G4VED8_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession G4VED8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 aa.

						>G4VED8_SCHMA|G4VED8
MEVKLLIVLVLFVVCHLVLCASLREQCLQPPQIGKGDSNLTRFYYDKSKNQCIQFFYKGRNSDRNNFRTKIACEWYCVVKKRK
					

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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	57.9	Low	86.2	Confident	224 Å²	224	119.2 Å²	119.2	100%	1.103	62%	0.616	S	S	*	*				0	94.4	0	-66.2	-162.7	-60	0	0	106.8
2	E	74.9	Confident	86.7	Confident	146 Å²	146	120.1 Å²	120.1	68%	0.682	61%	0.612	S	S	*	*			trans	-97.1	150.6	-147.6	-53.3	-148.8	158.9	0	0	111.6	K4 L5	E2-K4 CarbonylContact O-C 3.52Å; E2-K4 PolarHBondContact O-N 2.87Å; E2-L5 PolarHBondContact O-N 3.38Å
3	V	83.9	Confident	87.1	Confident	108 Å²	108	117.4 Å²	117.4	66%	0.655	60%	0.604	S	S	*	*	H	α-helix	trans	-38.4	-31.7	-177.3	-176	0	0	0	0	113.9	L5 L6 I7	V3-L5 PolarHBondContact O-N 3.28Å; V3-L6 WeakPolarHBondContact O-CB 3.4Å; V3-L6 PolarHBondContact O-N 3.37Å; V3-L6 VanDerWaalsContact O-N 3.11Å; V3-I7 HydrophobicContact CG1-CD1 3.89Å; V3-I7 HydrophobicContact CG1-CG1 4.2Å; V3-I7 WeakPolarHBondContact O-CG1 3.35Å; V3-I7 PolarHBondContact O-N 2.82Å
4	K	86.1	Confident	87.4	Confident	161 Å²	161	114.4 Å²	114.4	70%	0.7	59%	0.594	S	S	*	*	H	α-helix	trans	-50.8	-46.1	171.1	-65.3	-179.7	179.2	175.2	0	113.9	E2 L6 I7 V8	E2-K4 CarbonylContact O-C 3.52Å; E2-K4 PolarHBondContact O-N 2.87Å; K4-L6 VanDerWaalsContact C-N 3.33Å; K4-I7 PolarHBondContact O-N 3.2Å; K4-V8 VanDerWaalsContact O-CG2 3.28Å; K4-V8 WeakPolarHBondContact O-CG2 3.28Å; K4-V8 PolarHBondContact O-N 3.46Å
5	L	86.7	Confident	87.4	Confident	104 Å²	104	111.1 Å²	111.1	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-66.2	-38.4	178.1	-175.1	62.7	0	0	0	111.2	E2 V3 V8 L9	E2-L5 PolarHBondContact O-N 3.38Å; V3-L5 PolarHBondContact O-N 3.28Å; L5-V8 PolarHBondContact O-N 3.4Å; L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 VanDerWaalsContact O-CG 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.58Å
6	L	90.9	Very high	87.2	Confident	120 Å²	120	112.3 Å²	112.3	63%	0.628	59%	0.585	S	S	*	*	H	α-helix	trans	-65.4	-43.7	176.2	-141.2	93.7	0	0	0	111.3	V3 K4 L9 V10	V3-L6 WeakPolarHBondContact O-CB 3.4Å; V3-L6 PolarHBondContact O-N 3.37Å; V3-L6 VanDerWaalsContact O-N 3.11Å; K4-L6 VanDerWaalsContact C-N 3.33Å; L6-L9 PolarHBondContact O-N 3.47Å; L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.33Å
7	I	93.4	Very high	87	Confident	93 Å²	93	112.6 Å²	112.6	48%	0.477	59%	0.587	S	S	.	*	H	α-helix	trans	-60.7	-46.1	175.9	-68.8	167.3	0	0	0	110.3	V3 K4 L9 V10 L11	V3-I7 HydrophobicContact CG1-CD1 3.89Å; V3-I7 HydrophobicContact CG1-CG1 4.2Å; V3-I7 WeakPolarHBondContact O-CG1 3.35Å; V3-I7 PolarHBondContact O-N 2.82Å; K4-I7 PolarHBondContact O-N 3.2Å; I7-L9 PolarHBondContact O-N 3.26Å; I7-V10 PolarHBondContact O-N 3.31Å; I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.22Å; I7-L11 WeakPolarHBondContact O-CB 3.34Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.75Å
8	V	93.6	Very high	86.8	Confident	68 Å²	68	111.6 Å²	111.6	41%	0.412	59%	0.586	S	S	.	*	H	α-helix	trans	-59.2	-47.2	177.1	171	0	0	0	0	110.6	K4 L5 V10 L11 F12	K4-V8 VanDerWaalsContact O-CG2 3.28Å; K4-V8 WeakPolarHBondContact O-CG2 3.28Å; K4-V8 PolarHBondContact O-N 3.46Å; L5-V8 PolarHBondContact O-N 3.4Å; V8-V10 PolarHBondContact O-N 2.91Å; V8-L11 PolarHBondContact O-N 2.81Å; V8-F12 HydrophobicContact CG1-CD2 3.7Å; V8-F12 HydrophobicContact CG1-CE2 3.78Å; V8-F12 WeakPolarHBondContact O-CD2 3.3Å; V8-F12 PolarHBondContact O-N 3.26Å
9	L	94.2	Very high	86.4	Confident	97 Å²	97	110.8 Å²	110.8	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-59.9	-44.7	176.8	-71.7	171.8	0	0	0	112.1	L5 L6 I7 F12 V13	L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 VanDerWaalsContact O-CG 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.58Å; L6-L9 PolarHBondContact O-N 3.47Å; I7-L9 PolarHBondContact O-N 3.26Å; L9-F12 PolarHBondContact O-N 3.03Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 2.95Å
10	V	94.4	Very high	85.8	Confident	80 Å²	80	109.7 Å²	109.7	49%	0.485	58%	0.582	S	S	.	*	H	α-helix	trans	-62	-44.7	176.8	171	0	0	0	0	111	L6 I7 V8 F12 V13 V14	L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.33Å; I7-V10 PolarHBondContact O-N 3.31Å; V8-V10 PolarHBondContact O-N 2.91Å; V10-F12 VanDerWaalsContact C-N 3.34Å; V10-F12 PolarHBondContact O-N 3.33Å; V10-V13 PolarHBondContact O-N 3.24Å; V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 WeakPolarHBondContact O-CB 3.29Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 3.45Å
11	L	92.3	Very high	85.3	Confident	110 Å²	110	107.8 Å²	107.8	58%	0.576	58%	0.582	S	S	*	*	H	α-helix	trans	-61.1	-42.6	176.9	-71.2	173.7	0	0	0	111.7	I7 V8 C15	I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.22Å; I7-L11 WeakPolarHBondContact O-CB 3.34Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.75Å; V8-L11 PolarHBondContact O-N 2.81Å; L11-C15 WeakPolarHBondContact O-CB 3.49Å; L11-C15 PolarHBondContact O-N 3.49Å
12	F	92.4	Very high	86	Confident	130 Å²	130	98.4 Å²	98.4	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-61.6	-47.1	174.4	-93.7	-78.3	0	0	0	111.8	V8 L9 V10 C15 H16	V8-F12 HydrophobicContact CG1-CD2 3.7Å; V8-F12 HydrophobicContact CG1-CE2 3.78Å; V8-F12 WeakPolarHBondContact O-CD2 3.3Å; V8-F12 PolarHBondContact O-N 3.26Å; L9-F12 PolarHBondContact O-N 3.03Å; V10-F12 VanDerWaalsContact C-N 3.34Å; V10-F12 PolarHBondContact O-N 3.33Å; F12-C15 WeakPolarHBondContact O-CB 3.32Å; F12-C15 PolarHBondContact O-N 3.05Å; F12-H16 PolarHBondContact O-CD2 3.26Å; F12-H16 VanDerWaalsContact O-CD2 3.26Å; F12-H16 PolarHBondContact O-N 3.26Å
13	V	91.9	Very high	86	Confident	85 Å²	85	95 Å²	95	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-47.4	178.8	171.5	0	0	0	0	111	L9 V10 C15 H16 L17	L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 2.95Å; V10-V13 PolarHBondContact O-N 3.24Å; V13-C15 VanDerWaalsContact C-N 3.33Å; V13-C15 PolarHBondContact O-N 3.18Å; V13-H16 PolarHBondContact O-N 3.27Å; V13-L17 HydrophobicContact CG1-CD1 4.04Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 VanDerWaalsContact O-CG 3.32Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.02Å
14	V	90.6	Very high	85.8	Confident	75 Å²	75	97.4 Å²	97.4	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-44.8	177.1	171.8	0	0	0	0	110.6	V10 H16 L17 V18	V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 WeakPolarHBondContact O-CB 3.29Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 3.45Å; V14-H16 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 3.39Å; V14-V18 HydrophobicContact CG1-CG2 4.29Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 2.97Å; V14-V18 PolarHBondContact O-N 3.3Å
15	C	87.4	Confident	85.8	Confident	66 Å²	66	96.2 Å²	96.2	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-58.3	-47	176.4	-173.7	0	0	0	0	111.6	L11 F12 V13 L17 V18 L19	L11-C15 WeakPolarHBondContact O-CB 3.49Å; L11-C15 PolarHBondContact O-N 3.49Å; F12-C15 WeakPolarHBondContact O-CB 3.32Å; F12-C15 PolarHBondContact O-N 3.05Å; V13-C15 VanDerWaalsContact C-N 3.33Å; V13-C15 PolarHBondContact O-N 3.18Å; C15-L17 PolarHBondContact O-N 2.68Å; C15-V18 PolarHBondContact O-N 2.87Å; C15-L19 WeakPolarHBondContact O-CB 3.34Å; C15-L19 WeakPolarHBondContact O-CD1 3.31Å; C15-L19 VanDerWaalsContact O-CG 3.27Å; C15-L19 WeakPolarHBondContact O-CG 2.98Å; C15-L19 PolarHBondContact O-N 3.39Å
16	H	85.1	Confident	86	Confident	129 Å²	129	92.2 Å²	92.2	60%	0.597	50%	0.497	S	S	*	.	H	α-helix	trans	-59.7	-43.6	176.1	-89.9	-74.2	0	0	0	112.8	F12 V13 V14 C20	F12-H16 PolarHBondContact O-CD2 3.26Å; F12-H16 VanDerWaalsContact O-CD2 3.26Å; F12-H16 PolarHBondContact O-N 3.26Å; V13-H16 PolarHBondContact O-N 3.27Å; V14-H16 PolarHBondContact O-N 3.32Å; H16-C20 WeakPolarHBondContact O-CB 3.27Å; H16-C20 PolarHBondContact O-N 3.34Å
17	L	83.4	Confident	86.2	Confident	119 Å²	119	86.7 Å²	86.7	62%	0.623	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-45.1	178.4	-68.9	174	0	0	0	111.7	V13 V14 C15 C20 A21	V13-L17 HydrophobicContact CG1-CD1 4.04Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 VanDerWaalsContact O-CG 3.32Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.02Å; V14-L17 PolarHBondContact O-N 3.39Å; C15-L17 PolarHBondContact O-N 2.68Å; L17-C20 PolarHBondContact O-N 2.81Å; L17-A21 PolarHBondContact O-N 3.44Å
18	V	83.9	Confident	86.2	Confident	94 Å²	94	87.2 Å²	87.2	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-65.7	-44	178.9	174.2	0	0	0	0	111.3	V14 C15 C20 A21 S22	V14-V18 HydrophobicContact CG1-CG2 4.29Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 2.97Å; V14-V18 PolarHBondContact O-N 3.3Å; C15-V18 PolarHBondContact O-N 2.87Å; V18-C20 VanDerWaalsContact C-N 3.33Å; V18-C20 PolarHBondContact O-N 2.03Å; V18-A21 PolarHBondContact O-N 2.78Å; V18-S22 PolarHBondContact O-N 2.86Å
19	L	78.3	Confident	86.2	Confident	97 Å²	97	86.8 Å²	86.8	51%	0.508	47%	0.465	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.2	-76.2	164.2	0	0	0	111.4	C15 S22 L23	C15-L19 WeakPolarHBondContact O-CB 3.34Å; C15-L19 WeakPolarHBondContact O-CD1 3.31Å; C15-L19 VanDerWaalsContact O-CG 3.27Å; C15-L19 WeakPolarHBondContact O-CG 2.98Å; C15-L19 PolarHBondContact O-N 3.39Å; L19-S22 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-OG 2.77Å; L19-L23 PolarHBondContact O-N 3.2Å
20	C	75.2	Confident	86.2	Confident	88 Å²	88	86.4 Å²	86.4	60%	0.595	47%	0.468	S	S	*	.	H	α-helix	trans	-64.6	-40.4	179.1	-165	0	0	0	0	112.2	H16 L17 V18 S22 L23	H16-C20 WeakPolarHBondContact O-CB 3.27Å; H16-C20 PolarHBondContact O-N 3.34Å; L17-C20 PolarHBondContact O-N 2.81Å; V18-C20 VanDerWaalsContact C-N 3.33Å; V18-C20 PolarHBondContact O-N 2.03Å; C20-S22 PolarHBondContact O-N 3.25Å; C20-L23 PolarHBondContact O-N 2.9Å
21	A	75.2	Confident	86.2	Confident	69 Å²	69	85.1 Å²	85.1	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-62.2	-42.6	175.2	0	0	0	0	0	112	L17 V18 L23 R24	L17-A21 PolarHBondContact O-N 3.44Å; V18-A21 PolarHBondContact O-N 2.78Å; A21-L23 VanDerWaalsContact C-N 3.26Å; A21-L23 PolarHBondContact O-N 2.03Å; A21-R24 PolarHBondContact O-N 3.31Å
22	S	72.8	Confident	86.4	Confident	27 Å²	27	83.1 Å²	83.1	19%	0.189	45%	0.449	C	S	.	.	H	α-helix	trans	-64.4	-27.1	-179	80.1	0	0	0	0	114	V18 L19 C20 R24 E25 Q26	V18-S22 PolarHBondContact O-N 2.86Å; L19-S22 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-OG 2.77Å; C20-S22 PolarHBondContact O-N 3.25Å; S22-R24 PolarHBondContact O-N 3.33Å; S22-E25 PolarHBondContact O-N 3.39Å; S22-Q26 PolarHBondContact O-N 2.69Å
23	L	73.6	Confident	86.5	Confident	74 Å²	74	81.8 Å²	81.8	39%	0.387	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-24.7	179.2	-78.5	170	0	0	0	113.1	L19 C20 A21 Q26 Y76	L19-L23 PolarHBondContact O-N 3.2Å; C20-L23 PolarHBondContact O-N 2.9Å; A21-L23 VanDerWaalsContact C-N 3.26Å; A21-L23 PolarHBondContact O-N 2.03Å; L23-Q26 WeakPolarHBondContact O-CG 3.39Å; L23-Y76 HydrophobicContact CD2-CD1 4.37Å; L23-Y76 HydrophobicContact CD2-CE1 4.26Å
24	R	79.6	Confident	86.7	Confident	160 Å²	160	79 Å²	79	60%	0.604	44%	0.435	S	S	*	.	H	α-helix	trans	-85.3	-32.3	174.4	-112.1	177.7	-176	-171.8	4.2	112.6	A21 S22 Q26 C27	A21-R24 PolarHBondContact O-N 3.31Å; S22-R24 PolarHBondContact O-N 3.33Å; R24-Q26 VanDerWaalsContact C-N 3.32Å; R24-Q26 PolarHBondContact O-N 3.25Å; R24-C27 WeakPolarHBondContact O-CB 3.5Å; R24-C27 PolarHBondContact O-N 3.49Å
25	E	87.2	Confident	86.9	Confident	136 Å²	136	82 Å²	82	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-39.2	-179.2	-167.1	172	-164.1	0	0	111.7	S22 C27 L28 Q29	S22-E25 PolarHBondContact O-N 3.39Å; E25-C27 PolarHBondContact O-N 3.31Å; E25-L28 WeakPolarHBondContact O-CB 3.01Å; E25-L28 PolarHBondContact O-N 3.3Å; E25-Q29 PolarHBondContact O-N 3.44Å
26	Q	91.4	Very high	87.3	Confident	20 Å²	20	79.4 Å²	79.4	9%	0.093	43%	0.427	C	S	.	.	H	α-helix	trans	-56.4	-35.3	174.5	54	172.6	41.9	0	0	113.6	S22 L23 R24 L28 Q29 R64 N65	S22-Q26 PolarHBondContact O-N 2.69Å; L23-Q26 WeakPolarHBondContact O-CG 3.39Å; R24-Q26 VanDerWaalsContact C-N 3.32Å; R24-Q26 PolarHBondContact O-N 3.25Å; Q26-L28 PolarHBondContact O-N 3.04Å; Q26-Q29 PolarHBondContact O-N 3.34Å; Q26-R64 HydrophobicContact CB-CB 3.32Å; Q26-R64 HydrophobicContact CB-CG 4.33Å; Q26-R64 HydrophobicContact CG-CB 4.31Å; Q26-N65 VanDerWaalsContact O-CB 3.25Å; Q26-N65 WeakPolarHBondContact O-CB 3.15Å
27	C	94.6	Very high	87.9	Confident	4 Å²	4	81.2 Å²	81.2	3%	0.027	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-23.4	179.5	-59.6	0	0	0	0	111.7	R24 E25 Y45 N65 C77	R24-C27 WeakPolarHBondContact O-CB 3.5Å; R24-C27 PolarHBondContact O-N 3.49Å; E25-C27 PolarHBondContact O-N 3.31Å; C27-Y45 HydrophobicContact CB-CD1 3.96Å; C27-Y45 HydrophobicContact CB-CG 4.44Å; C27-Y45 WeakPolarHBondContact O-CD1 3.27Å; C27-N65 PolarHBondContact O-ND2 2.78Å; C27-C77 HydrophobicContact CB-CB 3.58Å; C27-C77 WeakPolarHBondContact CB-SG 3.35Å; C27-C77 WeakPolarHBondContact SG-CA 3.16Å; C27-C77 WeakPolarHBondContact SG-CB 3.08Å; C27-C77 CovalentContact SG-SG 2.03Å; C27-C77 PolarHBondContact SG-SG 2.83Å
28	L	92.6	Very high	88.5	Confident	103 Å²	103	78.5 Å²	78.5	54%	0.539	43%	0.432	S	S	.	.	H	α-helix	trans	-91.9	-7	-176.9	-55.7	179.1	0	0	0	113	E25 Q26 K47	E25-L28 WeakPolarHBondContact O-CB 3.01Å; E25-L28 PolarHBondContact O-N 3.3Å; Q26-L28 PolarHBondContact O-N 3.04Å; L28-K47 HydrophobicContact CD2-CB 4.5Å; L28-K47 HydrophobicContact CD2-CD 3.89Å; L28-K47 HydrophobicContact CD2-CG 4.15Å
29	Q	93.4	Very high	89.1	Confident	59 Å²	59	79.5 Å²	79.5	28%	0.276	43%	0.434	S	S	.	.	S	Bend	trans	-70.2	145.7	175.7	-62.7	-174.2	-49.1	0	0	110.7	E25 Q26 D63 N65	E25-Q29 PolarHBondContact O-N 3.44Å; Q26-Q29 PolarHBondContact O-N 3.34Å; Q29-D63 HydrophobicContact CB-CB 4.37Å; Q29-N65 HydrophobicContact CB-CB 4.27Å; Q29-N65 WeakPolarHBondContact O-CB 3.08Å; Q29-N65 PolarHBondContact O-ND2 3.19Å
30	P	94.3	Very high	90	Very high	89 Å²	89	78.1 Å²	78.1	58%	0.578	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-63.2	145.4	172.4	27.2	-33.4	0	0	0	110.7	Q32	P30-Q32 PolarHBondContact O-N 3Å
31	P	94.7	Very high	91.1	Very high	53 Å²	53	77.1 Å²	77.1	34%	0.344	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-63.3	136	173.8	27.1	-34	0	0	0	110.4	Y44 F55	P31-Y44 HydrophobicContact CB-CD1 3.85Å; P31-Y44 HydrophobicContact CB-CD2 3.81Å; P31-Y44 HydrophobicContact CB-CE1 4.35Å; P31-Y44 HydrophobicContact CB-CE2 4.33Å; P31-Y44 HydrophobicContact CB-CG 3.55Å; P31-Y44 HydrophobicContact CG-CD1 4.1Å; P31-Y44 HydrophobicContact CG-CD2 3.66Å; P31-Y44 HydrophobicContact CG-CE1 4.12Å; P31-Y44 HydrophobicContact CG-CE2 3.71Å; P31-Y44 HydrophobicContact CG-CG 3.88Å; P31-F55 HydrophobicContact CB-CD2 4.3Å; P31-F55 HydrophobicContact CB-CE2 4.27Å; P31-F55 HydrophobicContact CB-CZ 4.5Å
32	Q	96	Very high	92.2	Very high	68 Å²	68	76.7 Å²	76.7	32%	0.318	40%	0.402	S	S	.	.			trans	-112.3	120	176.8	-67.2	-164.8	10.3	0	0	111.1	P30 G34 F55 N61 D63	P30-Q32 PolarHBondContact O-N 3Å; Q32-G34 PolarHBondContact O-N 2.91Å; Q32-F55 WeakPolarHBondContact O-CE2 3.44Å; Q32-N61 PolarHBondContact OE1-O 3.36Å; Q32-D63 VanDerWaalsContact CD-CG 3.44Å; Q32-D63 HydrophobicContact CG-CB 4.1Å; Q32-D63 PolarHBondContact NE2-OD1 3.19Å; Q32-D63 VanDerWaalsContact NE2-OD1 3.1Å; Q32-D63 PolarHBondContact NE2-OD2 3.42Å
33	I	96.1	Very high	93.4	Very high	103 Å²	103	77 Å²	77	53%	0.528	40%	0.4	S	S	.	.			trans	-59.2	-31.3	172.5	-63	172.9	0	0	0	110.5	Y57 K58	I33-Y57 VanDerWaalsContact O-CD2 3.22Å; I33-Y57 WeakPolarHBondContact O-CD2 3.46Å; I33-K58 HydrophobicContact CG2-CD 3.93Å; I33-K58 HydrophobicContact CG2-CG 3.8Å; I33-K58 WeakPolarHBondContact O-CB 3.33Å; I33-K58 PolarHBondContact O-N 3.39Å
34	G	95.1	Very high	94.5	Very high	25 Å²	25	75.4 Å²	75.4	26%	0.258	39%	0.389	S	S	.	.			trans	74.2	-159.5	178.7	0	0	0	0	0	113.8	Q32 R60 N61	Q32-G34 PolarHBondContact O-N 2.91Å; G34-R60 CarbonylContact C-O 3.51Å; G34-R60 WeakPolarHBondContact CA-O 3.4Å; G34-N61 WeakPolarHBondContact CA-O 3.37Å
35	K	95.7	Very high	95.4	Very high	138 Å²	138	68.8 Å²	68.8	60%	0.6	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-123.3	159.3	-178.3	-60.9	-173.4	-177	-178.5	0	111.5	K58 R60	K35-K58 VanDerWaalsContact C-CB 3.43Å; K35-K58 CarbonylContact O-C 3.36Å; K35-K58 WeakPolarHBondContact O-CB 3.28Å; K35-R60 PolarHBondContact N-O 3.38Å; K35-R60 WeakPolarHBondContact O-CB 3.47Å; K35-R60 PolarHBondContact O-N 2.77Å
36	G	95.9	Very high	95.8	Very high	12 Å²	12	63.3 Å²	63.3	12%	0.124	34%	0.339	C	S	.	.	S	Bend	trans	112.3	-173.7	-177.4	0	0	0	0	0	113.2	K58	G36-K58 CarbonylContact C-O 3.55Å; G36-K58 VanDerWaalsContact O-CD 3.3Å; G36-K58 WeakPolarHBondContact O-CD 3.33Å
37	D	96.1	Very high	95.9	Very high	168 Å²	168	69.4 Å²	69.4	90%	0.898	37%	0.365	S	S	*	.	S	Bend	trans	-119.6	7.4	-169	-48.1	-41.5	0	0	0	112
38	S	96.9	Very high	95.8	Very high	62 Å²	62	74.1 Å²	74.1	43%	0.434	40%	0.398	S	S	.	.			trans	-79.6	155.7	174.2	-53.2	0	0	0	0	110.9	K58	S38-K58 WeakPolarHBondContact CB-O 2.95Å; S38-K58 PolarHBondContact N-O 2.94Å; S38-K58 WeakPolarHBondContact O-CA 3.3Å
39	N	96	Very high	95.9	Very high	114 Å²	114	74.7 Å²	74.7	61%	0.61	40%	0.396	S	S	*	.			trans	-120.8	73.6	170.3	-162.6	20.7	0	0	0	109.9	F56	N39-F56 WeakPolarHBondContact OD1-CB 3.33Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.3Å; N39-F56 WeakPolarHBondContact OD1-CG 3.11Å
40	L	97.6	Very high	95.9	Very high	69 Å²	69	74.5 Å²	74.5	36%	0.361	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.2	-174.3	-56.1	179.2	0	0	0	110.7	R42 Y57	L40-R42 PolarHBondContact O-N 2.94Å; L40-Y57 HydrophobicContact CB-CD1 4.45Å; L40-Y57 WeakPolarHBondContact CB-O 3Å; L40-Y57 HydrophobicContact CD1-CD1 4.1Å; L40-Y57 PolarHBondContact N-O 3.44Å; L40-Y57 PolarHBondContact O-N 3.24Å
41	T	97.9	Very high	96	Very high	67 Å²	67	75.7 Å²	75.7	41%	0.411	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.4	169.1	-58	0	0	0	0	110.4	Q54	T41-Q54 HydrophobicContact CG2-CG 3.48Å; T41-Q54 VanDerWaalsContact CG2-CG 3.48Å
42	R	97.9	Very high	96.2	Very high	60 Å²	60	73.5 Å²	73.5	23%	0.226	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	170	177.2	-66.3	-64.1	-173.2	104.7	-3.2	110.3	L40 Q54 F55 Y57 N66 F67	L40-R42 PolarHBondContact O-N 2.94Å; R42-Q54 CarbonylContact O-C 3.47Å; R42-Q54 VanDerWaalsContact O-CA 3.28Å; R42-Q54 WeakPolarHBondContact O-CA 3.42Å; R42-F55 HydrophobicContact CB-CD1 3.94Å; R42-F55 HydrophobicContact CB-CE1 3.42Å; R42-F55 VanDerWaalsContact CB-CE1 3.42Å; R42-F55 HydrophobicContact CB-CZ 3.91Å; R42-F55 PolarHBondContact N-O 2.97Å; R42-F55 WeakPolarHBondContact O-CD1 3.28Å; R42-F55 PolarHBondContact O-N 3.3Å; R42-Y57 HydrophobicContact CG-CD1 4.03Å; R42-Y57 HydrophobicContact CG-CG 4.22Å; R42-N66 WeakPolarHBondContact CB-OD1 3.36Å; R42-N66 WeakPolarHBondContact CD-OD1 3.25Å; R42-N66 WeakPolarHBondContact CG-OD1 3.44Å; R42-N66 PolarHBondContact NH1-OD1 3.03Å; R42-F67 CarbonylContact C-O 3.57Å; R42-F67 WeakPolarHBondContact CA-O 3.4Å; R42-F67 WeakPolarHBondContact CD-O 3.39Å
43	F	98.3	Very high	96.3	Very high	32 Å²	32	72.4 Å²	72.4	14%	0.14	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139	177.5	-62.9	-93.3	0	0	0	109.8	I53 Q54 F67 T69 K70 C73	F43-I53 CarbonylContact C-O 3.57Å; F43-I53 VanDerWaalsContact CA-O 3.27Å; F43-I53 WeakPolarHBondContact CA-O 3.45Å; F43-Q54 HydrophobicContact CD1-CB 4.2Å; F43-Q54 HydrophobicContact CE1-CB 3.9Å; F43-Q54 HydrophobicContact CE1-CG 4.38Å; F43-F67 HydrophobicContact CB-CB 4.42Å; F43-F67 PolarHBondContact N-O 3.44Å; F43-F67 WeakPolarHBondContact O-CD2 2.97Å; F43-F67 PolarHBondContact O-N 2.83Å; F43-T69 VanDerWaalsContact CD2-C 3.41Å; F43-K70 HydrophobicContact CD1-CB 3.79Å; F43-K70 HydrophobicContact CD1-CG 4.07Å; F43-K70 HydrophobicContact CD2-CB 4.45Å; F43-K70 VanDerWaalsContact CD2-N 3.31Å; F43-K70 HydrophobicContact CE1-CB 3.68Å; F43-K70 HydrophobicContact CE1-CD 4.22Å; F43-K70 HydrophobicContact CE1-CG 4.12Å; F43-K70 HydrophobicContact CE2-CB 4.37Å; F43-K70 HydrophobicContact CG-CB 4.19Å; F43-K70 HydrophobicContact CZ-CB 3.99Å; F43-C73 HydrophobicContact CB-CB 4.09Å
44	Y	97.5	Very high	96.4	Very high	41 Å²	41	72.7 Å²	72.7	16%	0.161	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	170.9	80.2	-84	0	0	0	109.1	P31 D46 C52 I53 F55 N65	P31-Y44 HydrophobicContact CB-CD1 3.85Å; P31-Y44 HydrophobicContact CB-CD2 3.81Å; P31-Y44 HydrophobicContact CB-CE1 4.35Å; P31-Y44 HydrophobicContact CB-CE2 4.33Å; P31-Y44 HydrophobicContact CB-CG 3.55Å; P31-Y44 HydrophobicContact CG-CD1 4.1Å; P31-Y44 HydrophobicContact CG-CD2 3.66Å; P31-Y44 HydrophobicContact CG-CE1 4.12Å; P31-Y44 HydrophobicContact CG-CE2 3.71Å; P31-Y44 HydrophobicContact CG-CG 3.88Å; Y44-D46 HydrophobicContact CE2-CB 3.86Å; Y44-C52 CarbonylContact O-C 3.55Å; Y44-C52 VanDerWaalsContact O-CA 3.31Å; Y44-C52 WeakPolarHBondContact O-CA 3.21Å; Y44-I53 HydrophobicContact CD1-CB 4.26Å; Y44-I53 WeakPolarHBondContact CD1-O 3.45Å; Y44-I53 HydrophobicContact CE1-CB 3.72Å; Y44-I53 HydrophobicContact CE1-CG2 3.98Å; Y44-I53 PolarHBondContact N-O 3.46Å; Y44-I53 PolarHBondContact O-N 2.89Å; Y44-F55 HydrophobicContact CD1-CB 4.01Å; Y44-F55 AromaticContact CD1-CD1 3.71Å; Y44-F55 HydrophobicContact CD1-CD1 3.71Å; Y44-F55 HydrophobicContact CD1-CE1 4.4Å; Y44-F55 AromaticContact CD1-CG 3.98Å; Y44-F55 HydrophobicContact CD1-CG 3.98Å; Y44-F55 HydrophobicContact CE1-CB 4.24Å; Y44-F55 HydrophobicContact CG-CD1 4.36Å; Y44-N65 WeakPolarHBondContact CA-OD1 3.33Å; Y44-N65 VanDerWaalsContact CB-O 3.27Å; Y44-N65 WeakPolarHBondContact CB-O 3.35Å
45	Y	97.4	Very high	96.5	Very high	22 Å²	22	72.6 Å²	72.6	9%	0.086	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.3	173.7	176.1	-106.4	0	0	0	110.3	C27 K47 N50 N65 C77 V78	C27-Y45 HydrophobicContact CB-CD1 3.96Å; C27-Y45 HydrophobicContact CB-CG 4.44Å; C27-Y45 WeakPolarHBondContact O-CD1 3.27Å; Y45-K47 HydrophobicContact CD1-CB 4.5Å; Y45-K47 HydrophobicContact CE1-CB 3.91Å; Y45-K47 HydrophobicContact CE1-CG 4.31Å; Y45-N50 PolarHBondContact OH-OD1 3.28Å; Y45-N65 PolarHBondContact N-OD1 3.25Å; Y45-N65 PolarHBondContact O-ND2 2.92Å; Y45-C77 HydrophobicContact CD1-CB 4.09Å; Y45-C77 HydrophobicContact CD2-CB 3.67Å; Y45-C77 HydrophobicContact CE2-CB 4.39Å; Y45-C77 HydrophobicContact CG-CB 3.49Å; Y45-C77 VanDerWaalsContact CG-CB 3.49Å; Y45-V78 HydrophobicContact CD2-CG2 3.91Å; Y45-V78 HydrophobicContact CE2-CG2 3.86Å
46	D	96.3	Very high	96.5	Very high	20 Å²	20	71.4 Å²	71.4	11%	0.107	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.7	169.9	-174.7	-26.7	0	0	0	109	Y44 S48 K49 N50 Q51 I53	Y44-D46 HydrophobicContact CE2-CB 3.86Å; D46-S48 VanDerWaalsContact C-N 3.25Å; D46-S48 PolarHBondContact O-N 3.44Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.26Å; D46-S48 PolarHBondContact OD1-OG 2.91Å; D46-K49 HydrophobicContact CB-CB 4.42Å; D46-K49 PolarHBondContact O-N 3.26Å; D46-K49 PolarHBondContact OD1-N 3.33Å; D46-K49 IonicContact OD2-NZ 2.75Å; D46-K49 PolarHBondContact OD2-NZ 3.45Å; D46-N50 WeakPolarHBondContact O-CA 3.44Å; D46-N50 PolarHBondContact O-N 2.92Å; D46-Q51 PolarHBondContact N-O 3.45Å; D46-Q51 PolarHBondContact O-N 2.85Å; D46-I53 HydrophobicContact CB-CD1 3.44Å; D46-I53 VanDerWaalsContact CB-CD1 3.44Å; D46-I53 HydrophobicContact CB-CG1 3.95Å; D46-I53 VanDerWaalsContact OD2-CD1 3.28Å; D46-I53 WeakPolarHBondContact OD2-CD1 3.37Å
47	K	93.5	Very high	96.6	Very high	148 Å²	148	71.8 Å²	71.8	64%	0.643	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-34.9	179	-172	-164.8	-175.2	178.7	0	112.8	L28 Y45 K49 N50	L28-K47 HydrophobicContact CD2-CB 4.5Å; L28-K47 HydrophobicContact CD2-CD 3.89Å; L28-K47 HydrophobicContact CD2-CG 4.15Å; Y45-K47 HydrophobicContact CD1-CB 4.5Å; Y45-K47 HydrophobicContact CE1-CB 3.91Å; Y45-K47 HydrophobicContact CE1-CG 4.31Å; K47-K49 VanDerWaalsContact C-N 3.3Å; K47-K49 PolarHBondContact O-N 2.9Å; K47-N50 PolarHBondContact O-N 3.32Å
48	S	93.7	Very high	96.7	Very high	103 Å²	103	68.3 Å²	68.3	72%	0.72	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-35.1	-177.4	73.8	0	0	0	0	111.5	D46	D46-S48 VanDerWaalsContact C-N 3.25Å; D46-S48 PolarHBondContact O-N 3.44Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.26Å; D46-S48 PolarHBondContact OD1-OG 2.91Å
49	K	94.6	Very high	96.6	Very high	115 Å²	115	66.7 Å²	66.7	50%	0.5	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.8	178.5	-54.5	-163	-166.5	88.5	0	113.2	D46 K47 Q51 I53	D46-K49 HydrophobicContact CB-CB 4.42Å; D46-K49 PolarHBondContact O-N 3.26Å; D46-K49 PolarHBondContact OD1-N 3.33Å; D46-K49 IonicContact OD2-NZ 2.75Å; D46-K49 PolarHBondContact OD2-NZ 3.45Å; K47-K49 VanDerWaalsContact C-N 3.3Å; K47-K49 PolarHBondContact O-N 2.9Å; K49-Q51 HydrophobicContact CB-CB 4.12Å; K49-Q51 HydrophobicContact CB-CG 4.46Å; K49-Q51 WeakPolarHBondContact O-CG 3.29Å; K49-Q51 PolarHBondContact O-N 2.85Å; K49-I53 HydrophobicContact CD-CD1 3.93Å
50	N	93.4	Very high	96.6	Very high	55 Å²	55	68.8 Å²	68.8	29%	0.294	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	44	-169.4	-171.9	41.7	0	0	0	111.6	Y45 D46 K47	Y45-N50 PolarHBondContact OH-OD1 3.28Å; D46-N50 WeakPolarHBondContact O-CA 3.44Å; D46-N50 PolarHBondContact O-N 2.92Å; K47-N50 PolarHBondContact O-N 3.32Å
51	Q	96.3	Very high	96.3	Very high	114 Å²	114	70.5 Å²	70.5	53%	0.533	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.9	-172.1	-77.6	177.4	-7.9	0	0	111.6	D46 K49	D46-Q51 PolarHBondContact N-O 3.45Å; D46-Q51 PolarHBondContact O-N 2.85Å; K49-Q51 HydrophobicContact CB-CB 4.12Å; K49-Q51 HydrophobicContact CB-CG 4.46Å; K49-Q51 WeakPolarHBondContact O-CG 3.29Å; K49-Q51 PolarHBondContact O-N 2.85Å
52	C	97.8	Very high	95.8	Very high	7 Å²	7	68.8 Å²	68.8	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.3	171	-71.2	0	0	0	0	110.9	Y44 K70 C73 E74	Y44-C52 CarbonylContact O-C 3.55Å; Y44-C52 VanDerWaalsContact O-CA 3.31Å; Y44-C52 WeakPolarHBondContact O-CA 3.21Å; C52-K70 HydrophobicContact CB-CG 4.28Å; C52-C73 HydrophobicContact CB-CB 3.64Å; C52-C73 WeakPolarHBondContact CB-SG 3.31Å; C52-C73 WeakPolarHBondContact SG-CB 3.26Å; C52-C73 CovalentContact SG-SG 2.03Å; C52-C73 PolarHBondContact SG-SG 3.27Å; C52-E74 HydrophobicContact CB-CG 4.02Å; C52-E74 PolarHBondContact SG-N 2.97Å
53	I	98	Very high	95.3	Very high	45 Å²	45	68.4 Å²	68.4	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139	-173.4	-54.6	-175.1	0	0	0	109.5	F43 Y44 D46 K49	F43-I53 CarbonylContact C-O 3.57Å; F43-I53 VanDerWaalsContact CA-O 3.27Å; F43-I53 WeakPolarHBondContact CA-O 3.45Å; Y44-I53 HydrophobicContact CD1-CB 4.26Å; Y44-I53 WeakPolarHBondContact CD1-O 3.45Å; Y44-I53 HydrophobicContact CE1-CB 3.72Å; Y44-I53 HydrophobicContact CE1-CG2 3.98Å; Y44-I53 PolarHBondContact N-O 3.46Å; Y44-I53 PolarHBondContact O-N 2.89Å; D46-I53 HydrophobicContact CB-CD1 3.44Å; D46-I53 VanDerWaalsContact CB-CD1 3.44Å; D46-I53 HydrophobicContact CB-CG1 3.95Å; D46-I53 VanDerWaalsContact OD2-CD1 3.28Å; D46-I53 WeakPolarHBondContact OD2-CD1 3.37Å; K49-I53 HydrophobicContact CD-CD1 3.93Å
54	Q	98.2	Very high	95	Very high	109 Å²	109	73.6 Å²	73.6	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.2	175.9	-174.1	176.4	-52	0	0	111.3	T41 R42 F43	T41-Q54 HydrophobicContact CG2-CG 3.48Å; T41-Q54 VanDerWaalsContact CG2-CG 3.48Å; R42-Q54 CarbonylContact O-C 3.47Å; R42-Q54 VanDerWaalsContact O-CA 3.28Å; R42-Q54 WeakPolarHBondContact O-CA 3.42Å; F43-Q54 HydrophobicContact CD1-CB 4.2Å; F43-Q54 HydrophobicContact CE1-CB 3.9Å; F43-Q54 HydrophobicContact CE1-CG 4.38Å
55	F	97.1	Very high	94.9	Very high	23 Å²	23	71.7 Å²	71.7	10%	0.101	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	167.8	172.2	80.2	-68.3	0	0	0	111.5	P31 Q32 R42 Y44 N66	P31-F55 HydrophobicContact CB-CD2 4.3Å; P31-F55 HydrophobicContact CB-CE2 4.27Å; P31-F55 HydrophobicContact CB-CZ 4.5Å; Q32-F55 WeakPolarHBondContact O-CE2 3.44Å; R42-F55 HydrophobicContact CB-CD1 3.94Å; R42-F55 HydrophobicContact CB-CE1 3.42Å; R42-F55 VanDerWaalsContact CB-CE1 3.42Å; R42-F55 HydrophobicContact CB-CZ 3.91Å; R42-F55 PolarHBondContact N-O 2.97Å; R42-F55 WeakPolarHBondContact O-CD1 3.28Å; R42-F55 PolarHBondContact O-N 3.3Å; Y44-F55 HydrophobicContact CD1-CB 4.01Å; Y44-F55 AromaticContact CD1-CD1 3.71Å; Y44-F55 HydrophobicContact CD1-CD1 3.71Å; Y44-F55 HydrophobicContact CD1-CE1 4.4Å; Y44-F55 AromaticContact CD1-CG 3.98Å; Y44-F55 HydrophobicContact CD1-CG 3.98Å; Y44-F55 HydrophobicContact CE1-CB 4.24Å; Y44-F55 HydrophobicContact CG-CD1 4.36Å; F55-N66 HydrophobicContact CE1-CB 4.49Å; F55-N66 HydrophobicContact CZ-CB 4.06Å
56	F	96.9	Very high	94.9	Very high	113 Å²	113	71.7 Å²	71.7	50%	0.496	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	177.2	-66.4	-65.8	0	0	0	111.7	N39	N39-F56 WeakPolarHBondContact OD1-CB 3.33Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.3Å; N39-F56 WeakPolarHBondContact OD1-CG 3.11Å
57	Y	97.7	Very high	95	Very high	21 Å²	21	71.5 Å²	71.5	8%	0.082	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.6	178.9	172.6	-126.6	0	0	0	111.3	I33 L40 R42 G59 R60 N66	I33-Y57 VanDerWaalsContact O-CD2 3.22Å; I33-Y57 WeakPolarHBondContact O-CD2 3.46Å; L40-Y57 HydrophobicContact CB-CD1 4.45Å; L40-Y57 WeakPolarHBondContact CB-O 3Å; L40-Y57 HydrophobicContact CD1-CD1 4.1Å; L40-Y57 PolarHBondContact N-O 3.44Å; L40-Y57 PolarHBondContact O-N 3.24Å; R42-Y57 HydrophobicContact CG-CD1 4.03Å; R42-Y57 HydrophobicContact CG-CG 4.22Å; Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 WeakPolarHBondContact CE1-O 3.38Å; Y57-G59 PolarHBondContact O-N 3.11Å; Y57-G59 PolarHBondContact OH-O 3.41Å; Y57-R60 WeakPolarHBondContact CE2-O 3.47Å; Y57-R60 VanDerWaalsContact CZ-N 3.32Å; Y57-R60 WeakPolarHBondContact OH-CA 3.15Å; Y57-R60 PolarHBondContact OH-N 2.87Å; Y57-N66 WeakPolarHBondContact CD2-ND2 3.27Å; Y57-N66 VanDerWaalsContact CG-ND2 3.31Å
58	K	97.7	Very high	95.1	Very high	95 Å²	95	74.5 Å²	74.5	41%	0.413	35%	0.352	S	S	.	.			trans	-77.2	-6.2	-176.7	-76.5	-174.9	163.1	-153	0	115.5	I33 K35 G36 S38	I33-K58 HydrophobicContact CG2-CD 3.93Å; I33-K58 HydrophobicContact CG2-CG 3.8Å; I33-K58 WeakPolarHBondContact O-CB 3.33Å; I33-K58 PolarHBondContact O-N 3.39Å; K35-K58 VanDerWaalsContact C-CB 3.43Å; K35-K58 CarbonylContact O-C 3.36Å; K35-K58 WeakPolarHBondContact O-CB 3.28Å; G36-K58 CarbonylContact C-O 3.55Å; G36-K58 VanDerWaalsContact O-CD 3.3Å; G36-K58 WeakPolarHBondContact O-CD 3.33Å; S38-K58 WeakPolarHBondContact CB-O 2.95Å; S38-K58 PolarHBondContact N-O 2.94Å; S38-K58 WeakPolarHBondContact O-CA 3.3Å
59	G	95.2	Very high	95.3	Very high	27 Å²	27	72.8 Å²	72.8	28%	0.278	34%	0.337	S	S	.	.	S	Bend	trans	105.8	-22.4	171.8	0	0	0	0	0	115.1	Y57	Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 WeakPolarHBondContact CE1-O 3.38Å; Y57-G59 PolarHBondContact O-N 3.11Å; Y57-G59 PolarHBondContact OH-O 3.41Å
60	R	96	Very high	95.5	Very high	158 Å²	158	72.1 Å²	72.1	60%	0.596	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-131.4	159	177	-61.2	179.6	-69.2	-174	-3.1	113	G34 K35 Y57 S62	G34-R60 CarbonylContact C-O 3.51Å; G34-R60 WeakPolarHBondContact CA-O 3.4Å; K35-R60 PolarHBondContact N-O 3.38Å; K35-R60 WeakPolarHBondContact O-CB 3.47Å; K35-R60 PolarHBondContact O-N 2.77Å; Y57-R60 WeakPolarHBondContact CE2-O 3.47Å; Y57-R60 VanDerWaalsContact CZ-N 3.32Å; Y57-R60 WeakPolarHBondContact OH-CA 3.15Å; Y57-R60 PolarHBondContact OH-N 2.87Å; R60-S62 PolarHBondContact O-N 2.79Å
61	N	90.5	Very high	95.6	Very high	106 Å²	106	75.7 Å²	75.7	57%	0.567	35%	0.352	S	S	*	.	S	Bend	trans	53.3	50.1	172.5	-57.6	-2.8	0	0	0	113.4	Q32 G34	Q32-N61 PolarHBondContact OE1-O 3.36Å; G34-N61 WeakPolarHBondContact CA-O 3.37Å
62	S	87	Confident	95.6	Very high	31 Å²	31	71.7 Å²	71.7	22%	0.217	34%	0.338	C	S	.	.			trans	-97.2	146.7	163.8	170.6	0	0	0	0	110	R60 N66	R60-S62 PolarHBondContact O-N 2.79Å; S62-N66 VanDerWaalsContact CB-ND2 3.27Å; S62-N66 WeakPolarHBondContact CB-ND2 3.41Å; S62-N66 WeakPolarHBondContact OG-CB 3.33Å; S62-N66 PolarHBondContact OG-ND2 3.21Å
63	D	87.7	Confident	95.6	Very high	51 Å²	51	71.3 Å²	71.3	27%	0.273	34%	0.336	S	S	.	.			trans	-61.2	175.8	160.1	-83.4	-6.7	0	0	0	112	Q29 Q32 N65	Q29-D63 HydrophobicContact CB-CB 4.37Å; Q32-D63 VanDerWaalsContact CD-CG 3.44Å; Q32-D63 HydrophobicContact CG-CB 4.1Å; Q32-D63 PolarHBondContact NE2-OD1 3.19Å; Q32-D63 VanDerWaalsContact NE2-OD1 3.1Å; Q32-D63 PolarHBondContact NE2-OD2 3.42Å; D63-N65 VanDerWaalsContact C-N 3.3Å; D63-N65 PolarHBondContact O-N 3.34Å
64	R	92.7	Very high	95.5	Very high	141 Å²	141	72.6 Å²	72.6	53%	0.532	34%	0.34	S	S	.	.	S	Bend	trans	-77.1	-12.6	-174.9	-64.8	-171	-127.6	167.4	0.5	113.8	Q26 N66	Q26-R64 HydrophobicContact CB-CB 3.32Å; Q26-R64 HydrophobicContact CB-CG 4.33Å; Q26-R64 HydrophobicContact CG-CB 4.31Å; R64-N66 PolarHBondContact O-N 3.45Å
65	N	96.2	Very high	95.2	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.011	35%	0.352	C	S	.	.			trans	-74.2	57.3	170.3	-157.9	3.1	0	0	0	111.8	Q26 C27 Q29 Y44 Y45 D63	Q26-N65 VanDerWaalsContact O-CB 3.25Å; Q26-N65 WeakPolarHBondContact O-CB 3.15Å; C27-N65 PolarHBondContact O-ND2 2.78Å; Q29-N65 HydrophobicContact CB-CB 4.27Å; Q29-N65 WeakPolarHBondContact O-CB 3.08Å; Q29-N65 PolarHBondContact O-ND2 3.19Å; Y44-N65 WeakPolarHBondContact CA-OD1 3.33Å; Y44-N65 VanDerWaalsContact CB-O 3.27Å; Y44-N65 WeakPolarHBondContact CB-O 3.35Å; Y45-N65 PolarHBondContact N-OD1 3.25Å; Y45-N65 PolarHBondContact O-ND2 2.92Å; D63-N65 VanDerWaalsContact C-N 3.3Å; D63-N65 PolarHBondContact O-N 3.34Å
66	N	97.1	Very high	95	Very high	21 Å²	21	80.7 Å²	80.7	11%	0.112	37%	0.367	C	S	.	.			trans	-153.4	101.2	-173.8	-178.1	-30.9	0	0	0	110	R42 F55 Y57 S62 R64	R42-N66 WeakPolarHBondContact CB-OD1 3.36Å; R42-N66 WeakPolarHBondContact CD-OD1 3.25Å; R42-N66 WeakPolarHBondContact CG-OD1 3.44Å; R42-N66 PolarHBondContact NH1-OD1 3.03Å; F55-N66 HydrophobicContact CE1-CB 4.49Å; F55-N66 HydrophobicContact CZ-CB 4.06Å; Y57-N66 WeakPolarHBondContact CD2-ND2 3.27Å; Y57-N66 VanDerWaalsContact CG-ND2 3.31Å; S62-N66 VanDerWaalsContact CB-ND2 3.27Å; S62-N66 WeakPolarHBondContact CB-ND2 3.41Å; S62-N66 WeakPolarHBondContact OG-CB 3.33Å; S62-N66 PolarHBondContact OG-ND2 3.21Å; R64-N66 PolarHBondContact O-N 3.45Å
67	F	96.8	Very high	94.9	Very high	17 Å²	17	75.7 Å²	75.7	8%	0.075	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-111.6	144.4	-175.7	-57.1	-86.8	0	0	0	110.9	R42 F43 T69 C73 Y76 C77	R42-F67 CarbonylContact C-O 3.57Å; R42-F67 WeakPolarHBondContact CA-O 3.4Å; R42-F67 WeakPolarHBondContact CD-O 3.39Å; F43-F67 HydrophobicContact CB-CB 4.42Å; F43-F67 PolarHBondContact N-O 3.44Å; F43-F67 WeakPolarHBondContact O-CD2 2.97Å; F43-F67 PolarHBondContact O-N 2.83Å; F67-T69 VanDerWaalsContact C-N 3.34Å; F67-C73 HydrophobicContact CB-CB 3.76Å; F67-C73 HydrophobicContact CD1-CB 4.42Å; F67-C73 HydrophobicContact CD2-CB 3.45Å; F67-C73 VanDerWaalsContact CD2-CB 3.45Å; F67-C73 HydrophobicContact CE2-CB 4.17Å; F67-C73 HydrophobicContact CG-CB 3.61Å; F67-Y76 HydrophobicContact CD1-CD2 4.01Å; F67-Y76 AromaticContact CE1-CD2 3.58Å; F67-Y76 HydrophobicContact CE1-CD2 3.58Å; F67-Y76 HydrophobicContact CE1-CE2 4.43Å; F67-Y76 AromaticContact CE1-CG 3.97Å; F67-Y76 HydrophobicContact CE1-CG 3.97Å; F67-C77 WeakPolarHBondContact CZ-SG 3.5Å
68	R	96.6	Very high	94.7	Very high	211 Å²	211	76.7 Å²	76.7	80%	0.796	35%	0.353	S	S	*	.	S	Bend	trans	-71	-28.8	178.2	-171.3	176.4	178.1	179.2	-0.5	112.9
69	T	98	Very high	94	Very high	67 Å²	67	75.3 Å²	75.3	41%	0.411	35%	0.353	S	S	.	.	S	Bend	trans	-133.7	151	-178.6	67.6	0	0	0	0	110.9	F43 F67 I71 A72 C73	F43-T69 VanDerWaalsContact CD2-C 3.41Å; F67-T69 VanDerWaalsContact C-N 3.34Å; T69-I71 VanDerWaalsContact C-N 3.3Å; T69-I71 PolarHBondContact O-N 2.78Å; T69-A72 PolarHBondContact O-N 2.83Å; T69-A72 VanDerWaalsContact OG1-CB 3.3Å; T69-A72 WeakPolarHBondContact OG1-CB 3.27Å; T69-A72 PolarHBondContact OG1-N 3.25Å; T69-C73 PolarHBondContact O-N 2.89Å
70	K	98	Very high	93.2	Very high	100 Å²	100	83 Å²	83	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-44	174.7	-168.3	172	-173.9	-88	0	111.5	F43 C52 A72 C73 E74	F43-K70 HydrophobicContact CD1-CB 3.79Å; F43-K70 HydrophobicContact CD1-CG 4.07Å; F43-K70 HydrophobicContact CD2-CB 4.45Å; F43-K70 VanDerWaalsContact CD2-N 3.31Å; F43-K70 HydrophobicContact CE1-CB 3.68Å; F43-K70 HydrophobicContact CE1-CD 4.22Å; F43-K70 HydrophobicContact CE1-CG 4.12Å; F43-K70 HydrophobicContact CE2-CB 4.37Å; F43-K70 HydrophobicContact CG-CB 4.19Å; F43-K70 HydrophobicContact CZ-CB 3.99Å; C52-K70 HydrophobicContact CB-CG 4.28Å; K70-A72 PolarHBondContact O-N 3.44Å; K70-C73 WeakPolarHBondContact O-CB 3.22Å; K70-C73 PolarHBondContact O-N 3.41Å; K70-E74 WeakPolarHBondContact CE-OE1 3.45Å; K70-E74 HydrophobicContact CG-CG 4.39Å; K70-E74 IonicContact NZ-OE1 2.68Å; K70-E74 PolarHBondContact NZ-OE1 2.9Å; K70-E74 WeakPolarHBondContact O-CG 3.3Å; K70-E74 PolarHBondContact O-N 2.97Å
71	I	97.2	Very high	92.2	Very high	131 Å²	131	84.5 Å²	84.5	67%	0.672	39%	0.39	S	S	*	.	H	α-helix	trans	-59.5	-44.7	179.7	-62.1	173.4	0	0	0	111.3	T69 E74 W75	T69-I71 VanDerWaalsContact C-N 3.3Å; T69-I71 PolarHBondContact O-N 2.78Å; I71-E74 PolarHBondContact O-N 3.42Å; I71-W75 WeakPolarHBondContact O-CB 3.44Å; I71-W75 PolarHBondContact O-N 2.8Å
72	A	96	Very high	91.3	Very high	29 Å²	29	91.3 Å²	91.3	24%	0.24	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-48	177.4	0	0	0	0	0	110.7	T69 K70 E74 W75 Y76	T69-A72 PolarHBondContact O-N 2.83Å; T69-A72 VanDerWaalsContact OG1-CB 3.3Å; T69-A72 WeakPolarHBondContact OG1-CB 3.27Å; T69-A72 PolarHBondContact OG1-N 3.25Å; K70-A72 PolarHBondContact O-N 3.44Å; A72-E74 VanDerWaalsContact C-N 3.33Å; A72-E74 PolarHBondContact O-N 2.88Å; A72-W75 PolarHBondContact O-N 3.35Å; A72-Y76 WeakPolarHBondContact O-CD2 3.46Å; A72-Y76 PolarHBondContact O-N 2.83Å
73	C	96.8	Very high	90	Very high	0 Å²	0	102.9 Å²	102.9	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-56.4	-47.4	176.2	177.7	0	0	0	0	112	F43 C52 F67 T69 K70 W75 Y76 C77	F43-C73 HydrophobicContact CB-CB 4.09Å; C52-C73 HydrophobicContact CB-CB 3.64Å; C52-C73 WeakPolarHBondContact CB-SG 3.31Å; C52-C73 WeakPolarHBondContact SG-CB 3.26Å; C52-C73 CovalentContact SG-SG 2.03Å; C52-C73 PolarHBondContact SG-SG 3.27Å; F67-C73 HydrophobicContact CB-CB 3.76Å; F67-C73 HydrophobicContact CD1-CB 4.42Å; F67-C73 HydrophobicContact CD2-CB 3.45Å; F67-C73 VanDerWaalsContact CD2-CB 3.45Å; F67-C73 HydrophobicContact CE2-CB 4.17Å; F67-C73 HydrophobicContact CG-CB 3.61Å; T69-C73 PolarHBondContact O-N 2.89Å; K70-C73 WeakPolarHBondContact O-CB 3.22Å; K70-C73 PolarHBondContact O-N 3.41Å; C73-W75 VanDerWaalsContact C-N 3.32Å; C73-W75 PolarHBondContact O-N 2.76Å; C73-Y76 PolarHBondContact O-N 3.18Å; C73-C77 VanDerWaalsContact O-CB 3.3Å; C73-C77 WeakPolarHBondContact O-CB 3.41Å; C73-C77 PolarHBondContact O-N 3.1Å
74	E	95.8	Very high	90.1	Very high	71 Å²	71	105.5 Å²	105.5	33%	0.332	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-40.9	-179.6	-71.4	174.9	166.6	0	0	111.5	C52 K70 I71 A72 V78	C52-E74 HydrophobicContact CB-CG 4.02Å; C52-E74 PolarHBondContact SG-N 2.97Å; K70-E74 WeakPolarHBondContact CE-OE1 3.45Å; K70-E74 HydrophobicContact CG-CG 4.39Å; K70-E74 IonicContact NZ-OE1 2.68Å; K70-E74 PolarHBondContact NZ-OE1 2.9Å; K70-E74 WeakPolarHBondContact O-CG 3.3Å; K70-E74 PolarHBondContact O-N 2.97Å; I71-E74 PolarHBondContact O-N 3.42Å; A72-E74 VanDerWaalsContact C-N 3.33Å; A72-E74 PolarHBondContact O-N 2.88Å; E74-V78 HydrophobicContact CB-CB 4.43Å; E74-V78 HydrophobicContact CB-CG2 4.23Å; E74-V78 HydrophobicContact CG-CG2 4.06Å; E74-V78 WeakPolarHBondContact O-CB 3.41Å; E74-V78 PolarHBondContact O-N 3.43Å
75	W	93	Very high	89.9	Confident	200 Å²	200	103.6 Å²	103.6	76%	0.758	46%	0.459	S	S	*	.	H	α-helix	trans	-62.9	-42.2	177.9	-170.9	77.7	0	0	0	112.6	I71 A72 C73	I71-W75 WeakPolarHBondContact O-CB 3.44Å; I71-W75 PolarHBondContact O-N 2.8Å; A72-W75 PolarHBondContact O-N 3.35Å; C73-W75 VanDerWaalsContact C-N 3.32Å; C73-W75 PolarHBondContact O-N 2.76Å
76	Y	92	Very high	89.6	Confident	103 Å²	103	109.3 Å²	109.3	40%	0.404	48%	0.484	S	S	.	.	H	α-helix	trans	-77.7	-38.9	179.8	-76.6	-70.4	0	0	0	113.4	L23 F67 A72 C73	L23-Y76 HydrophobicContact CD2-CD1 4.37Å; L23-Y76 HydrophobicContact CD2-CE1 4.26Å; F67-Y76 HydrophobicContact CD1-CD2 4.01Å; F67-Y76 AromaticContact CE1-CD2 3.58Å; F67-Y76 HydrophobicContact CE1-CD2 3.58Å; F67-Y76 HydrophobicContact CE1-CE2 4.43Å; F67-Y76 AromaticContact CE1-CG 3.97Å; F67-Y76 HydrophobicContact CE1-CG 3.97Å; A72-Y76 WeakPolarHBondContact O-CD2 3.46Å; A72-Y76 PolarHBondContact O-N 2.83Å; C73-Y76 PolarHBondContact O-N 3.18Å
77	C	94.9	Very high	89.2	Confident	7 Å²	7	114.5 Å²	114.5	5%	0.047	51%	0.506	C	S	.	.	H	α-helix	trans	-116.8	-27.8	-161.3	-61.5	0	0	0	0	115.3	C27 Y45 F67 C73 V79	C27-C77 HydrophobicContact CB-CB 3.58Å; C27-C77 WeakPolarHBondContact CB-SG 3.35Å; C27-C77 WeakPolarHBondContact SG-CA 3.16Å; C27-C77 WeakPolarHBondContact SG-CB 3.08Å; C27-C77 CovalentContact SG-SG 2.03Å; C27-C77 PolarHBondContact SG-SG 2.83Å; Y45-C77 HydrophobicContact CD1-CB 4.09Å; Y45-C77 HydrophobicContact CD2-CB 3.67Å; Y45-C77 HydrophobicContact CE2-CB 4.39Å; Y45-C77 HydrophobicContact CG-CB 3.49Å; Y45-C77 VanDerWaalsContact CG-CB 3.49Å; F67-C77 WeakPolarHBondContact CZ-SG 3.5Å; C73-C77 VanDerWaalsContact O-CB 3.3Å; C73-C77 WeakPolarHBondContact O-CB 3.41Å; C73-C77 PolarHBondContact O-N 3.1Å; C77-V79 PolarHBondContact O-N 2.95Å
78	V	92.8	Very high	88.7	Confident	42 Å²	42	120.6 Å²	120.6	26%	0.255	53%	0.533	S	S	.	.			trans	-84.5	112.7	-175.6	176.2	0	0	0	0	109.6	Y45 E74 K80	Y45-V78 HydrophobicContact CD2-CG2 3.91Å; Y45-V78 HydrophobicContact CE2-CG2 3.86Å; E74-V78 HydrophobicContact CB-CB 4.43Å; E74-V78 HydrophobicContact CB-CG2 4.23Å; E74-V78 HydrophobicContact CG-CG2 4.06Å; E74-V78 WeakPolarHBondContact O-CB 3.41Å; E74-V78 PolarHBondContact O-N 3.43Å; V78-K80 PolarHBondContact O-N 3.07Å
79	V	83.1	Confident	88.2	Confident	67 Å²	67	114.5 Å²	114.5	41%	0.406	52%	0.516	S	S	.	.			trans	-84	115.4	173.9	-172.1	0	0	0	0	108.4	C77 K81	C77-V79 PolarHBondContact O-N 2.95Å; V79-K81 PolarHBondContact O-N 2.94Å
80	K	78.8	Confident	87.5	Confident	188 Å²	188	117.9 Å²	117.9	82%	0.817	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-66.1	117.7	172.3	-66.2	-165	179.2	-174.9	0	109	V78 R82	V78-K80 PolarHBondContact O-N 3.07Å; K80-R82 PolarHBondContact O-N 3.41Å
81	K	75.3	Confident	86.6	Confident	190 Å²	190	119.3 Å²	119.3	83%	0.826	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-65.9	120.3	165.6	-67.6	-168	178.5	-177	0	107.3	V79 K83	V79-K81 PolarHBondContact O-N 2.94Å; K81-K83 PolarHBondContact O-N 2.99Å
82	R	71.5	Confident	85.8	Confident	248 Å²	248	118.3 Å²	118.3	94%	0.936	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-69.2	122	166.2	-74.2	-177.2	170.6	159.5	-3	106.6	K80	K80-R82 PolarHBondContact O-N 3.41Å
83	K	59.3	Low	84.8	Confident	275 Å²	275	126.5 Å²	126.5	100%	1.196	54%	0.543	S	S	*	.			trans	-74.2	0	172.4	-174	178.3	179.6	-176.9	0	109.2	K81	K81-K83 PolarHBondContact O-N 2.99Å

Retrieved 83 of 83 residues in 247 ms (Link to these results)

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