContact CG-CG2 3.75Å; S16-V20 WeakPolarHBondContact O-CG2 3.36Å; S16-V20 PolarHBondContact O-N 3.3Å; D17-V20 WeakPolarHBondContact O-CB 3.35Å; D17-V20 PolarHBondContact O-N 2.9Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 2.89Å; V20-A23 PolarHBondContact O-N 2.94Å; V20-A23 VanDerWaalsContact O-N 3.15Å; V20-L24 HydrophobicContact CG1-CD1 4.07Å; V20-L24 HydrophobicContact CG1-CG 4.33Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 3.17Å; V20-P43 HydrophobicContact CG1-CG 4.26Å; V20-P43 HydrophobicContact CG2-CB 4.44Å
21	E	97.8	Very high	97.4	Very high	131 Å²	131	66.4 Å²	66.4	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-57.4	-41.2	176.4	-72.2	-171.5	169.7	0	0	112	D17 A23 L24 K25	D17-E21 WeakPolarHBondContact O-CG 3.08Å; D17-E21 PolarHBondContact O-N 2.82Å; E21-A23 PolarHBondContact O-N 3.27Å; E21-L24 PolarHBondContact O-N 3.47Å; E21-K25 WeakPolarHBondContact O-CB 3.45Å; E21-K25 PolarHBondContact O-N 2.78Å
22	L	97.4	Very high	97.7	Very high	6 Å²	6	70.1 Å²	70.1	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-46.7	175.6	-177.2	65.3	0	0	0	112.4	D18 E19 V20 K25 Y56 F58 V72 V80	D18-L22 WeakPolarHBondContact O-CB 3.41Å; D18-L22 PolarHBondContact O-N 3.44Å; E19-L22 WeakPolarHBondContact O-CB 3.23Å; E19-L22 PolarHBondContact O-N 2.94Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 2.89Å; L22-K25 WeakPolarHBondContact O-CB 3.3Å; L22-K25 PolarHBondContact O-N 3.34Å; L22-Y56 HydrophobicContact CD2-CD1 4.23Å; L22-Y56 HydrophobicContact CD2-CD2 3.6Å; L22-Y56 HydrophobicContact CD2-CE1 4.3Å; L22-Y56 HydrophobicContact CD2-CE2 3.67Å; L22-Y56 HydrophobicContact CD2-CG 3.9Å; L22-F58 HydrophobicContact CB-CZ 4.45Å; L22-F58 HydrophobicContact CD2-CE2 4.19Å; L22-F58 HydrophobicContact CD2-CZ 4.16Å; L22-F58 HydrophobicContact CG-CE2 4.44Å; L22-V72 HydrophobicContact CD1-CG1 4.47Å; L22-V72 HydrophobicContact CD2-CG1 4.37Å; L22-V72 HydrophobicContact CG-CG1 4.28Å; L22-V80 HydrophobicContact CD1-CB 4.02Å; L22-V80 HydrophobicContact CD1-CG1 3.42Å; L22-V80 VanDerWaalsContact CD1-CG1 3.42Å; L22-V80 HydrophobicContact CD1-CG2 3.35Å; L22-V80 HydrophobicContact CG-CG1 4.44Å
23	A	98.2	Very high	97.7	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-38.2	178.1	0	0	0	0	0	111.9	E19 V20 E21 K25 V26 F41 P43 F58	E19-A23 PolarHBondContact O-N 3.07Å; V20-A23 PolarHBondContact O-N 2.94Å; V20-A23 VanDerWaalsContact O-N 3.15Å; E21-A23 PolarHBondContact O-N 3.27Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-V26 WeakPolarHBondContact O-CG2 3.29Å; A23-V26 PolarHBondContact O-N 2.81Å; A23-F41 WeakPolarHBondContact O-CE1 3.01Å; A23-P43 HydrophobicContact CB-CB 4.16Å; A23-P43 HydrophobicContact CB-CG 3.51Å; A23-F58 HydrophobicContact CB-CD1 4Å; A23-F58 HydrophobicContact CB-CD2 3.94Å; A23-F58 HydrophobicContact CB-CE1 4.04Å; A23-F58 HydrophobicContact CB-CE2 3.98Å; A23-F58 HydrophobicContact CB-CG 3.94Å; A23-F58 HydrophobicContact CB-CZ 4.04Å
24	L	97.9	Very high	97.7	Very high	79 Å²	79	69 Å²	69	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-36.2	174.8	-66.2	-179.6	0	0	0	112	V20 E21 V26 K27 F41	V20-L24 HydrophobicContact CG1-CD1 4.07Å; V20-L24 HydrophobicContact CG1-CG 4.33Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 3.17Å; E21-L24 PolarHBondContact O-N 3.47Å; L24-V26 VanDerWaalsContact C-N 3.26Å; L24-V26 PolarHBondContact O-N 2.8Å; L24-K27 WeakPolarHBondContact O-CB 3.32Å; L24-K27 PolarHBondContact O-N 3.06Å; L24-K27 VanDerWaalsContact O-N 3.09Å; L24-F41 HydrophobicContact CD2-CD1 3.89Å; L24-F41 WeakPolarHBondContact CD2-O 3.49Å
25	K	97.4	Very high	97.6	Very high	146 Å²	146	68.4 Å²	68.4	64%	0.635	36%	0.357	S	S	*	.	H	α-helix	trans	-60	-34.7	178.9	-174.3	177.4	-179.6	177.9	0	112.9	E21 L22 A23 P28	E21-K25 WeakPolarHBondContact O-CB 3.45Å; E21-K25 PolarHBondContact O-N 2.78Å; L22-K25 WeakPolarHBondContact O-CB 3.3Å; L22-K25 PolarHBondContact O-N 3.34Å; A23-K25 VanDerWaalsContact C-N 3.33Å; K25-P28 WeakPolarHBondContact O-CD 3.34Å
26	V	97.7	Very high	97.5	Very high	2 Å²	2	73.3 Å²	73.3	1%	0.012	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.1	178.9	-60.3	0	0	0	0	113.5	A23 L24 P28 D29 V30 L70 V72 V80 L82	A23-V26 WeakPolarHBondContact O-CG2 3.29Å; A23-V26 PolarHBondContact O-N 2.81Å; L24-V26 VanDerWaalsContact C-N 3.26Å; L24-V26 PolarHBondContact O-N 2.8Å; V26-P28 VanDerWaalsContact C-CD 3.46Å; V26-P28 VanDerWaalsContact C-N 3.34Å; V26-D29 WeakPolarHBondContact O-CB 3.42Å; V26-D29 PolarHBondContact O-N 2.83Å; V26-V30 HydrophobicContact CG2-CG2 4.47Å; V26-V30 WeakPolarHBondContact O-CG2 3.1Å; V26-V30 PolarHBondContact O-N 2.89Å; V26-L70 HydrophobicContact CG2-CD1 4.3Å; V26-V72 HydrophobicContact CG1-CG1 4.06Å; V26-V72 HydrophobicContact CG1-CG2 4.33Å; V26-V72 HydrophobicContact CG2-CG2 3.76Å; V26-V80 HydrophobicContact CG1-CG1 3.69Å; V26-L82 HydrophobicContact CB-CB 4.46Å
27	K	98.2	Very high	97.4	Very high	54 Å²	54	76.4 Å²	76.4	24%	0.235	39%	0.39	C	S	.	.	H	α-helix	trans	-51.4	-45.7	179.6	178.1	-177.6	177.1	-176.7	0	112.9	L24 D29 V30 E31 F38 F41	L24-K27 WeakPolarHBondContact O-CB 3.32Å; L24-K27 PolarHBondContact O-N 3.06Å; L24-K27 VanDerWaalsContact O-N 3.09Å; K27-D29 VanDerWaalsContact C-N 3.29Å; K27-D29 PolarHBondContact O-N 2.84Å; K27-V30 WeakPolarHBondContact O-CB 3.4Å; K27-V30 PolarHBondContact O-N 3.06Å; K27-V30 VanDerWaalsContact O-N 3.16Å; K27-E31 WeakPolarHBondContact CE-OE1 3.2Å; K27-E31 HydrophobicContact CG-CG 4.22Å; K27-E31 IonicContact NZ-OE1 3.4Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 2.97Å; K27-F38 WeakPolarHBondContact CE-O 3.45Å; K27-F38 PolarHBondContact NZ-O 2.95Å; K27-F41 HydrophobicContact CB-CD1 4.25Å; K27-F41 HydrophobicContact CB-CD2 4.47Å; K27-F41 HydrophobicContact CB-CE1 4.02Å; K27-F41 HydrophobicContact CB-CE2 4.26Å; K27-F41 HydrophobicContact CB-CG 4.44Å; K27-F41 HydrophobicContact CB-CZ 4Å; K27-F41 HydrophobicContact CD-CB 3.87Å; K27-F41 HydrophobicContact CD-CD1 4.26Å; K27-F41 HydrophobicContact CD-CD2 4.06Å; K27-F41 HydrophobicContact CD-CG 3.82Å; K27-F41 HydrophobicContact CG-CD1 4.29Å; K27-F41 HydrophobicContact CG-CD2 3.82Å; K27-F41 HydrophobicContact CG-CE1 4.39Å; K27-F41 HydrophobicContact CG-CE2 3.93Å; K27-F41 HydrophobicContact CG-CG 3.98Å; K27-F41 HydrophobicContact CG-CZ 4.19Å
28	P	97.8	Very high	97.3	Very high	80 Å²	80	70.4 Å²	70.4	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-38.1	178.9	-23.7	35.4	0	0	0	113	K25 V26 V30 E31 N32	K25-P28 WeakPolarHBondContact O-CD 3.34Å; V26-P28 VanDerWaalsContact C-CD 3.46Å; V26-P28 VanDerWaalsContact C-N 3.34Å; P28-V30 VanDerWaalsContact C-N 3.34Å; P28-E31 PolarHBondContact O-N 3Å; P28-N32 VanDerWaalsContact O-CB 3.31Å; P28-N32 WeakPolarHBondContact O-CB 3.14Å; P28-N32 PolarHBondContact O-N 2.73Å
29	D	97.8	Very high	97.3	Very high	83 Å²	83	71 Å²	71	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-40	177.2	-59.7	-40.6	0	0	0	111	V26 K27 N32 Q33 L82	V26-D29 WeakPolarHBondContact O-CB 3.42Å; V26-D29 PolarHBondContact O-N 2.83Å; K27-D29 VanDerWaalsContact C-N 3.29Å; K27-D29 PolarHBondContact O-N 2.84Å; D29-N32 PolarHBondContact O-N 2.85Å; D29-Q33 VanDerWaalsContact O-CB 3.29Å; D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.21Å; D29-L82 HydrophobicContact CB-CB 4.16Å; D29-L82 HydrophobicContact CB-CD2 3.85Å
30	V	98.3	Very high	97.2	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-47.2	175.7	177.9	0	0	0	0	110.9	V26 K27 P28 N32 Q33 L34 F38 F41 I68 L70 L82 V85	V26-V30 HydrophobicContact CG2-CG2 4.47Å; V26-V30 WeakPolarHBondContact O-CG2 3.1Å; V26-V30 PolarHBondContact O-N 2.89Å; K27-V30 WeakPolarHBondContact O-CB 3.4Å; K27-V30 PolarHBondContact O-N 3.06Å; K27-V30 VanDerWaalsContact O-N 3.16Å; P28-V30 VanDerWaalsContact C-N 3.34Å; V30-N32 VanDerWaalsContact C-N 3.33Å; V30-N32 PolarHBondContact O-N 2.83Å; V30-Q33 PolarHBondContact O-N 2.83Å; V30-L34 HydrophobicContact CG1-CD1 4.01Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.24Å; V30-L34 WeakPolarHBondContact O-CG 3.11Å; V30-L34 PolarHBondContact O-N 2.92Å; V30-F38 HydrophobicContact CG1-CE2 4.08Å; V30-F41 HydrophobicContact CB-CE2 4.39Å; V30-F41 HydrophobicContact CG1-CE2 4.17Å; V30-F41 HydrophobicContact CG2-CZ 4.31Å; V30-I68 HydrophobicContact CG1-CD1 3.71Å; V30-L70 HydrophobicContact CG1-CD2 4.06Å; V30-L70 HydrophobicContact CG2-CD1 4.18Å; V30-L70 HydrophobicContact CG2-CD2 3.64Å; V30-L82 HydrophobicContact CB-CD2 4.24Å; V30-L82 HydrophobicContact CG2-CD1 3.84Å; V30-L82 HydrophobicContact CG2-CD2 3.52Å; V30-L82 HydrophobicContact CG2-CG 4.32Å; V30-V85 HydrophobicContact CG1-CG1 4.24Å; V30-V85 HydrophobicContact CG1-CG2 4.27Å; V30-V85 HydrophobicContact CG2-CG2 4.21Å
31	E	98	Very high	97.2	Very high	42 Å²	42	71.9 Å²	71.9	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-41	179.7	-71.4	-175.4	147.7	0	0	111.7	K27 P28 N35 R36 T37 F38	K27-E31 WeakPolarHBondContact CE-OE1 3.2Å; K27-E31 HydrophobicContact CG-CG 4.22Å; K27-E31 IonicContact NZ-OE1 3.4Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 2.97Å; P28-E31 PolarHBondContact O-N 3Å; E31-N35 WeakPolarHBondContact O-CA 3.43Å; E31-N35 PolarHBondContact O-N 2.79Å; E31-R36 WeakPolarHBondContact CA-O 3.4Å; E31-R36 WeakPolarHBondContact CB-O 3.39Å; E31-R36 VanDerWaalsContact CG-O 3.32Å; E31-R36 WeakPolarHBondContact CG-O 3.32Å; E31-R36 PolarHBondContact O-N 3.16Å; E31-R36 VanDerWaalsContact O-N 3.07Å; E31-T37 WeakPolarHBondContact OE1-CA 3.43Å; E31-F38 HydrophobicContact CG-CD2 3.72Å; E31-F38 HydrophobicContact CG-CE2 4.21Å; E31-F38 PolarHBondContact OE1-N 3.5Å
32	N	97	Very high	97.2	Very high	135 Å²	135	71.8 Å²	71.8	72%	0.722	37%	0.373	S	S	*	.	H	α-helix	trans	-65.5	-46	175.3	-175.7	59.7	0	0	0	111.8	P28 D29 V30 L34 N35	P28-N32 VanDerWaalsContact O-CB 3.31Å; P28-N32 WeakPolarHBondContact O-CB 3.14Å; P28-N32 PolarHBondContact O-N 2.73Å; D29-N32 PolarHBondContact O-N 2.85Å; V30-N32 VanDerWaalsContact C-N 3.33Å; V30-N32 PolarHBondContact O-N 2.83Å; N32-L34 VanDerWaalsContact C-N 3.34Å; N32-L34 PolarHBondContact O-N 3.26Å; N32-N35 PolarHBondContact O-N 3.06Å
33	Q	96.3	Very high	97.2	Very high	112 Å²	112	72 Å²	72	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-37.3	179.6	-177	173.6	0.4	0	0	112.5	D29 V30	D29-Q33 VanDerWaalsContact O-CB 3.29Å; D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.21Å; V30-Q33 PolarHBondContact O-N 2.83Å
34	L	95.7	Very high	97.2	Very high	44 Å²	44	74.2 Å²	74.2	23%	0.23	39%	0.389	C	S	.	.	H	α-helix	trans	-88.3	-5.4	178.8	-64.8	-175.7	0	0	0	113.6	V30 N32 R36 F38 V85	V30-L34 HydrophobicContact CG1-CD1 4.01Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.24Å; V30-L34 WeakPolarHBondContact O-CG 3.11Å; V30-L34 PolarHBondContact O-N 2.92Å; N32-L34 VanDerWaalsContact C-N 3.34Å; N32-L34 PolarHBondContact O-N 3.26Å; L34-R36 HydrophobicContact CB-CB 4.3Å; L34-R36 PolarHBondContact O-N 2.79Å; L34-F38 HydrophobicContact CD1-CE2 4.07Å; L34-F38 HydrophobicContact CD1-CZ 3.69Å; L34-V85 HydrophobicContact CD1-CG1 3.81Å; L34-V85 HydrophobicContact CD2-CG1 4.01Å; L34-V85 HydrophobicContact CG-CG1 4.09Å
35	N	96.5	Very high	97.2	Very high	153 Å²	153	70.5 Å²	70.5	82%	0.818	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	43.2	-171.2	-167.9	43.1	0	0	0	112.3	E31 N32	E31-N35 WeakPolarHBondContact O-CA 3.43Å; E31-N35 PolarHBondContact O-N 2.79Å; N32-N35 PolarHBondContact O-N 3.06Å
36	R	95.5	Very high	97.3	Very high	116 Å²	116	63.5 Å²	63.5	44%	0.438	34%	0.339	S	S	.	.			trans	-146.8	137.8	-174.8	176.4	176.9	177.5	-165.2	-3.9	109.2	E31 L34 F38 D66	E31-R36 WeakPolarHBondContact CA-O 3.4Å; E31-R36 WeakPolarHBondContact CB-O 3.39Å; E31-R36 VanDerWaalsContact CG-O 3.32Å; E31-R36 WeakPolarHBondContact CG-O 3.32Å; E31-R36 PolarHBondContact O-N 3.16Å; E31-R36 VanDerWaalsContact O-N 3.07Å; L34-R36 HydrophobicContact CB-CB 4.3Å; L34-R36 PolarHBondContact O-N 2.79Å; R36-F38 HydrophobicContact CG-CD1 4.5Å; R36-F38 HydrophobicContact CG-CE1 4.06Å; R36-F38 HydrophobicContact CG-CZ 4.17Å; R36-D66 IonicContact CZ-OD2 3.37Å; R36-D66 IonicContact NH1-OD2 3.68Å; R36-D66 PolarHBondContact NH1-OD2 3.14Å; R36-D66 IonicContact NH2-OD2 3.74Å; R36-D66 PolarHBondContact NH2-OD2 2.69Å
37	T	96.7	Very high	97.2	Very high	116 Å²	116	65 Å²	65	71%	0.712	35%	0.345	S	S	*	.			trans	-96.7	151.9	171	55.2	0	0	0	0	111.5	E31	E31-T37 WeakPolarHBondContact OE1-CA 3.43Å
38	F	96.2	Very high	97.2	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.039	34%	0.343	C	S	.	.			trans	-123.3	119.4	-178.4	-59.2	-72.8	0	0	0	111.5	K27 V30 E31 L34 R36 T40 F41 V62 I68	K27-F38 WeakPolarHBondContact CE-O 3.45Å; K27-F38 PolarHBondContact NZ-O 2.95Å; V30-F38 HydrophobicContact CG1-CE2 4.08Å; E31-F38 HydrophobicContact CG-CD2 3.72Å; E31-F38 HydrophobicContact CG-CE2 4.21Å; E31-F38 PolarHBondContact OE1-N 3.5Å; L34-F38 HydrophobicContact CD1-CE2 4.07Å; L34-F38 HydrophobicContact CD1-CZ 3.69Å; R36-F38 HydrophobicContact CG-CD1 4.5Å; R36-F38 HydrophobicContact CG-CE1 4.06Å; R36-F38 HydrophobicContact CG-CZ 4.17Å; F38-T40 WeakPolarHBondContact CB-O 3.37Å; F38-F41 HydrophobicContact CB-CD2 4.22Å; F38-F41 AromaticContact CD2-CD2 3.97Å; F38-F41 HydrophobicContact CD2-CD2 3.97Å; F38-F41 HydrophobicContact CD2-CE2 4.22Å; F38-F41 HydrophobicContact CG-CD2 4.29Å; F38-V62 HydrophobicContact CD1-CB 3.55Å; F38-V62 HydrophobicContact CD1-CG1 3.79Å; F38-V62 HydrophobicContact CD1-CG2 4.11Å; F38-V62 HydrophobicContact CE1-CB 3.84Å; F38-V62 HydrophobicContact CE1-CG1 4Å; F38-V62 HydrophobicContact CE1-CG2 3.91Å; F38-V62 HydrophobicContact CG-CB 4.22Å; F38-V62 HydrophobicContact CG-CG1 4.04Å; F38-V62 HydrophobicContact CZ-CG1 4.49Å; F38-I68 HydrophobicContact CE2-CD1 4.4Å; F38-I68 HydrophobicContact CZ-CD1 4.43Å
39	S	95.5	Very high	97	Very high	125 Å²	125	61.3 Å²	61.3	87%	0.874	32%	0.323	S	S	*	.	S	Bend	trans	-70.7	-34.7	171.4	51.4	0	0	0	0	112
40	T	96.8	Very high	96.8	Very high	58 Å²	58	60.3 Å²	60.3	36%	0.356	32%	0.32	S	S	.	.			trans	-109.4	132.2	172.2	-56.6	0	0	0	0	109.2	F38 V62	F38-T40 WeakPolarHBondContact CB-O 3.37Å; T40-V62 VanDerWaalsContact O-CA 3.32Å; T40-V62 WeakPolarHBondContact O-CA 3.45Å
41	F	98	Very high	96.5	Very high	18 Å²	18	63.2 Å²	63.2	8%	0.079	34%	0.338	C	S	.	.			trans	-148.4	83.4	173.5	-163.3	-82.5	0	0	0	107.9	A23 L24 K27 V30 F38 V60 V62 I68 L70	A23-F41 WeakPolarHBondContact O-CE1 3.01Å; L24-F41 HydrophobicContact CD2-CD1 3.89Å; L24-F41 WeakPolarHBondContact CD2-O 3.49Å; K27-F41 HydrophobicContact CB-CD1 4.25Å; K27-F41 HydrophobicContact CB-CD2 4.47Å; K27-F41 HydrophobicContact CB-CE1 4.02Å; K27-F41 HydrophobicContact CB-CE2 4.26Å; K27-F41 HydrophobicContact CB-CG 4.44Å; K27-F41 HydrophobicContact CB-CZ 4Å; K27-F41 HydrophobicContact CD-CB 3.87Å; K27-F41 HydrophobicContact CD-CD1 4.26Å; K27-F41 HydrophobicContact CD-CD2 4.06Å; K27-F41 HydrophobicContact CD-CG 3.82Å; K27-F41 HydrophobicContact CG-CD1 4.29Å; K27-F41 HydrophobicContact CG-CD2 3.82Å; K27-F41 HydrophobicContact CG-CE1 4.39Å; K27-F41 HydrophobicContact CG-CE2 3.93Å; K27-F41 HydrophobicContact CG-CG 3.98Å; K27-F41 HydrophobicContact CG-CZ 4.19Å; V30-F41 HydrophobicContact CB-CE2 4.39Å; V30-F41 HydrophobicContact CG1-CE2 4.17Å; V30-F41 HydrophobicContact CG2-CZ 4.31Å; F38-F41 HydrophobicContact CB-CD2 4.22Å; F38-F41 AromaticContact CD2-CD2 3.97Å; F38-F41 HydrophobicContact CD2-CD2 3.97Å; F38-F41 HydrophobicContact CD2-CE2 4.22Å; F38-F41 HydrophobicContact CG-CD2 4.29Å; F41-V60 HydrophobicContact CD1-CG1 3.64Å; F41-V60 HydrophobicContact CD2-CG1 4.05Å; F41-V60 HydrophobicContact CE1-CG1 3.76Å; F41-V60 HydrophobicContact CE1-CG2 4.39Å; F41-V60 HydrophobicContact CE2-CG1 4.16Å; F41-V60 HydrophobicContact CG-CG1 3.83Å; F41-V60 HydrophobicContact CZ-CG1 4.04Å; F41-V62 HydrophobicContact CD2-CG1 4.02Å; F41-I68 HydrophobicContact CE2-CD1 3.78Å; F41-I68 HydrophobicContact CZ-CD1 4.36Å; F41-L70 HydrophobicContact CE1-CD1 4.26Å; F41-L70 HydrophobicContact CZ-CD1 3.79Å
42	K	98.2	Very high	96.3	Very high	129 Å²	129	64.9 Å²	64.9	56%	0.561	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.1	-172.6	-177.4	-177.2	177.6	-176.3	0	110	T44 V60 M61	K42-T44 HydrophobicContact CD-CG2 4.37Å; K42-T44 HydrophobicContact CG-CG2 4.25Å; K42-T44 PolarHBondContact O-N 3.41Å; K42-V60 CarbonylContact O-C 3.52Å; K42-V60 WeakPolarHBondContact O-CA 3.42Å; K42-M61 HydrophobicContact CB-CB 4.38Å; K42-M61 PolarHBondContact N-O 3.09Å; K42-M61 PolarHBondContact O-N 3.45Å
43	P	98.3	Very high	96.2	Very high	11 Å²	11	58.7 Å²	58.7	7%	0.071	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.6	167.2	-20	33.4	0	0	0	109.7	P15 V20 A23 F58	P15-P43 HydrophobicContact CG-CB 4.11Å; V20-P43 HydrophobicContact CG1-CG 4.26Å; V20-P43 HydrophobicContact CG2-CB 4.44Å; A23-P43 HydrophobicContact CB-CB 4.16Å; A23-P43 HydrophobicContact CB-CG 3.51Å; P43-F58 HydrophobicContact CB-CD1 4.49Å
44	T	97.8	Very high	96.2	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	-24.3	-176.1	52.4	0	0	0	0	112.7	K42 K59 M61 F67	K42-T44 HydrophobicContact CD-CG2 4.37Å; K42-T44 HydrophobicContact CG-CG2 4.25Å; K42-T44 PolarHBondContact O-N 3.41Å; T44-K59 PolarHBondContact N-O 2.76Å; T44-K59 PolarHBondContact OG1-O 2.9Å; T44-K59 VanDerWaalsContact OG1-O 3.06Å; T44-M61 HydrophobicContact CG2-CB 4.13Å; T44-F67 HydrophobicContact CG2-CE1 4.43Å
45	G	97.9	Very high	96.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.4	177	0	0	0	0	0	110.9	R13 F58 K59	R13-G45 CarbonylContact O-C 3.58Å; R13-G45 WeakPolarHBondContact O-CA 3.31Å; G45-F58 WeakPolarHBondContact O-CA 3.39Å; G45-K59 PolarHBondContact N-O 2.83Å; G45-K59 PolarHBondContact O-N 3.24Å
46	V	98.4	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.7	174.6	68.6	0	0	0	0	111.3	R13 P15 T48 Y56 F57 F58	R13-V46 HydrophobicContact CG-CG1 4.08Å; R13-V46 PolarHBondContact N-O 2.8Å; R13-V46 VanDerWaalsContact N-O 3.09Å; R13-V46 PolarHBondContact O-N 3.35Å; P15-V46 HydrophobicContact CB-CB 4.21Å; P15-V46 HydrophobicContact CB-CG1 3.93Å; V46-T48 HydrophobicContact CG2-CG2 4.38Å; V46-Y56 HydrophobicContact CG2-CD1 4.15Å; V46-F57 CarbonylContact C-O 3.59Å; V46-F57 VanDerWaalsContact CA-O 3.26Å; V46-F57 WeakPolarHBondContact CA-O 3.26Å; V46-F58 HydrophobicContact CB-CD1 3.88Å; V46-F58 HydrophobicContact CB-CE1 3.95Å; V46-F58 HydrophobicContact CG2-CD1 3.69Å; V46-F58 HydrophobicContact CG2-CE1 3.53Å; V46-F58 HydrophobicContact CG2-CG 4.39Å; V46-F58 HydrophobicContact CG2-CZ 4.12Å
47	R	97.3	Very high	96.4	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.2	159.3	-64.6	-174.3	-177.5	-168.8	-6.7	109.3	S10 E12 F57 E94 L95	S10-R47 WeakPolarHBondContact O-CD 3.46Å; S10-R47 WeakPolarHBondContact O-CG 3.35Å; S10-R47 WeakPolarHBondContact OG-CA 3.28Å; E12-R47 HydrophobicContact CB-CG 4.1Å; R47-F57 HydrophobicContact CB-CB 4.29Å; R47-F57 PolarHBondContact N-O 3.37Å; R47-F57 PolarHBondContact O-N 2.89Å; R47-E94 IonicContact CZ-OE1 2.69Å; R47-E94 VanDerWaalsContact CZ-OE1 3.25Å; R47-E94 IonicContact NH1-OE1 2.71Å; R47-E94 PolarHBondContact NH1-OE1 3.24Å; R47-E94 VanDerWaalsContact NH2-CG 3.29Å; R47-E94 IonicContact NH2-OE1 3.14Å; R47-E94 PolarHBondContact NH2-OE1 2.99Å; R47-L95 WeakPolarHBondContact CD-O 3.39Å; R47-L95 HydrophobicContact CG-CB 4.08Å; R47-L95 HydrophobicContact CG-CD1 4.47Å; R47-L95 PolarHBondContact NE-O 3.39Å; R47-L95 PolarHBondContact NH1-O 3.3Å
48	T	96.6	Very high	96.5	Very high	34 Å²	34	36.9 Å²	36.9	21%	0.209	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.6	176.6	62.6	0	0	0	0	111.3	T9 S10 V46 N55 Y56	T9-T48 CarbonylContact C-O 3.59Å; T9-T48 VanDerWaalsContact CA-O 3.28Å; T9-T48 WeakPolarHBondContact CA-O 3.25Å; S10-T48 PolarHBondContact N-O 3.4Å; S10-T48 PolarHBondContact OG-N 3.13Å; V46-T48 HydrophobicContact CG2-CG2 4.38Å; T48-N55 CarbonylContact C-O 3.53Å; T48-N55 WeakPolarHBondContact CA-O 3.33Å; T48-Y56 HydrophobicContact CG2-CD1 3.65Å; T48-Y56 HydrophobicContact CG2-CE1 3.78Å
49	Q	94.9	Very high	96.6	Very high	21 Å²	21	36.9 Å²	36.9	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.1	175.9	179.3	-168.1	45	0	0	108.9	G7 T9 V51 N55 F57	G7-Q49 PolarHBondContact O-NE2 3.22Å; T9-Q49 HydrophobicContact CG2-CB 4.02Å; T9-Q49 HydrophobicContact CG2-CG 4.44Å; Q49-V51 HydrophobicContact CG-CG1 4.21Å; Q49-N55 HydrophobicContact CB-CB 4.25Å; Q49-N55 PolarHBondContact N-O 2.96Å; Q49-N55 PolarHBondContact O-N 2.84Å; Q49-N55 PolarHBondContact OE1-ND2 2.83Å; Q49-F57 HydrophobicContact CB-CE2 4.11Å
50	V	93.6	Very high	96.8	Very high	63 Å²	63	31 Å²	31	38%	0.382	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.2	176.8	-178.8	0	0	0	0	109.5	V4	V4-V50 HydrophobicContact CG1-CG2 4.05Å
51	V	91.3	Very high	96.9	Very high	60 Å²	60	30.5 Å²	30.5	36%	0.364	17%	0.17	S	C	.	.	S	Bend	trans	-138.5	-151	177.2	-61.8	0	0	0	0	108.9	Q49 G53	Q49-V51 HydrophobicContact CG-CG1 4.21Å; V51-G53 CarbonylContact C-O 3.55Å; V51-G53 PolarHBondContact N-O 3.09Å; V51-G53 PolarHBondContact O-N 3.06Å; V51-G53 VanDerWaalsContact O-O 3.13Å
52	A	93.3	Very high	96.9	Very high	77 Å²	77	30 Å²	30	64%	0.636	17%	0.168	S	C	*	.	S	Bend	trans	-70.2	72.7	158.9	0	0	0	0	0	109.8	H73	A52-H73 PolarHBondContact O-NE2 2.82Å
53	G	95	Very high	96.8	Very high	6 Å²	6	24.8 Å²	24.8	6%	0.062	15%	0.152	C	C	.	.	S	Bend	trans	114.4	-152.2	-163.7	0	0	0	0	0	111.3	V51 R74	V51-G53 CarbonylContact C-O 3.55Å; V51-G53 PolarHBondContact N-O 3.09Å; V51-G53 PolarHBondContact O-N 3.06Å; V51-G53 VanDerWaalsContact O-O 3.13Å; G53-R74 CarbonylContact C-O 3.52Å; G53-R74 VanDerWaalsContact CA-O 3.26Å; G53-R74 WeakPolarHBondContact CA-O 3.45Å
54	I	95.9	Very high	96.3	Very high	59 Å²	59	33 Å²	33	30%	0.303	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.3	-179.9	-56.5	175.4	0	0	0	109.2	Y56 H73 R74	I54-Y56 HydrophobicContact CB-CD2 4.39Å; I54-Y56 HydrophobicContact CB-CE2 3.75Å; I54-Y56 HydrophobicContact CG2-CD2 3.92Å; I54-Y56 HydrophobicContact CG2-CE1 4.2Å; I54-Y56 HydrophobicContact CG2-CE2 3.5Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.5Å; I54-Y56 HydrophobicContact CG2-CG 4.42Å; I54-H73 PolarHBondContact O-CD2 2.92Å; I54-R74 PolarHBondContact N-O 2.86Å; I54-R74 PolarHBondContact O-N 2.79Å
55	N	97.3	Very high	96	Very high	5 Å²	5	37 Å²	37	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.4	161.5	-68.7	-38.9	0	0	0	108.8	T48 Q49 F57 R71 V72 H73	T48-N55 CarbonylContact C-O 3.53Å; T48-N55 WeakPolarHBondContact CA-O 3.33Å; Q49-N55 HydrophobicContact CB-CB 4.25Å; Q49-N55 PolarHBondContact N-O 2.96Å; Q49-N55 PolarHBondContact O-N 2.84Å; Q49-N55 PolarHBondContact OE1-ND2 2.83Å; N55-F57 HydrophobicContact CB-CE2 3.8Å; N55-F57 HydrophobicContact CB-CZ 4.16Å; N55-R71 PolarHBondContact ND2-NH2 2.88Å; N55-V72 CarbonylContact C-O 3.5Å; N55-V72 WeakPolarHBondContact CA-O 3.45Å; N55-H73 PolarHBondContact OD1-CD2 2.86Å; N55-H73 VanDerWaalsContact OD1-CD2 3.24Å
56	Y	98.1	Very high	95.9	Very high	17 Å²	17	38.8 Å²	38.8	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.8	169	-62.2	-97.4	0	0	0	108.3	E19 L22 V46 T48 I54 F58 R71 V72 R74	E19-Y56 HydrophobicContact CG-CD1 4.36Å; E19-Y56 HydrophobicContact CG-CE1 3.95Å; E19-Y56 WeakPolarHBondContact OE1-CE1 3.21Å; L22-Y56 HydrophobicContact CD2-CD1 4.23Å; L22-Y56 HydrophobicContact CD2-CD2 3.6Å; L22-Y56 HydrophobicContact CD2-CE1 4.3Å; L22-Y56 HydrophobicContact CD2-CE2 3.67Å; L22-Y56 HydrophobicContact CD2-CG 3.9Å; V46-Y56 HydrophobicContact CG2-CD1 4.15Å; T48-Y56 HydrophobicContact CG2-CD1 3.65Å; T48-Y56 HydrophobicContact CG2-CE1 3.78Å; I54-Y56 HydrophobicContact CB-CD2 4.39Å; I54-Y56 HydrophobicContact CB-CE2 3.75Å; I54-Y56 HydrophobicContact CG2-CD2 3.92Å; I54-Y56 HydrophobicContact CG2-CE1 4.2Å; I54-Y56 HydrophobicContact CG2-CE2 3.5Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.5Å; I54-Y56 HydrophobicContact CG2-CG 4.42Å; Y56-F58 HydrophobicContact CD1-CE2 4.43Å; Y56-F58 HydrophobicContact CD1-CZ 4.03Å; Y56-F58 HydrophobicContact CG-CE2 4.06Å; Y56-F58 HydrophobicContact CG-CZ 4.12Å; Y56-R71 CarbonylContact O-C 3.54Å; Y56-R71 WeakPolarHBondContact O-CA 3.32Å; Y56-V72 PolarHBondContact N-O 3.44Å; Y56-V72 PolarHBondContact O-N 2.87Å; Y56-R74 HydrophobicContact CD2-CB 4.45Å; Y56-R74 HydrophobicContact CE2-CB 3.85Å
57	F	98.3	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106	171.4	-62.3	-88.1	0	0	0	107.5	T9 V46 R47 Q49 N55 L70 R71 L95 Y97 F98	T9-F57 HydrophobicContact CG2-CD2 4.34Å; T9-F57 HydrophobicContact CG2-CE2 4.14Å; V46-F57 CarbonylContact C-O 3.59Å; V46-F57 VanDerWaalsContact CA-O 3.26Å; V46-F57 WeakPolarHBondContact CA-O 3.26Å; R47-F57 HydrophobicContact CB-CB 4.29Å; R47-F57 PolarHBondContact N-O 3.37Å; R47-F57 PolarHBondContact O-N 2.89Å; Q49-F57 HydrophobicContact CB-CE2 4.11Å; N55-F57 HydrophobicContact CB-CE2 3.8Å; N55-F57 HydrophobicContact CB-CZ 4.16Å; F57-L70 CarbonylContact C-O 3.54Å; F57-L70 WeakPolarHBondContact CA-O 3.45Å; F57-R71 HydrophobicContact CD1-CB 4.18Å; F57-R71 HydrophobicContact CD1-CG 4.22Å; F57-R71 HydrophobicContact CE1-CB 4.02Å; F57-R71 HydrophobicContact CE1-CG 3.69Å; F57-R71 HydrophobicContact CZ-CG 4.11Å; F57-L95 HydrophobicContact CB-CD2 4.15Å; F57-Y97 HydrophobicContact CE1-CD2 4.12Å; F57-Y97 HydrophobicContact CE1-CG 4.45Å; F57-Y97 HydrophobicContact CE2-CD2 4.17Å; F57-Y97 AromaticContact CZ-CD2 3.39Å; F57-Y97 HydrophobicContact CZ-CD2 3.39Å; F57-Y97 AromaticContact CZ-CE2 3.96Å; F57-Y97 HydrophobicContact CZ-CE2 3.96Å; F57-Y97 HydrophobicContact CZ-CG 4.1Å; F57-F98 HydrophobicContact CD1-CD1 4.2Å; F57-F98 AromaticContact CD1-CE1 3.9Å; F57-F98 HydrophobicContact CD1-CE1 3.9Å; F57-F98 HydrophobicContact CE1-CD1 4.4Å; F57-F98 HydrophobicContact CE1-CE1 4.45Å
58	F	98.6	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.2	-178.6	-69.3	-75.5	0	0	0	111.4	P15 E19 L22 A23 P43 G45 V46 Y56 V60 H69 L70 V72	P15-F58 HydrophobicContact CB-CE1 4.37Å; E19-F58 HydrophobicContact CB-CE1 3.96Å; E19-F58 HydrophobicContact CB-CZ 4.12Å; E19-F58 WeakPolarHBondContact O-CE1 3.42Å; E19-F58 WeakPolarHBondContact O-CZ 3.4Å; L22-F58 HydrophobicContact CB-CZ 4.45Å; L22-F58 HydrophobicContact CD2-CE2 4.19Å; L22-F58 HydrophobicContact CD2-CZ 4.16Å; L22-F58 HydrophobicContact CG-CE2 4.44Å; A23-F58 HydrophobicContact CB-CD1 4Å; A23-F58 HydrophobicContact CB-CD2 3.94Å; A23-F58 HydrophobicContact CB-CE1 4.04Å; A23-F58 HydrophobicContact CB-CE2 3.98Å; A23-F58 HydrophobicContact CB-CG 3.94Å; A23-F58 HydrophobicContact CB-CZ 4.04Å; P43-F58 HydrophobicContact CB-CD1 4.49Å; G45-F58 WeakPolarHBondContact O-CA 3.39Å; V46-F58 HydrophobicContact CB-CD1 3.88Å; V46-F58 HydrophobicContact CB-CE1 3.95Å; V46-F58 HydrophobicContact CG2-CD1 3.69Å; V46-F58 HydrophobicContact CG2-CE1 3.53Å; V46-F58 HydrophobicContact CG2-CG 4.39Å; V46-F58 HydrophobicContact CG2-CZ 4.12Å; Y56-F58 HydrophobicContact CD1-CE2 4.43Å; Y56-F58 HydrophobicContact CD1-CZ 4.03Å; Y56-F58 HydrophobicContact CG-CE2 4.06Å; Y56-F58 HydrophobicContact CG-CZ 4.12Å; F58-V60 HydrophobicContact CB-CG2 3.92Å; F58-H69 CarbonylContact O-C 3.58Å; F58-H69 VanDerWaalsContact O-CA 3.24Å; F58-H69 WeakPolarHBondContact O-CA 3.46Å; F58-L70 HydrophobicContact CB-CB 4.17Å; F58-L70 HydrophobicContact CB-CD1 4.43Å; F58-L70 HydrophobicContact CB-CG 4.46Å; F58-L70 PolarHBondContact N-O 2.81Å; F58-L70 PolarHBondContact O-N 3.38Å; F58-V72 HydrophobicContact CD2-CB 4.38Å; F58-V72 HydrophobicContact CD2-CG2 3.93Å; F58-V72 HydrophobicContact CE2-CB 4.2Å; F58-V72 HydrophobicContact CE2-CG2 4.1Å
59	K	98.5	Very high	96.1	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.6	163.4	175.9	179.2	-71	168.6	0	107.9	E12 T44 G45 F67 H69 Q91 D93 L95	E12-K59 WeakPolarHBondContact OE1-CE 3.42Å; E12-K59 IonicContact OE1-NZ 2.91Å; E12-K59 PolarHBondContact OE1-NZ 2.86Å; E12-K59 IonicContact OE2-NZ 3.79Å; T44-K59 PolarHBondContact N-O 2.76Å; T44-K59 PolarHBondContact OG1-O 2.9Å; T44-K59 VanDerWaalsContact OG1-O 3.06Å; G45-K59 PolarHBondContact N-O 2.83Å; G45-K59 PolarHBondContact O-N 3.24Å; K59-F67 HydrophobicContact CD-CD1 4.19Å; K59-F67 HydrophobicContact CD-CE1 4.4Å; K59-F67 HydrophobicContact CG-CD1 3.69Å; K59-F67 HydrophobicContact CG-CE1 4.22Å; K59-H69 WeakPolarHBondContact CE-NE2 3.16Å; K59-Q91 WeakPolarHBondContact CE-O 3.44Å; K59-Q91 PolarHBondContact NZ-O 3.35Å; K59-D93 WeakPolarHBondContact CE-O 3.46Å; K59-D93 PolarHBondContact NZ-O 3.36Å; K59-L95 HydrophobicContact CB-CD1 3.62Å; K59-L95 HydrophobicContact CB-CD2 4.08Å; K59-L95 HydrophobicContact CB-CG 3.87Å
60	V	98.6	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	-173.8	-176.2	0	0	0	0	109.2	F41 K42 F58 V62 F67 I68 L70	F41-V60 HydrophobicContact CD1-CG1 3.64Å; F41-V60 HydrophobicContact CD2-CG1 4.05Å; F41-V60 HydrophobicContact CE1-CG1 3.76Å; F41-V60 HydrophobicContact CE1-CG2 4.39Å; F41-V60 HydrophobicContact CE2-CG1 4.16Å; F41-V60 HydrophobicContact CG-CG1 3.83Å; F41-V60 HydrophobicContact CZ-CG1 4.04Å; K42-V60 CarbonylContact O-C 3.52Å; K42-V60 WeakPolarHBondContact O-CA 3.42Å; F58-V60 HydrophobicContact CB-CG2 3.92Å; V60-V62 HydrophobicContact CG1-CG1 4.13Å; V60-F67 CarbonylContact O-C 3.57Å; V60-F67 VanDerWaalsContact O-CA 3.25Å; V60-F67 WeakPolarHBondContact O-CA 3.49Å; V60-I68 HydrophobicContact CB-CD1 4.48Å; V60-I68 HydrophobicContact CB-CG1 3.83Å; V60-I68 HydrophobicContact CG1-CG1 4.41Å; V60-I68 PolarHBondContact N-O 3.31Å; V60-I68 PolarHBondContact O-N 2.71Å; V60-L70 HydrophobicContact CG2-CD1 3.65Å; V60-L70 HydrophobicContact CG2-CG 3.97Å
61	M	98.3	Very high	96.5	Very high	48 Å²	48	33.1 Å²	33.1	24%	0.236	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.8	170	179.8	-173.9	-80.5	0	0	108.8	K42 T44 G63 F67	K42-M61 HydrophobicContact CB-CB 4.38Å; K42-M61 PolarHBondContact N-O 3.09Å; K42-M61 PolarHBondContact O-N 3.45Å; T44-M61 HydrophobicContact CG2-CB 4.13Å; M61-G63 WeakPolarHBondContact CG-O 3.19Å; M61-F67 HydrophobicContact CB-CD1 3.98Å; M61-F67 HydrophobicContact CB-CE1 3.58Å; M61-F67 HydrophobicContact CB-CZ 3.9Å; M61-F67 HydrophobicContact CE-CE1 4.18Å; M61-F67 HydrophobicContact CE-CE2 4.16Å; M61-F67 HydrophobicContact CE-CZ 3.45Å; M61-F67 VanDerWaalsContact CE-CZ 3.45Å; M61-F67 HydrophobicContact CG-CE1 4.22Å; M61-F67 HydrophobicContact CG-CE2 4.36Å; M61-F67 HydrophobicContact CG-CZ 4.02Å
62	V	98	Very high	96.8	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	1.2	178.3	-64.4	0	0	0	0	113.7	F38 T40 F41 V60 D66 I68	F38-V62 HydrophobicContact CD1-CB 3.55Å; F38-V62 HydrophobicContact CD1-CG1 3.79Å; F38-V62 HydrophobicContact CD1-CG2 4.11Å; F38-V62 HydrophobicContact CE1-CB 3.84Å; F38-V62 HydrophobicContact CE1-CG1 4Å; F38-V62 HydrophobicContact CE1-CG2 3.91Å; F38-V62 HydrophobicContact CG-CB 4.22Å; F38-V62 HydrophobicContact CG-CG1 4.04Å; F38-V62 HydrophobicContact CZ-CG1 4.49Å; T40-V62 VanDerWaalsContact O-CA 3.32Å; T40-V62 WeakPolarHBondContact O-CA 3.45Å; F41-V62 HydrophobicContact CD2-CG1 4.02Å; V60-V62 HydrophobicContact CG1-CG1 4.13Å; V62-D66 HydrophobicContact CG2-CB 3.99Å; V62-D66 VanDerWaalsContact CG2-O 3.3Å; V62-D66 WeakPolarHBondContact CG2-O 3.46Å; V62-D66 PolarHBondContact N-O 3.2Å; V62-I68 HydrophobicContact CG1-CD1 3.83Å; V62-I68 HydrophobicContact CG1-CG1 3.95Å; V62-I68 HydrophobicContact CG1-CG2 4.43Å; V62-I68 HydrophobicContact CG2-CG2 4Å
63	G	96.2	Very high	97	Very high	21 Å²	21	27.8 Å²	27.8	22%	0.216	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-179.8	174	0	0	0	0	0	111.5	M61 N65 D66	M61-G63 WeakPolarHBondContact CG-O 3.19Å; G63-N65 PolarHBondContact O-N 3.07Å; G63-D66 PolarHBondContact N-O 2.98Å; G63-D66 VanDerWaalsContact N-O 3.17Å; G63-D66 PolarHBondContact O-N 2.9Å
64	E	89.2	Confident	97.1	Very high	184 Å²	184	30.2 Å²	30.2	86%	0.86	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25	-171.1	-164.2	176	178.7	0	0	114.5
65	N	90.8	Very high	97.1	Very high	130 Å²	130	28.7 Å²	28.7	70%	0.695	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-148.2	25	169.9	-81.1	-52.7	0	0	0	111.4	G63	G63-N65 PolarHBondContact O-N 3.07Å
66	D	96.5	Very high	97	Very high	37 Å²	37	34.9 Å²	34.9	20%	0.198	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.9	-177.9	-169.9	11.6	0	0	0	108.2	R36 V62 G63	R36-D66 IonicContact CZ-OD2 3.37Å; R36-D66 IonicContact NH1-OD2 3.68Å; R36-D66 PolarHBondContact NH1-OD2 3.14Å; R36-D66 IonicContact NH2-OD2 3.74Å; R36-D66 PolarHBondContact NH2-OD2 2.69Å; V62-D66 HydrophobicContact CG2-CB 3.99Å; V62-D66 VanDerWaalsContact CG2-O 3.3Å; V62-D66 WeakPolarHBondContact CG2-O 3.46Å; V62-D66 PolarHBondContact N-O 3.2Å; G63-D66 PolarHBondContact N-O 2.98Å; G63-D66 VanDerWaalsContact N-O 3.17Å; G63-D66 PolarHBondContact O-N 2.9Å
67	F	98.3	Very high	96.9	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153	177.9	-70.6	-108.4	0	0	0	110.1	T44 K59 V60 M61 K89 Q91	T44-F67 HydrophobicContact CG2-CE1 4.43Å; K59-F67 HydrophobicContact CD-CD1 4.19Å; K59-F67 HydrophobicContact CD-CE1 4.4Å; K59-F67 HydrophobicContact CG-CD1 3.69Å; K59-F67 HydrophobicContact CG-CE1 4.22Å; V60-F67 CarbonylContact O-C 3.57Å; V60-F67 VanDerWaalsContact O-CA 3.25Å; V60-F67 WeakPolarHBondContact O-CA 3.49Å; M61-F67 HydrophobicContact CB-CD1 3.98Å; M61-F67 HydrophobicContact CB-CE1 3.58Å; M61-F67 HydrophobicContact CB-CZ 3.9Å; M61-F67 HydrophobicContact CE-CE1 4.18Å; M61-F67 HydrophobicContact CE-CE2 4.16Å; M61-F67 HydrophobicContact CE-CZ 3.45Å; M61-F67 VanDerWaalsContact CE-CZ 3.45Å; M61-F67 HydrophobicContact CG-CE1 4.22Å; M61-F67 HydrophobicContact CG-CE2 4.36Å; M61-F67 HydrophobicContact CG-CZ 4.02Å; F67-K89 HydrophobicContact CB-CB 4.01Å; F67-K89 PolarHBondContact N-O 2.94Å; F67-K89 WeakPolarHBondContact O-CA 3.32Å; F67-K89 WeakPolarHBondContact O-CB 3.47Å; F67-K89 PolarHBondContact O-N 2.87Å; F67-Q91 HydrophobicContact CD2-CB 4.33Å; F67-Q91 HydrophobicContact CE1-CB 4.27Å; F67-Q91 HydrophobicContact CE1-CG 4.42Å; F67-Q91 HydrophobicContact CE2-CB 3.65Å; F67-Q91 HydrophobicContact CE2-CG 4.48Å; F67-Q91 HydrophobicContact CZ-CB 3.59Å; F67-Q91 HydrophobicContact CZ-CG 3.93Å
68	I	98.3	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.8	167.5	65.4	-179.2	0	0	0	109.1	V30 F38 F41 V60 V62 L70 Q86 H87	V30-I68 HydrophobicContact CG1-CD1 3.71Å; F38-I68 HydrophobicContact CE2-CD1 4.4Å; F38-I68 HydrophobicContact CZ-CD1 4.43Å; F41-I68 HydrophobicContact CE2-CD1 3.78Å; F41-I68 HydrophobicContact CZ-CD1 4.36Å; V60-I68 HydrophobicContact CB-CD1 4.48Å; V60-I68 HydrophobicContact CB-CG1 3.83Å; V60-I68 HydrophobicContact CG1-CG1 4.41Å; V60-I68 PolarHBondContact N-O 3.31Å; V60-I68 PolarHBondContact O-N 2.71Å; V62-I68 HydrophobicContact CG1-CD1 3.83Å; V62-I68 HydrophobicContact CG1-CG1 3.95Å; V62-I68 HydrophobicContact CG1-CG2 4.43Å; V62-I68 HydrophobicContact CG2-CG2 4Å; I68-L70 HydrophobicContact CD1-CD2 3.68Å; I68-L70 HydrophobicContact CD1-CG 4.49Å; I68-L70 HydrophobicContact CG1-CD2 3.97Å; I68-L70 HydrophobicContact CG1-CG 4.47Å; I68-Q86 CarbonylContact C-O 3.53Å; I68-Q86 VanDerWaalsContact CA-O 3.23Å; I68-Q86 WeakPolarHBondContact CA-O 3.35Å; I68-Q86 WeakPolarHBondContact CB-O 3.45Å; I68-H87 HydrophobicContact CG2-CB 4.21Å
69	H	98.5	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.6	168.5	-64.8	177.5	0	0	0	109.1	F58 K59 V85 Q86 E94 L95 F98	F58-H69 CarbonylContact O-C 3.58Å; F58-H69 VanDerWaalsContact O-CA 3.24Å; F58-H69 WeakPolarHBondContact O-CA 3.46Å; K59-H69 WeakPolarHBondContact CE-NE2 3.16Å; H69-V85 CarbonylContact O-C 3.57Å; H69-V85 WeakPolarHBondContact O-CA 3.46Å; H69-Q86 HydrophobicContact CB-CB 4.32Å; H69-Q86 PolarHBondContact N-O 3.18Å; H69-Q86 PolarHBondContact O-N 2.92Å; H69-E94 PolarHBondContact CE1-O 3.33Å; H69-L95 HydrophobicContact CB-CD2 4.1Å; H69-F98 HydrophobicContact CB-CE1 3.77Å; H69-F98 HydrophobicContact CB-CZ 3.91Å; H69-F98 WeakPolarHBondContact O-CZ 3.48Å
70	L	98.6	Very high	96.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.4	178.6	-48.5	179.4	0	0	0	109.7	V26 V30 F41 F57 F58 V60 I68 V72 L82 V85	V26-L70 HydrophobicContact CG2-CD1 4.3Å; V30-L70 HydrophobicContact CG1-CD2 4.06Å; V30-L70 HydrophobicContact CG2-CD1 4.18Å; V30-L70 HydrophobicContact CG2-CD2 3.64Å; F41-L70 HydrophobicContact CE1-CD1 4.26Å; F41-L70 HydrophobicContact CZ-CD1 3.79Å; F57-L70 CarbonylContact C-O 3.54Å; F57-L70 WeakPolarHBondContact CA-O 3.45Å; F58-L70 HydrophobicContact CB-CB 4.17Å; F58-L70 HydrophobicContact CB-CD1 4.43Å; F58-L70 HydrophobicContact CB-CG 4.46Å; F58-L70 PolarHBondContact N-O 2.81Å; F58-L70 PolarHBondContact O-N 3.38Å; V60-L70 HydrophobicContact CG2-CD1 3.65Å; V60-L70 HydrophobicContact CG2-CG 3.97Å; I68-L70 HydrophobicContact CD1-CD2 3.68Å; I68-L70 HydrophobicContact CD1-CG 4.49Å; I68-L70 HydrophobicContact CG1-CD2 3.97Å; I68-L70 HydrophobicContact CG1-CG 4.47Å; L70-V72 HydrophobicContact CB-CG2 4.27Å; L70-L82 HydrophobicContact CB-CD1 4.36Å; L70-L82 HydrophobicContact CD2-CD1 4.45Å; L70-V85 HydrophobicContact CD2-CG1 4.04Å; L70-V85 HydrophobicContact CD2-CG2 4.05Å
71	R	98.3	Very high	96.4	Very high	32 Å²	32	57.8 Å²	57.8	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.6	162.5	-179.3	-178.5	177.8	175.2	3.3	108.4	N55 Y56 F57 H83 G84 Y97 F98	N55-R71 PolarHBondContact ND2-NH2 2.88Å; Y56-R71 CarbonylContact O-C 3.54Å; Y56-R71 WeakPolarHBondContact O-CA 3.32Å; F57-R71 HydrophobicContact CD1-CB 4.18Å; F57-R71 HydrophobicContact CD1-CG 4.22Å; F57-R71 HydrophobicContact CE1-CB 4.02Å; F57-R71 HydrophobicContact CE1-CG 3.69Å; F57-R71 HydrophobicContact CZ-CG 4.11Å; R71-H83 HydrophobicContact CB-CB 4.43Å; R71-H83 HydrophobicContact CG-CB 4.03Å; R71-H83 PolarHBondContact O-N 3.01Å; R71-G84 PolarHBondContact N-O 2.91Å; R71-G84 PolarHBondContact O-N 2.89Å; R71-Y97 PolarHBondContact NH1-OH 3.26Å; R71-Y97 PolarHBondContact NH2-OH 3.21Å; R71-F98 HydrophobicContact CB-CE2 3.88Å; R71-F98 HydrophobicContact CB-CZ 3.98Å; R71-F98 WeakPolarHBondContact CD-O 3.48Å; R71-F98 PolarHBondContact NH1-O 3.28Å
72	V	98.4	Very high	96.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.7	178.6	-178.6	0	0	0	0	108.3	L22 V26 N55 Y56 F58 L70 V80 Q81 L82	L22-V72 HydrophobicContact CD1-CG1 4.47Å; L22-V72 HydrophobicContact CD2-CG1 4.37Å; L22-V72 HydrophobicContact CG-CG1 4.28Å; V26-V72 HydrophobicContact CG1-CG1 4.06Å; V26-V72 HydrophobicContact CG1-CG2 4.33Å; V26-V72 HydrophobicContact CG2-CG2 3.76Å; N55-V72 CarbonylContact C-O 3.5Å; N55-V72 WeakPolarHBondContact CA-O 3.45Å; Y56-V72 PolarHBondContact N-O 3.44Å; Y56-V72 PolarHBondContact O-N 2.87Å; F58-V72 HydrophobicContact CD2-CB 4.38Å; F58-V72 HydrophobicContact CD2-CG2 3.93Å; F58-V72 HydrophobicContact CE2-CB 4.2Å; F58-V72 HydrophobicContact CE2-CG2 4.1Å; L70-V72 HydrophobicContact CB-CG2 4.27Å; V72-V80 HydrophobicContact CG1-CG1 3.62Å; V72-Q81 CarbonylContact C-O 3.44Å; V72-Q81 WeakPolarHBondContact CA-O 3.4Å; V72-L82 HydrophobicContact CG2-CD1 4.3Å
73	H	97.6	Very high	96.3	Very high	26 Å²	26	61 Å²	61	12%	0.12	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.7	174.1	-176.5	-128.1	0	0	0	109.6	A52 I54 N55 V80 Q81 H83	A52-H73 PolarHBondContact O-NE2 2.82Å; I54-H73 PolarHBondContact O-CD2 2.92Å; N55-H73 PolarHBondContact OD1-CD2 2.86Å; N55-H73 VanDerWaalsContact OD1-CD2 3.24Å; H73-V80 WeakPolarHBondContact O-CA 3.22Å; H73-Q81 PolarHBondContact N-O 3.38Å; H73-Q81 PolarHBondContact O-N 3.33Å; H73-H83 WeakPolarHBondContact CB-NE2 3.33Å; H73-H83 AromaticContact ND1-NE2 3.9Å
74	R	97.4	Very high	96.3	Very high	57 Å²	57	60.5 Å²	60.5	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.3	167.7	-172.2	-177.4	-74.2	-167.6	1.4	108.3	G53 I54 Y56 N79 V80	G53-R74 CarbonylContact C-O 3.52Å; G53-R74 VanDerWaalsContact CA-O 3.26Å; G53-R74 WeakPolarHBondContact CA-O 3.45Å; I54-R74 PolarHBondContact N-O 2.86Å; I54-R74 PolarHBondContact O-N 2.79Å; Y56-R74 HydrophobicContact CD2-CB 4.45Å; Y56-R74 HydrophobicContact CE2-CB 3.85Å; R74-N79 CarbonylContact C-O 3.6Å; R74-N79 VanDerWaalsContact CA-O 3.29Å; R74-N79 WeakPolarHBondContact CA-O 3.26Å; R74-V80 HydrophobicContact CG-CG2 4.35Å
75	T	96.3	Very high	96.7	Very high	27 Å²	27	52.8 Å²	52.8	17%	0.166	26%	0.263	C	S	.	.			trans	-71.4	168.5	179.4	76	0	0	0	0	111.3	E77 Q78 N79	T75-E77 PolarHBondContact O-N 3.42Å; T75-E77 PolarHBondContact OG1-N 2.84Å; T75-Q78 PolarHBondContact O-N 3Å; T75-N79 HydrophobicContact CG2-CB 4.15Å; T75-N79 PolarHBondContact N-O 3.19Å; T75-N79 WeakPolarHBondContact OG1-CB 3.45Å; T75-N79 PolarHBondContact OG1-N 2.88Å
76	L	94.5	Very high	97.1	Very high	134 Å²	134	49.1 Å²	49.1	70%	0.702	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.5	174	-63.1	174.3	0	0	0	112.6	Q78	L76-Q78 PolarHBondContact O-N 3.49Å
77	E	96.3	Very high	97	Very high	159 Å²	159	53.5 Å²	53.5	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	10.4	175.6	-60.3	169.8	120.8	0	0	113	T75 N79	T75-E77 PolarHBondContact O-N 3.42Å; T75-E77 PolarHBondContact OG1-N 2.84Å; E77-N79 PolarHBondContact O-N 3.15Å
78	Q	92.9	Very high	96.8	Very high	122 Å²	122	56.2 Å²	56.2	57%	0.57	29%	0.289	S	S	*	.			trans	67.3	13.6	-179.8	-49	-61.5	-44.4	0	0	115.3	T75 L76	T75-Q78 PolarHBondContact O-N 3Å; L76-Q78 PolarHBondContact O-N 3.49Å
79	N	95.8	Very high	96.7	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	30%	0.3	S	S	.	.			trans	-71.6	139.8	170.9	-66.4	-48.5	0	0	0	110	R74 T75 E77	R74-N79 CarbonylContact C-O 3.6Å; R74-N79 VanDerWaalsContact CA-O 3.29Å; R74-N79 WeakPolarHBondContact CA-O 3.26Å; T75-N79 HydrophobicContact CG2-CB 4.15Å; T75-N79 PolarHBondContact N-O 3.19Å; T75-N79 WeakPolarHBondContact OG1-CB 3.45Å; T75-N79 PolarHBondContact OG1-N 2.88Å; E77-N79 PolarHBondContact O-N 3.15Å
80	V	97	Very high	96.6	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.6	-175.5	176.2	0	0	0	0	109.3	L22 V26 V72 H73 R74	L22-V80 HydrophobicContact CD1-CB 4.02Å; L22-V80 HydrophobicContact CD1-CG1 3.42Å; L22-V80 VanDerWaalsContact CD1-CG1 3.42Å; L22-V80 HydrophobicContact CD1-CG2 3.35Å; L22-V80 HydrophobicContact CG-CG1 4.44Å; V26-V80 HydrophobicContact CG1-CG1 3.69Å; V72-V80 HydrophobicContact CG1-CG1 3.62Å; H73-V80 WeakPolarHBondContact O-CA 3.22Å; R74-V80 HydrophobicContact CG-CG2 4.35Å
81	Q	96.3	Very high	96.5	Very high	108 Å²	108	70.1 Å²	70.1	51%	0.505	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.5	178.8	-64.8	-178.3	-12.4	0	0	111.3	V72 H73	V72-Q81 CarbonylContact C-O 3.44Å; V72-Q81 WeakPolarHBondContact CA-O 3.4Å; H73-Q81 PolarHBondContact N-O 3.38Å; H73-Q81 PolarHBondContact O-N 3.33Å
82	L	98	Very high	96.3	Very high	28 Å²	28	76.3 Å²	76.3	15%	0.147	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.1	167.5	-177.7	69	0	0	0	109.2	V26 D29 V30 L70 V72 V85	V26-L82 HydrophobicContact CB-CB 4.46Å; D29-L82 HydrophobicContact CB-CB 4.16Å; D29-L82 HydrophobicContact CB-CD2 3.85Å; V30-L82 HydrophobicContact CB-CD2 4.24Å; V30-L82 HydrophobicContact CG2-CD1 3.84Å; V30-L82 HydrophobicContact CG2-CD2 3.52Å; V30-L82 HydrophobicContact CG2-CG 4.32Å; L70-L82 HydrophobicContact CB-CD1 4.36Å; L70-L82 HydrophobicContact CD2-CD1 4.45Å; V72-L82 HydrophobicContact CG2-CD1 4.3Å; L82-V85 HydrophobicContact CD1-CG2 3.9Å; L82-V85 HydrophobicContact CD2-CG2 3.69Å; L82-V85 HydrophobicContact CG-CG2 4.08Å
83	H	96.6	Very high	96.2	Very high	94 Å²	94	79 Å²	79	44%	0.435	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-24.8	-179	-87.5	-126.8	0	0	0	113.2	R71 H73	R71-H83 HydrophobicContact CB-CB 4.43Å; R71-H83 HydrophobicContact CG-CB 4.03Å; R71-H83 PolarHBondContact O-N 3.01Å; H73-H83 WeakPolarHBondContact CB-NE2 3.33Å; H73-H83 AromaticContact ND1-NE2 3.9Å
84	G	97.1	Very high	96	Very high	10 Å²	10	83.1 Å²	83.1	10%	0.103	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	151	-177.9	0	0	0	0	0	112.5	R71	R71-G84 PolarHBondContact N-O 2.91Å; R71-G84 PolarHBondContact O-N 2.89Å
85	V	98	Very high	95.9	Very high	23 Å²	23	80.4 Å²	80.4	14%	0.139	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.3	175	-174.9	0	0	0	0	108.4	V30 L34 H69 L70 L82	V30-V85 HydrophobicContact CG1-CG1 4.24Å; V30-V85 HydrophobicContact CG1-CG2 4.27Å; V30-V85 HydrophobicContact CG2-CG2 4.21Å; L34-V85 HydrophobicContact CD1-CG1 3.81Å; L34-V85 HydrophobicContact CD2-CG1 4.01Å; L34-V85 HydrophobicContact CG-CG1 4.09Å; H69-V85 CarbonylContact O-C 3.57Å; H69-V85 WeakPolarHBondContact O-CA 3.46Å; L70-V85 HydrophobicContact CD2-CG1 4.04Å; L70-V85 HydrophobicContact CD2-CG2 4.05Å; L82-V85 HydrophobicContact CD1-CG2 3.9Å; L82-V85 HydrophobicContact CD2-CG2 3.69Å; L82-V85 HydrophobicContact CG-CG2 4.08Å
86	Q	97.6	Very high	95.6	Very high	52 Å²	52	82 Å²	82	24%	0.243	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.2	164.7	-61.1	-175.7	-14	0	0	108.6	I68 H69 F98	I68-Q86 CarbonylContact C-O 3.53Å; I68-Q86 VanDerWaalsContact CA-O 3.23Å; I68-Q86 WeakPolarHBondContact CA-O 3.35Å; I68-Q86 WeakPolarHBondContact CB-O 3.45Å; H69-Q86 HydrophobicContact CB-CB 4.32Å; H69-Q86 PolarHBondContact N-O 3.18Å; H69-Q86 PolarHBondContact O-N 2.92Å; Q86-F98 HydrophobicContact CG-CD1 4.27Å; Q86-F98 HydrophobicContact CG-CD2 3.73Å; Q86-F98 HydrophobicContact CG-CE1 4.38Å; Q86-F98 HydrophobicContact CG-CE2 3.82Å; Q86-F98 HydrophobicContact CG-CG 3.96Å; Q86-F98 HydrophobicContact CG-CZ 4.16Å; Q86-F98 VanDerWaalsContact NE2-CG 3.26Å
87	H	94.5	Very high	95.5	Very high	130 Å²	130	81.5 Å²	81.5	60%	0.602	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	169.8	178.8	62.9	75.1	0	0	0	111.8	I68 K89	I68-H87 HydrophobicContact CG2-CB 4.21Å; H87-K89 VanDerWaalsContact C-N 3.3Å
88	G	94.2	Very high	95.4	Very high	58 Å²	58	77 Å²	77	60%	0.598	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	70.5	27.6	-179.4	0	0	0	0	0	113.2
89	K	97.2	Very high	95.5	Very high	49 Å²	49	74.8 Å²	74.8	21%	0.213	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	163.6	176	-59.4	-65.2	-174.4	170	0	110.6	F67 H87 D93	F67-K89 HydrophobicContact CB-CB 4.01Å; F67-K89 PolarHBondContact N-O 2.94Å; F67-K89 WeakPolarHBondContact O-CA 3.32Å; F67-K89 WeakPolarHBondContact O-CB 3.47Å; F67-K89 PolarHBondContact O-N 2.87Å; H87-K89 VanDerWaalsContact C-N 3.3Å; K89-D93 VanDerWaalsContact CA-OD2 3.25Å; K89-D93 WeakPolarHBondContact CA-OD2 3.38Å; K89-D93 HydrophobicContact CB-CB 4.45Å; K89-D93 HydrophobicContact CD-CB 4.22Å
90	K	96.3	Very high	95.5	Very high	117 Å²	117	74.1 Å²	74.1	51%	0.509	37%	0.369	S	S	.	.			trans	-117	166.6	173.2	-59.4	-172.5	-179.4	-170	0	110.5	E92 D93	K90-E92 HydrophobicContact CB-CG 4.12Å; K90-E92 PolarHBondContact O-N 2.87Å; K90-D93 PolarHBondContact N-OD2 2.97Å; K90-D93 WeakPolarHBondContact O-CB 3.29Å; K90-D93 PolarHBondContact O-N 3.25Å; K90-D93 VanDerWaalsContact O-N 3.14Å
91	Q	95.6	Very high	95.4	Very high	126 Å²	126	76.4 Å²	76.4	59%	0.589	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.8	177.2	-174.6	171.2	-32.9	0	0	112.9	K59 F67	K59-Q91 WeakPolarHBondContact CE-O 3.44Å; K59-Q91 PolarHBondContact NZ-O 3.35Å; F67-Q91 HydrophobicContact CD2-CB 4.33Å; F67-Q91 HydrophobicContact CE1-CB 4.27Å; F67-Q91 HydrophobicContact CE1-CG 4.42Å; F67-Q91 HydrophobicContact CE2-CB 3.65Å; F67-Q91 HydrophobicContact CE2-CG 4.48Å; F67-Q91 HydrophobicContact CZ-CB 3.59Å; F67-Q91 HydrophobicContact CZ-CG 3.93Å
92	E	95.4	Very high	95.4	Very high	161 Å²	161	74.5 Å²	74.5	75%	0.752	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.8	-177.6	62.9	-166.7	171.1	0	0	114	K90 E94	K90-E92 HydrophobicContact CB-CG 4.12Å; K90-E92 PolarHBondContact O-N 2.87Å; E92-E94 PolarHBondContact O-N 3.32Å
93	D	95.5	Very high	95.2	Very high	57 Å²	57	77.4 Å²	77.4	31%	0.305	39%	0.385	S	S	.	.	S	Bend	trans	-64.6	131.1	177.8	-74.9	-40.6	0	0	0	110.2	K59 K89 K90	K59-D93 WeakPolarHBondContact CE-O 3.46Å; K59-D93 PolarHBondContact NZ-O 3.36Å; K89-D93 VanDerWaalsContact CA-OD2 3.25Å; K89-D93 WeakPolarHBondContact CA-OD2 3.38Å; K89-D93 HydrophobicContact CB-CB 4.45Å; K89-D93 HydrophobicContact CD-CB 4.22Å; K90-D93 PolarHBondContact N-OD2 2.97Å; K90-D93 WeakPolarHBondContact O-CB 3.29Å; K90-D93 PolarHBondContact O-N 3.25Å; K90-D93 VanDerWaalsContact O-N 3.14Å
94	E	94	Very high	95.1	Very high	112 Å²	112	76.3 Å²	76.3	52%	0.523	38%	0.381	S	S	.	.			trans	-69.8	135.8	-178.9	-169.4	-178.6	-178.8	0	0	111.5	R47 H69 E92 T96	R47-E94 IonicContact CZ-OE1 2.69Å; R47-E94 VanDerWaalsContact CZ-OE1 3.25Å; R47-E94 IonicContact NH1-OE1 2.71Å; R47-E94 PolarHBondContact NH1-OE1 3.24Å; R47-E94 VanDerWaalsContact NH2-CG 3.29Å; R47-E94 IonicContact NH2-OE1 3.14Å; R47-E94 PolarHBondContact NH2-OE1 2.99Å; H69-E94 PolarHBondContact CE1-O 3.33Å; E92-E94 PolarHBondContact O-N 3.32Å; E94-T96 HydrophobicContact CB-CG2 4.28Å; E94-T96 HydrophobicContact CG-CG2 4.11Å; E94-T96 PolarHBondContact O-N 2.86Å; E94-T96 VanDerWaalsContact O-N 3.13Å
95	L	94	Very high	95	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.401	C	S	.	.			trans	-69.5	104.3	166.4	-85.7	168.2	0	0	0	110.4	E12 R47 F57 K59 H69	E12-L95 HydrophobicContact CG-CD1 4.05Å; R47-L95 WeakPolarHBondContact CD-O 3.39Å; R47-L95 HydrophobicContact CG-CB 4.08Å; R47-L95 HydrophobicContact CG-CD1 4.47Å; R47-L95 PolarHBondContact NE-O 3.39Å; R47-L95 PolarHBondContact NH1-O 3.3Å; F57-L95 HydrophobicContact CB-CD2 4.15Å; K59-L95 HydrophobicContact CB-CD1 3.62Å; K59-L95 HydrophobicContact CB-CD2 4.08Å; K59-L95 HydrophobicContact CB-CG 3.87Å; H69-L95 HydrophobicContact CB-CD2 4.1Å
96	T	91.6	Very high	94.7	Very high	61 Å²	61	85.5 Å²	85.5	37%	0.374	42%	0.421	S	S	.	.			trans	-113.4	169.3	176.8	51.8	0	0	0	0	110.8	E94 F98	E94-T96 HydrophobicContact CB-CG2 4.28Å; E94-T96 HydrophobicContact CG-CG2 4.11Å; E94-T96 PolarHBondContact O-N 2.86Å; E94-T96 VanDerWaalsContact O-N 3.13Å; T96-F98 VanDerWaalsContact O-CD1 3.29Å; T96-F98 WeakPolarHBondContact O-CD1 3.47Å
97	Y	91.9	Very high	94.5	Very high	124 Å²	124	88.3 Å²	88.3	49%	0.486	44%	0.436	S	S	.	.			trans	-68.9	138.5	171.2	-179.7	-82.9	0	0	0	110.3	F57 R71	F57-Y97 HydrophobicContact CE1-CD2 4.12Å; F57-Y97 HydrophobicContact CE1-CG 4.45Å; F57-Y97 HydrophobicContact CE2-CD2 4.17Å; F57-Y97 AromaticContact CZ-CD2 3.39Å; F57-Y97 HydrophobicContact CZ-CD2 3.39Å; F57-Y97 AromaticContact CZ-CE2 3.96Å; F57-Y97 HydrophobicContact CZ-CE2 3.96Å; F57-Y97 HydrophobicContact CZ-CG 4.1Å; R71-Y97 PolarHBondContact NH1-OH 3.26Å; R71-Y97 PolarHBondContact NH2-OH 3.21Å
98	F	93.6	Very high	94.5	Very high	65 Å²	65	84.5 Å²	84.5	29%	0.285	42%	0.421	S	S	.	.			trans	-152.8	0	172.6	60.8	-90.2	0	0	0	112	F57 H69 R71 Q86 T96	F57-F98 HydrophobicContact CD1-CD1 4.2Å; F57-F98 AromaticContact CD1-CE1 3.9Å; F57-F98 HydrophobicContact CD1-CE1 3.9Å; F57-F98 HydrophobicContact CE1-CD1 4.4Å; F57-F98 HydrophobicContact CE1-CE1 4.45Å; H69-F98 HydrophobicContact CB-CE1 3.77Å; H69-F98 HydrophobicContact CB-CZ 3.91Å; H69-F98 WeakPolarHBondContact O-CZ 3.48Å; R71-F98 HydrophobicContact CB-CE2 3.88Å; R71-F98 HydrophobicContact CB-CZ 3.98Å; R71-F98 WeakPolarHBondContact CD-O 3.48Å; R71-F98 PolarHBondContact NH1-O 3.28Å; Q86-F98 HydrophobicContact CG-CD1 4.27Å; Q86-F98 HydrophobicContact CG-CD2 3.73Å; Q86-F98 HydrophobicContact CG-CE1 4.38Å; Q86-F98 HydrophobicContact CG-CE2 3.82Å; Q86-F98 HydrophobicContact CG-CG 3.96Å; Q86-F98 HydrophobicContact CG-CZ 4.16Å; Q86-F98 VanDerWaalsContact NE2-CG 3.26Å; T96-F98 VanDerWaalsContact O-CD1 3.29Å; T96-F98 WeakPolarHBondContact O-CD1 3.47Å

Retrieved 98 of 98 residues in 191.3 ms (Link to these results)

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