A0A5K4F8P2_SCHMA Loading...

BPTI/Kunitz inhibitor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8P2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 87 aa.

						>A0A5K4F8P2_SCHMA|A0A5K4F8P2
MNIKTVFIFVLVAICQRIECGRRQPTPEEICSKPMREGHGSESIARFYYNSLENKCLPFTFRGRGGNKNRFRTEDECQRVCMSNENN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65	Low	79.8	Confident	226 Å²	226	122.9 Å²	122.9	100%	1.113	62%	0.617	S	S	*	*				0	113.5	0	-168.1	156.8	66	0	0	107.8	V6	M1-V6 HydrophobicContact CG-CG2 4.32Å
2	N	78.8	Confident	79.8	Confident	120 Å²	120	119.3 Å²	119.3	64%	0.642	61%	0.606	S	S	*	*			trans	-86.7	128	-169.3	-79	-61.1	0	0	0	111.6	K4 T5 V6	N2-K4 VanDerWaalsContact C-N 3.29Å; N2-K4 PolarHBondContact O-N 3.27Å; N2-T5 WeakPolarHBondContact O-CB 3.32Å; N2-T5 PolarHBondContact O-N 3.11Å; N2-V6 PolarHBondContact O-N 3.34Å
3	I	81.3	Confident	79.2	Confident	128 Å²	128	113.8 Å²	113.8	66%	0.656	59%	0.589	S	S	*	*	H	α-helix	trans	-57.9	-37.8	-177.7	-165.6	164.5	0	0	0	112.9	T5 V6 F7	I3-T5 VanDerWaalsContact C-N 3.32Å; I3-T5 PolarHBondContact O-N 3.26Å; I3-V6 PolarHBondContact O-N 3.41Å; I3-F7 HydrophobicContact CD1-CE2 4.34Å; I3-F7 HydrophobicContact CG1-CD2 4.06Å; I3-F7 HydrophobicContact CG1-CE2 3.87Å; I3-F7 WeakPolarHBondContact O-CD2 3.28Å; I3-F7 PolarHBondContact O-N 3.12Å; I3-F7 VanDerWaalsContact O-N 3.12Å
4	K	77.6	Confident	78.8	Confident	169 Å²	169	111.1 Å²	111.1	74%	0.735	58%	0.575	S	S	*	*	H	α-helix	trans	-60.3	-40.6	174.5	-69.2	-173	176.7	-178.3	0	112.5	N2 F7 I8	N2-K4 VanDerWaalsContact C-N 3.29Å; N2-K4 PolarHBondContact O-N 3.27Å; K4-F7 PolarHBondContact O-N 3.37Å; K4-I8 WeakPolarHBondContact O-CG1 3.37Å; K4-I8 PolarHBondContact O-N 3.32Å; K4-I8 VanDerWaalsContact O-N 3.11Å
5	T	77.9	Confident	78.1	Confident	66 Å²	66	110.1 Å²	110.1	41%	0.405	58%	0.58	S	S	.	*	H	α-helix	trans	-65.7	-41.2	178.7	-52	0	0	0	0	110.7	N2 I3 I8 F9	N2-T5 WeakPolarHBondContact O-CB 3.32Å; N2-T5 PolarHBondContact O-N 3.11Å; I3-T5 VanDerWaalsContact C-N 3.32Å; I3-T5 PolarHBondContact O-N 3.26Å; T5-I8 PolarHBondContact O-N 3.19Å; T5-F9 HydrophobicContact CG2-CD2 3.78Å; T5-F9 HydrophobicContact CG2-CE2 3.59Å; T5-F9 WeakPolarHBondContact O-CD2 3.31Å; T5-F9 PolarHBondContact O-N 2.94Å
6	V	84.7	Confident	77.7	Confident	69 Å²	69	113.1 Å²	113.1	42%	0.418	59%	0.59	S	S	.	*	H	α-helix	trans	-61.4	-45.2	175.9	179.4	0	0	0	0	111.4	M1 N2 I3 I8 F9 V10	M1-V6 HydrophobicContact CG-CG2 4.32Å; N2-V6 PolarHBondContact O-N 3.34Å; I3-V6 PolarHBondContact O-N 3.41Å; V6-I8 PolarHBondContact O-N 3.01Å; V6-F9 PolarHBondContact O-N 3.47Å; V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.21Å; V6-V10 PolarHBondContact O-N 2.93Å
7	F	83.1	Confident	77	Confident	133 Å²	133	119.6 Å²	119.6	58%	0.583	61%	0.605	S	S	*	*	H	α-helix	trans	-61.7	-41.7	176.7	-86.2	-76.6	0	0	0	112.9	I3 K4 V10 L11	I3-F7 HydrophobicContact CD1-CE2 4.34Å; I3-F7 HydrophobicContact CG1-CD2 4.06Å; I3-F7 HydrophobicContact CG1-CE2 3.87Å; I3-F7 WeakPolarHBondContact O-CD2 3.28Å; I3-F7 PolarHBondContact O-N 3.12Å; I3-F7 VanDerWaalsContact O-N 3.12Å; K4-F7 PolarHBondContact O-N 3.37Å; F7-V10 PolarHBondContact O-N 3.41Å; F7-L11 VanDerWaalsContact O-CG 3.28Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 2.96Å
8	I	82.8	Confident	76.3	Confident	106 Å²	106	119.7 Å²	119.7	54%	0.544	61%	0.606	S	S	.	*	H	α-helix	trans	-61.7	-46.1	176.2	-67.8	167.9	0	0	0	110.9	K4 T5 V6 V10 L11 V12	K4-I8 WeakPolarHBondContact O-CG1 3.37Å; K4-I8 PolarHBondContact O-N 3.32Å; K4-I8 VanDerWaalsContact O-N 3.11Å; T5-I8 PolarHBondContact O-N 3.19Å; V6-I8 PolarHBondContact O-N 3.01Å; I8-V10 PolarHBondContact O-N 3.46Å; I8-L11 PolarHBondContact O-N 3.31Å; I8-V12 HydrophobicContact CG2-CG2 4.49Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.3Å
9	F	80.8	Confident	75.6	Confident	149 Å²	149	122.1 Å²	122.1	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-63.3	-40.3	177.7	-84.8	-71.6	0	0	0	112.6	T5 V6 V12 A13	T5-F9 HydrophobicContact CG2-CD2 3.78Å; T5-F9 HydrophobicContact CG2-CE2 3.59Å; T5-F9 WeakPolarHBondContact O-CD2 3.31Å; T5-F9 PolarHBondContact O-N 2.94Å; V6-F9 PolarHBondContact O-N 3.47Å; F9-V12 PolarHBondContact O-N 3.47Å; F9-A13 VanDerWaalsContact O-CB 3.27Å; F9-A13 WeakPolarHBondContact O-CB 3.45Å; F9-A13 PolarHBondContact O-N 3.06Å
10	V	86.4	Confident	75	Confident	73 Å²	73	122 Å²	122	44%	0.442	62%	0.624	S	S	.	*	H	α-helix	trans	-62.8	-44.8	175.1	170.7	0	0	0	0	110.7	V6 F7 I8 A13 I14	V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.21Å; V6-V10 PolarHBondContact O-N 2.93Å; F7-V10 PolarHBondContact O-N 3.41Å; I8-V10 PolarHBondContact O-N 3.46Å; V10-A13 PolarHBondContact O-N 2.86Å; V10-I14 HydrophobicContact CG1-CD1 3.55Å; V10-I14 HydrophobicContact CG1-CG1 4.28Å; V10-I14 WeakPolarHBondContact O-CB 3.15Å; V10-I14 WeakPolarHBondContact O-CD1 3.49Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.03Å
11	L	79	Confident	74.6	Confident	113 Å²	113	120 Å²	120	59%	0.592	63%	0.634	S	S	*	*	H	α-helix	trans	-63.1	-42.1	177.1	-70.3	172.8	0	0	0	112.9	F7 I8 I14 C15	F7-L11 VanDerWaalsContact O-CG 3.28Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 2.96Å; I8-L11 PolarHBondContact O-N 3.31Å; L11-I14 PolarHBondContact O-N 3.46Å; L11-C15 WeakPolarHBondContact O-CB 3.33Å; L11-C15 PolarHBondContact O-N 2.96Å
12	V	79.6	Confident	75	Confident	80 Å²	80	120 Å²	120	49%	0.485	62%	0.622	S	S	.	*	H	α-helix	trans	-64.9	-42.2	175.2	173.5	0	0	0	0	111.1	I8 F9 C15 Q16	I8-V12 HydrophobicContact CG2-CG2 4.49Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.3Å; F9-V12 PolarHBondContact O-N 3.47Å; V12-C15 WeakPolarHBondContact O-CB 3.34Å; V12-C15 PolarHBondContact O-N 3.14Å; V12-Q16 PolarHBondContact O-N 3.27Å; V12-Q16 VanDerWaalsContact O-N 3.14Å
13	A	72.9	Confident	75.1	Confident	47 Å²	47	124.2 Å²	124.2	39%	0.388	63%	0.629	S	S	.	*	H	α-helix	trans	-67.8	-35.6	178.3	0	0	0	0	0	112.7	F9 V10 R17	F9-A13 VanDerWaalsContact O-CB 3.27Å; F9-A13 WeakPolarHBondContact O-CB 3.45Å; F9-A13 PolarHBondContact O-N 3.06Å; V10-A13 PolarHBondContact O-N 2.86Å; A13-R17 WeakPolarHBondContact O-CG 3.27Å; A13-R17 PolarHBondContact O-N 3.3Å
14	I	73.5	Confident	75.3	Confident	77 Å²	77	126.2 Å²	126.2	40%	0.395	64%	0.635	S	S	.	*	H	α-helix	trans	-66.5	-42	172.4	-68.4	165.6	0	0	0	110.2	V10 L11 Q16 R17 I18	V10-I14 HydrophobicContact CG1-CD1 3.55Å; V10-I14 HydrophobicContact CG1-CG1 4.28Å; V10-I14 WeakPolarHBondContact O-CB 3.15Å; V10-I14 WeakPolarHBondContact O-CD1 3.49Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.03Å; L11-I14 PolarHBondContact O-N 3.46Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.08Å; I14-R17 PolarHBondContact O-N 3.32Å; I14-R17 VanDerWaalsContact O-N 3.08Å; I14-I18 HydrophobicContact CG2-CD1 3.58Å; I14-I18 HydrophobicContact CG2-CG1 4.07Å; I14-I18 PolarHBondContact O-N 2.91Å
15	C	68.1	Low	75.9	Confident	96 Å²	96	120.1 Å²	120.1	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-56.6	-41.1	176.9	-176	0	0	0	0	112.2	L11 V12	L11-C15 WeakPolarHBondContact O-CB 3.33Å; L11-C15 PolarHBondContact O-N 2.96Å; V12-C15 WeakPolarHBondContact O-CB 3.34Å; V12-C15 PolarHBondContact O-N 3.14Å
16	Q	70.9	Confident	76.6	Confident	157 Å²	157	119 Å²	119	73%	0.734	61%	0.606	S	S	*	*	H	α-helix	trans	-74	-22.9	177.7	-68.9	-177.4	-36.2	0	0	114.4	V12 I14	V12-Q16 PolarHBondContact O-N 3.27Å; V12-Q16 VanDerWaalsContact O-N 3.14Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.08Å
17	R	67.1	Low	77	Confident	225 Å²	225	119.1 Å²	119.1	85%	0.849	61%	0.608	S	S	*	*	H	α-helix	trans	-96.3	-28.1	-175.1	-75.8	-167	179.2	-157.1	1.2	114.6	A13 I14	A13-R17 WeakPolarHBondContact O-CG 3.27Å; A13-R17 PolarHBondContact O-N 3.3Å; I14-R17 PolarHBondContact O-N 3.32Å; I14-R17 VanDerWaalsContact O-N 3.08Å
18	I	64.2	Low	77.4	Confident	121 Å²	121	120.5 Å²	120.5	62%	0.621	62%	0.616	S	S	*	*	H	α-helix	trans	-94	-38.2	-171.9	-58.5	-170.9	0	0	0	112.7	I14	I14-I18 HydrophobicContact CG2-CD1 3.58Å; I14-I18 HydrophobicContact CG2-CG1 4.07Å; I14-I18 PolarHBondContact O-N 2.91Å
19	E	62	Low	77.9	Confident	164 Å²	164	119.7 Å²	119.7	77%	0.766	61%	0.61	S	S	*	*			trans	-145.5	51.5	-166	-88.3	164.4	-150	0	0	116.6	G21	E19-G21 PolarHBondContact O-N 3.18Å
20	C	64	Low	78.6	Confident	121 Å²	121	113.8 Å²	113.8	82%	0.818	59%	0.585	S	S	*	*			trans	-84.8	80.1	148	-150.4	0	0	0	0	107.9	R22	C20-R22 PolarHBondContact O-N 3.27Å
21	G	67.1	Low	79.1	Confident	80 Å²	80	110.7 Å²	110.7	83%	0.825	57%	0.567	S	S	*	*			trans	-61.4	57.1	-169.6	0	0	0	0	0	116.6	E19	E19-G21 PolarHBondContact O-N 3.18Å
22	R	73.6	Confident	79.8	Confident	227 Å²	227	108.5 Å²	108.5	86%	0.857	56%	0.561	S	S	*	*			trans	-122	81.5	164.9	-83	-164.6	174.3	109.3	-1.2	109.9	C20 Q24	C20-R22 PolarHBondContact O-N 3.27Å; R22-Q24 PolarHBondContact O-N 2.73Å
23	R	81.4	Confident	80.6	Confident	208 Å²	208	109.6 Å²	109.6	79%	0.785	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-60.2	123.3	157.4	-178.6	176.2	172.5	133	-1.8	107.4
24	Q	84.5	Confident	81.7	Confident	170 Å²	170	111.7 Å²	111.7	79%	0.794	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-66.8	134.9	169.8	-66.8	-173.9	-4.6	0	0	108.2	R22 T26	R22-Q24 PolarHBondContact O-N 2.73Å; Q24-T26 PolarHBondContact O-N 3.44Å
25	P	89.9	Confident	82.7	Confident	40 Å²	40	112.1 Å²	112.1	26%	0.26	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-65.9	137.2	177.6	25	-28.1	0	0	0	109.2	E29 I30 K68	P25-E29 VanDerWaalsContact CA-OE2 3.31Å; P25-E29 WeakPolarHBondContact CA-OE2 3.35Å; P25-E29 HydrophobicContact CB-CB 4.12Å; P25-I30 HydrophobicContact CB-CD1 4.48Å; P25-I30 HydrophobicContact CB-CG1 4.05Å; P25-I30 HydrophobicContact CG-CD1 4.11Å; P25-I30 HydrophobicContact CG-CG1 4.03Å; P25-K68 VanDerWaalsContact CD-NZ 3.28Å; P25-K68 HydrophobicContact CG-CD 3.52Å
26	T	92.2	Very high	84.1	Confident	43 Å²	43	114.5 Å²	114.5	26%	0.264	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-63.1	157.7	174.3	59.2	0	0	0	0	110.5	Q24 E28 E29 I30	Q24-T26 PolarHBondContact O-N 3.44Å; T26-E28 PolarHBondContact O-N 3.13Å; T26-E29 PolarHBondContact N-OE2 3.37Å; T26-E29 PolarHBondContact O-N 3.45Å; T26-E29 VanDerWaalsContact O-N 3.13Å; T26-E29 WeakPolarHBondContact OG1-CB 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.14Å; T26-E29 PolarHBondContact OG1-N 3.1Å; T26-E29 PolarHBondContact OG1-OE2 3.23Å; T26-I30 WeakPolarHBondContact O-CG1 3.21Å; T26-I30 PolarHBondContact O-N 2.64Å; T26-I30 VanDerWaalsContact O-N 3.11Å
27	P	92.9	Very high	85.3	Confident	72 Å²	72	111.2 Å²	111.2	47%	0.468	55%	0.55	S	S	.	*	H	α-helix	trans	-52.6	-42.4	172.3	-28.2	36.3	0	0	0	112.7	E29 I30 C31 V80	P27-E29 PolarHBondContact O-N 3.19Å; P27-I30 WeakPolarHBondContact O-CB 3.45Å; P27-I30 PolarHBondContact O-N 3.43Å; P27-C31 VanDerWaalsContact O-CB 3.32Å; P27-C31 WeakPolarHBondContact O-CB 3.32Å; P27-C31 PolarHBondContact O-N 2.98Å; P27-C31 PolarHBondContact O-SG 3.41Å; P27-V80 HydrophobicContact CB-CG1 4.26Å; P27-V80 WeakPolarHBondContact CB-O 3.37Å
28	E	92.4	Very high	86.7	Confident	161 Å²	161	101.6 Å²	101.6	75%	0.752	52%	0.521	S	S	*	.	H	α-helix	trans	-58.7	-45.4	176.4	-171.4	-178.2	-179.2	0	0	112.2	T26 I30 C31 S32	T26-E28 PolarHBondContact O-N 3.13Å; E28-I30 PolarHBondContact O-N 2.9Å; E28-C31 PolarHBondContact O-N 2.77Å; E28-S32 WeakPolarHBondContact O-CB 3.36Å; E28-S32 PolarHBondContact O-N 3.5Å; E28-S32 PolarHBondContact O-OG 2.79Å
29	E	94	Very high	88.2	Confident	89 Å²	89	101.6 Å²	101.6	42%	0.416	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-24.2	176.8	-74.4	169.7	128.6	0	0	113.4	P25 T26 P27 K33	P25-E29 VanDerWaalsContact CA-OE2 3.31Å; P25-E29 WeakPolarHBondContact CA-OE2 3.35Å; P25-E29 HydrophobicContact CB-CB 4.12Å; T26-E29 PolarHBondContact N-OE2 3.37Å; T26-E29 PolarHBondContact O-N 3.45Å; T26-E29 VanDerWaalsContact O-N 3.13Å; T26-E29 WeakPolarHBondContact OG1-CB 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.14Å; T26-E29 PolarHBondContact OG1-N 3.1Å; T26-E29 PolarHBondContact OG1-OE2 3.23Å; P27-E29 PolarHBondContact O-N 3.19Å; E29-K33 VanDerWaalsContact O-CE 3.29Å; E29-K33 WeakPolarHBondContact O-CE 3.41Å; E29-K33 VanDerWaalsContact O-CG 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.42Å
30	I	95.3	Very high	89.8	Confident	25 Å²	25	95.2 Å²	95.2	13%	0.128	50%	0.497	C	S	.	.	H	α-helix	trans	-83.3	-56.5	176	-65.4	170.9	0	0	0	109.8	P25 T26 P27 E28 S32 K33 K68 N69 F71	P25-I30 HydrophobicContact CB-CD1 4.48Å; P25-I30 HydrophobicContact CB-CG1 4.05Å; P25-I30 HydrophobicContact CG-CD1 4.11Å; P25-I30 HydrophobicContact CG-CG1 4.03Å; T26-I30 WeakPolarHBondContact O-CG1 3.21Å; T26-I30 PolarHBondContact O-N 2.64Å; T26-I30 VanDerWaalsContact O-N 3.11Å; P27-I30 WeakPolarHBondContact O-CB 3.45Å; P27-I30 PolarHBondContact O-N 3.43Å; E28-I30 PolarHBondContact O-N 2.9Å; I30-S32 VanDerWaalsContact C-N 3.35Å; I30-S32 PolarHBondContact O-N 3.26Å; I30-K33 WeakPolarHBondContact O-CB 3.26Å; I30-K33 PolarHBondContact O-N 3.06Å; I30-K68 HydrophobicContact CB-CB 4.49Å; I30-K68 HydrophobicContact CG1-CB 4.02Å; I30-K68 HydrophobicContact CG1-CD 4.39Å; I30-K68 HydrophobicContact CG2-CB 3.95Å; I30-K68 VanDerWaalsContact CG2-O 3.26Å; I30-K68 WeakPolarHBondContact CG2-O 3.29Å; I30-N69 WeakPolarHBondContact O-CB 3.29Å; I30-F71 HydrophobicContact CG2-CZ 3.92Å
31	C	95.9	Very high	91.3	Very high	8 Å²	8	95.3 Å²	95.3	5%	0.054	50%	0.499	C	S	.	.	H	α-helix	trans	-74.4	-23.3	-168.8	-54.8	0	0	0	0	112.8	P27 E28 K33 Y49 C81	P27-C31 VanDerWaalsContact O-CB 3.32Å; P27-C31 WeakPolarHBondContact O-CB 3.32Å; P27-C31 PolarHBondContact O-N 2.98Å; P27-C31 PolarHBondContact O-SG 3.41Å; E28-C31 PolarHBondContact O-N 2.77Å; C31-K33 PolarHBondContact O-N 3.11Å; C31-Y49 HydrophobicContact CB-CD1 3.7Å; C31-Y49 HydrophobicContact CB-CE1 4.29Å; C31-Y49 HydrophobicContact CB-CG 4.21Å; C31-Y49 WeakPolarHBondContact O-CD1 3.31Å; C31-C81 HydrophobicContact CB-CB 3.66Å; C31-C81 WeakPolarHBondContact CB-SG 3.05Å; C31-C81 WeakPolarHBondContact SG-CA 3.49Å; C31-C81 WeakPolarHBondContact SG-CB 2.95Å; C31-C81 CovalentContact SG-SG 2.02Å; C31-C81 PolarHBondContact SG-SG 3.34Å
32	S	94.8	Very high	92.7	Very high	67 Å²	67	96.2 Å²	96.2	47%	0.469	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10	172	60.8	0	0	0	0	114.2	E28 I30	E28-S32 WeakPolarHBondContact O-CB 3.36Å; E28-S32 PolarHBondContact O-N 3.5Å; E28-S32 PolarHBondContact O-OG 2.79Å; I30-S32 VanDerWaalsContact C-N 3.35Å; I30-S32 PolarHBondContact O-N 3.26Å
33	K	96	Very high	93.7	Very high	103 Å²	103	90.1 Å²	90.1	45%	0.448	47%	0.474	S	S	.	.	S	Bend	trans	-78.9	143.9	-179.3	-59.1	-59.6	-178.8	-163.7	0	111.1	E29 I30 C31 N67 N69	E29-K33 VanDerWaalsContact O-CE 3.29Å; E29-K33 WeakPolarHBondContact O-CE 3.41Å; E29-K33 VanDerWaalsContact O-CG 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.42Å; I30-K33 WeakPolarHBondContact O-CB 3.26Å; I30-K33 PolarHBondContact O-N 3.06Å; C31-K33 PolarHBondContact O-N 3.11Å; K33-N67 HydrophobicContact CB-CB 4.48Å; K33-N69 HydrophobicContact CB-CB 4.24Å; K33-N69 PolarHBondContact O-ND2 2.95Å
34	P	95.3	Very high	94.5	Very high	92 Å²	92	82.2 Å²	82.2	60%	0.597	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-67	158.7	177.2	29.1	-36.2	0	0	0	111.6	R36 N67	P34-R36 PolarHBondContact O-N 3.3Å; P34-N67 PolarHBondContact O-ND2 3.07Å
35	M	95.3	Very high	95.1	Very high	86 Å²	86	78 Å²	78	42%	0.424	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-57.8	134.9	169.3	-170.5	-93.3	-78	0	0	110.5	Y48 F59	M35-Y48 HydrophobicContact CB-CD1 4.01Å; M35-Y48 HydrophobicContact CB-CD2 3.57Å; M35-Y48 HydrophobicContact CB-CE1 3.99Å; M35-Y48 HydrophobicContact CB-CE2 3.57Å; M35-Y48 HydrophobicContact CB-CG 3.79Å; M35-Y48 HydrophobicContact CG-CD1 3.51Å; M35-Y48 HydrophobicContact CG-CD2 4.02Å; M35-Y48 HydrophobicContact CG-CE1 3.66Å; M35-Y48 HydrophobicContact CG-CE2 4.17Å; M35-Y48 HydrophobicContact CG-CG 3.69Å; M35-F59 HydrophobicContact CE-CB 4.46Å; M35-F59 HydrophobicContact CG-CB 4.13Å; M35-F59 HydrophobicContact CG-CD1 4.42Å; M35-F59 HydrophobicContact CG-CD2 3.73Å; M35-F59 HydrophobicContact CG-CE2 4.17Å; M35-F59 HydrophobicContact CG-CG 3.85Å; M35-F59 HydrophobicContact SD-CB 4.24Å; M35-F59 HydrophobicContact SD-CD2 3.63Å; M35-F59 HydrophobicContact SD-CE2 4.26Å; M35-F59 HydrophobicContact SD-CG 4.16Å
36	R	96.9	Very high	95.5	Very high	146 Å²	146	78.9 Å²	78.9	55%	0.551	44%	0.439	S	S	*	.			trans	-139.2	106.9	176.2	-170.4	-176.6	-82.7	-172.8	-6.1	110.6	P34 G38	P34-R36 PolarHBondContact O-N 3.3Å; R36-G38 PolarHBondContact O-N 3Å; R36-G38 VanDerWaalsContact O-N 3.16Å
37	E	96.1	Very high	95.8	Very high	87 Å²	87	79 Å²	79	41%	0.407	44%	0.436	S	S	.	.			trans	-56	-30.5	178.2	-145.1	-163.8	152.2	0	0	112.8	T60 F61 R62	E37-T60 WeakPolarHBondContact CG-O 3.37Å; E37-F61 WeakPolarHBondContact O-CD2 3.34Å; E37-R62 HydrophobicContact CG-CG 3.94Å; E37-R62 PolarHBondContact O-N 3.37Å; E37-R62 VanDerWaalsContact OE1-CD 3.32Å; E37-R62 WeakPolarHBondContact OE1-CD 3.24Å; E37-R62 VanDerWaalsContact OE1-CG 3.28Å; E37-R62 WeakPolarHBondContact OE1-CG 3.37Å
38	G	96.4	Very high	96	Very high	24 Å²	24	77.2 Å²	77.2	25%	0.247	42%	0.42	C	S	.	.			trans	76.4	-154	-174.2	0	0	0	0	0	111.7	R36 R64	R36-G38 PolarHBondContact O-N 3Å; R36-G38 VanDerWaalsContact O-N 3.16Å; G38-R64 CarbonylContact C-O 3.57Å; G38-R64 WeakPolarHBondContact CA-O 3.48Å
39	H	95.8	Very high	96.2	Very high	120 Å²	120	70.9 Å²	70.9	56%	0.556	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-142.7	158	179.6	59.3	80.3	0	0	0	111.1	R62 R64	H39-R62 VanDerWaalsContact C-CB 3.47Å; H39-R62 CarbonylContact C-O 3.56Å; H39-R62 VanDerWaalsContact O-O 3.1Å; H39-R64 PolarHBondContact N-O 3.36Å; H39-R64 WeakPolarHBondContact O-CB 3.07Å; H39-R64 PolarHBondContact O-N 3.07Å; H39-R64 VanDerWaalsContact O-N 3.15Å
40	G	96.1	Very high	96.3	Very high	30 Å²	30	67.7 Å²	67.7	31%	0.309	38%	0.375	S	S	.	.	S	Bend	trans	133.8	-172.2	-177.4	0	0	0	0	0	112.7	R62	G40-R62 CarbonylContact C-O 3.53Å; G40-R62 VanDerWaalsContact CA-O 3.29Å; G40-R62 WeakPolarHBondContact CA-O 3.15Å; G40-R62 PolarHBondContact O-NE 3.31Å; G40-R62 PolarHBondContact O-NH2 3.39Å
41	S	95.4	Very high	96.2	Very high	124 Å²	124	69.6 Å²	69.6	87%	0.867	39%	0.39	S	S	*	.	S	Bend	trans	-108	-1	-179	52.8	0	0	0	0	113.4
42	E	95.9	Very high	96	Very high	98 Å²	98	76.6 Å²	76.6	46%	0.458	43%	0.427	S	S	.	.			trans	-80.2	151.6	176.7	-61.8	177.1	-117.3	0	0	109.7	I44 R62	E42-I44 HydrophobicContact CB-CD1 4.17Å; E42-I44 HydrophobicContact CB-CG1 4.01Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.38Å; E42-R62 VanDerWaalsContact O-CA 3.26Å; E42-R62 WeakPolarHBondContact O-CA 3.33Å
43	S	96.1	Very high	95.9	Very high	99 Å²	99	78.2 Å²	78.2	69%	0.692	43%	0.427	S	S	*	.			trans	-127.4	97.8	172.6	-178.9	0	0	0	0	107.4	T60	S43-T60 WeakPolarHBondContact OG-CG2 3.4Å
44	I	97.5	Very high	95.7	Very high	42 Å²	42	78.2 Å²	78.2	22%	0.215	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.2	-172.9	-42.4	173.3	0	0	0	109.7	E42 R46 F61	E42-I44 HydrophobicContact CB-CD1 4.17Å; E42-I44 HydrophobicContact CB-CG1 4.01Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.38Å; I44-R46 HydrophobicContact CG2-CG 4.46Å; I44-R46 VanDerWaalsContact CG2-NH2 3.35Å; I44-R46 PolarHBondContact O-N 2.95Å; I44-F61 HydrophobicContact CD1-CD1 4.25Å; I44-F61 PolarHBondContact N-O 2.98Å; I44-F61 PolarHBondContact O-N 3.32Å
45	A	97.4	Very high	95.7	Very high	81 Å²	81	79.6 Å²	79.6	67%	0.669	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	126.1	174.2	0	0	0	0	0	110.5
46	R	97.8	Very high	95.8	Very high	59 Å²	59	75.9 Å²	75.9	22%	0.223	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	168.9	179	-63.2	-65	168.1	73.7	-4	109.8	I44 P58 F59 F61 R70 F71	I44-R46 HydrophobicContact CG2-CG 4.46Å; I44-R46 VanDerWaalsContact CG2-NH2 3.35Å; I44-R46 PolarHBondContact O-N 2.95Å; R46-P58 CarbonylContact O-C 3.54Å; R46-P58 WeakPolarHBondContact O-CA 3.4Å; R46-F59 HydrophobicContact CB-CD1 4.07Å; R46-F59 HydrophobicContact CB-CE1 3.58Å; R46-F59 HydrophobicContact CB-CZ 4.03Å; R46-F59 PolarHBondContact N-O 3Å; R46-F59 WeakPolarHBondContact O-CD1 3.44Å; R46-F59 PolarHBondContact O-N 3.01Å; R46-F61 HydrophobicContact CB-CB 4.44Å; R46-F61 HydrophobicContact CG-CB 3.85Å; R46-R70 HydrophobicContact CB-CG 3.74Å; R46-R70 HydrophobicContact CG-CG 3.79Å; R46-F71 WeakPolarHBondContact CA-O 3.47Å; R46-F71 WeakPolarHBondContact CB-O 3.4Å; R46-F71 WeakPolarHBondContact CD-O 3.39Å
47	F	97.9	Very high	95.8	Very high	45 Å²	45	71 Å²	71	20%	0.197	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.9	175.4	-68.6	-95.6	0	0	0	110.1	L57 P58 R70 F71 E74 C77	F47-L57 WeakPolarHBondContact CA-O 3.38Å; F47-P58 HydrophobicContact CD1-CB 4.24Å; F47-P58 HydrophobicContact CE1-CB 3.91Å; F47-P58 HydrophobicContact CZ-CB 4.37Å; F47-R70 CarbonylContact O-C 3.52Å; F47-R70 VanDerWaalsContact O-CA 3.32Å; F47-R70 WeakPolarHBondContact O-CA 3.38Å; F47-F71 HydrophobicContact CB-CB 4.48Å; F47-F71 PolarHBondContact N-O 3.49Å; F47-F71 PolarHBondContact O-N 3.2Å; F47-E74 HydrophobicContact CD1-CB 3.9Å; F47-E74 HydrophobicContact CD1-CG 4.22Å; F47-E74 HydrophobicContact CE1-CB 3.76Å; F47-E74 HydrophobicContact CE1-CG 4.23Å; F47-E74 HydrophobicContact CG-CB 4.33Å; F47-E74 HydrophobicContact CZ-CB 4.08Å; F47-C77 HydrophobicContact CB-CB 4.15Å
48	Y	97.6	Very high	95.9	Very high	35 Å²	35	71.3 Å²	71.3	14%	0.137	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.7	170.5	78.5	-78.7	0	0	0	109.1	M35 N50 C56 L57 F59 N69	M35-Y48 HydrophobicContact CB-CD1 4.01Å; M35-Y48 HydrophobicContact CB-CD2 3.57Å; M35-Y48 HydrophobicContact CB-CE1 3.99Å; M35-Y48 HydrophobicContact CB-CE2 3.57Å; M35-Y48 HydrophobicContact CB-CG 3.79Å; M35-Y48 HydrophobicContact CG-CD1 3.51Å; M35-Y48 HydrophobicContact CG-CD2 4.02Å; M35-Y48 HydrophobicContact CG-CE1 3.66Å; M35-Y48 HydrophobicContact CG-CE2 4.17Å; M35-Y48 HydrophobicContact CG-CG 3.69Å; Y48-N50 HydrophobicContact CE2-CB 3.75Å; Y48-C56 CarbonylContact O-C 3.42Å; Y48-C56 WeakPolarHBondContact O-CA 3.4Å; Y48-L57 HydrophobicContact CD1-CB 4.28Å; Y48-L57 VanDerWaalsContact CD1-O 3.24Å; Y48-L57 WeakPolarHBondContact CD1-O 2.97Å; Y48-L57 HydrophobicContact CE1-CB 3.65Å; Y48-L57 PolarHBondContact N-O 2.73Å; Y48-L57 PolarHBondContact O-N 2.71Å; Y48-F59 HydrophobicContact CD1-CB 3.96Å; Y48-F59 AromaticContact CD1-CD1 3.58Å; Y48-F59 HydrophobicContact CD1-CD1 3.58Å; Y48-F59 HydrophobicContact CD1-CE1 4.27Å; Y48-F59 AromaticContact CD1-CG 3.92Å; Y48-F59 HydrophobicContact CD1-CG 3.92Å; Y48-F59 HydrophobicContact CE1-CB 4.21Å; Y48-F59 HydrophobicContact CG-CD1 4.18Å; Y48-F59 HydrophobicContact CG-CE1 4.43Å; Y48-N69 VanDerWaalsContact CB-O 3.24Å; Y48-N69 WeakPolarHBondContact CB-O 3.47Å
49	Y	97.5	Very high	95.9	Very high	29 Å²	29	71 Å²	71	11%	0.114	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.9	173.9	-178	-101.9	0	0	0	110.4	C31 N54 N69 C81 M82	C31-Y49 HydrophobicContact CB-CD1 3.7Å; C31-Y49 HydrophobicContact CB-CE1 4.29Å; C31-Y49 HydrophobicContact CB-CG 4.21Å; C31-Y49 WeakPolarHBondContact O-CD1 3.31Å; Y49-N54 PolarHBondContact OH-OD1 2.94Å; Y49-N54 VanDerWaalsContact OH-OD1 3.07Å; Y49-N69 PolarHBondContact N-OD1 3.36Å; Y49-N69 PolarHBondContact O-ND2 2.03Å; Y49-C81 WeakPolarHBondContact CB-SG 3.28Å; Y49-C81 HydrophobicContact CD1-CB 3.99Å; Y49-C81 HydrophobicContact CD2-CB 3.37Å; Y49-C81 HydrophobicContact CE1-CB 4.39Å; Y49-C81 HydrophobicContact CE2-CB 3.85Å; Y49-C81 HydrophobicContact CG-CB 3.42Å; Y49-C81 VanDerWaalsContact CG-CB 3.42Å; Y49-M82 HydrophobicContact CD2-CE 3.93Å; Y49-M82 HydrophobicContact CD2-CG 4.4Å; Y49-M82 HydrophobicContact CE2-CE 3.66Å; Y49-M82 HydrophobicContact CE2-CG 3.82Å
50	N	96.4	Very high	96	Very high	22 Å²	22	68.1 Å²	68.1	12%	0.118	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.8	170.1	-174.1	-7.9	0	0	0	108.8	Y48 L52 E53 N54 K55 L57	Y48-N50 HydrophobicContact CE2-CB 3.75Å; N50-L52 VanDerWaalsContact C-N 3.25Å; N50-L52 PolarHBondContact O-N 2.81Å; N50-L52 WeakPolarHBondContact OD1-CB 3.3Å; N50-L52 PolarHBondContact OD1-N 2.77Å; N50-E53 HydrophobicContact CB-CB 4.4Å; N50-E53 PolarHBondContact ND2-OE1 2.86Å; N50-E53 PolarHBondContact O-N 2.02Å; N50-N54 WeakPolarHBondContact O-CA 3.27Å; N50-N54 PolarHBondContact O-N 3.39Å; N50-K55 PolarHBondContact N-O 2.66Å; N50-K55 PolarHBondContact O-N 3.41Å; N50-L57 HydrophobicContact CB-CD1 3.93Å; N50-L57 HydrophobicContact CB-CG 4.4Å
51	S	91.5	Very high	96.1	Very high	64 Å²	64	67 Å²	67	45%	0.448	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.7	178.2	56.9	0	0	0	0	114	N54	S51-N54 PolarHBondContact O-OD1 2.82Å
52	L	92.3	Very high	96.2	Very high	155 Å²	155	66.2 Å²	66.2	81%	0.812	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-37.9	175.8	-60.5	176.3	0	0	0	111.6	N50	N50-L52 VanDerWaalsContact C-N 3.25Å; N50-L52 PolarHBondContact O-N 2.81Å; N50-L52 WeakPolarHBondContact OD1-CB 3.3Å; N50-L52 PolarHBondContact OD1-N 2.77Å
53	E	93.3	Very high	96.1	Very high	102 Å²	102	62.5 Å²	62.5	48%	0.477	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.8	179.5	-69.1	-179.1	-124.8	0	0	113	N50 K55	N50-E53 HydrophobicContact CB-CB 4.4Å; N50-E53 PolarHBondContact ND2-OE1 2.86Å; N50-E53 PolarHBondContact O-N 2.02Å; E53-K55 HydrophobicContact CB-CB 4.23Å; E53-K55 WeakPolarHBondContact O-CG 2.96Å; E53-K55 PolarHBondContact O-N 3.42Å
54	N	92.1	Very high	96.1	Very high	103 Å²	103	66 Å²	66	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	43.2	-169.6	-68.8	-47.8	0	0	0	112.3	Y49 N50 S51 M82	Y49-N54 PolarHBondContact OH-OD1 2.94Å; Y49-N54 VanDerWaalsContact OH-OD1 3.07Å; N50-N54 WeakPolarHBondContact O-CA 3.27Å; N50-N54 PolarHBondContact O-N 3.39Å; S51-N54 PolarHBondContact O-OD1 2.82Å; N54-M82 WeakPolarHBondContact O-CE 3.38Å
55	K	95.1	Very high	96	Very high	121 Å²	121	66.1 Å²	66.1	53%	0.526	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.9	-174	-77.3	175.7	-172.8	178.2	0	112.2	N50 E53 L57	N50-K55 PolarHBondContact N-O 2.66Å; N50-K55 PolarHBondContact O-N 3.41Å; E53-K55 HydrophobicContact CB-CB 4.23Å; E53-K55 WeakPolarHBondContact O-CG 2.96Å; E53-K55 PolarHBondContact O-N 3.42Å; K55-L57 HydrophobicContact CB-CD2 4.36Å
56	C	97.3	Very high	95.9	Very high	8 Å²	8	63.1 Å²	63.1	5%	0.054	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.2	169.2	-72.2	0	0	0	0	109.5	Y48 E74 C77 Q78 M82	Y48-C56 CarbonylContact O-C 3.42Å; Y48-C56 WeakPolarHBondContact O-CA 3.4Å; C56-E74 HydrophobicContact CB-CG 4.11Å; C56-C77 HydrophobicContact CB-CB 3.69Å; C56-C77 WeakPolarHBondContact CB-SG 3.29Å; C56-C77 WeakPolarHBondContact SG-CB 3.22Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.37Å; C56-Q78 HydrophobicContact CB-CG 4.26Å; C56-Q78 PolarHBondContact SG-N 2.77Å; C56-Q78 VanDerWaalsContact SG-N 3.36Å; C56-M82 HydrophobicContact CB-CE 4.46Å
57	L	97.2	Very high	95.8	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.225	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.8	-176.7	-63	177.6	0	0	0	110.6	F47 Y48 N50 K55	F47-L57 WeakPolarHBondContact CA-O 3.38Å; Y48-L57 HydrophobicContact CD1-CB 4.28Å; Y48-L57 VanDerWaalsContact CD1-O 3.24Å; Y48-L57 WeakPolarHBondContact CD1-O 2.97Å; Y48-L57 HydrophobicContact CE1-CB 3.65Å; Y48-L57 PolarHBondContact N-O 2.73Å; Y48-L57 PolarHBondContact O-N 2.71Å; N50-L57 HydrophobicContact CB-CD1 3.93Å; N50-L57 HydrophobicContact CB-CG 4.4Å; K55-L57 HydrophobicContact CB-CD2 4.36Å
58	P	97.4	Very high	95.7	Very high	93 Å²	93	65.9 Å²	65.9	60%	0.604	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.2	174.6	30.1	-34.2	0	0	0	110.7	R46 F47	R46-P58 CarbonylContact O-C 3.54Å; R46-P58 WeakPolarHBondContact O-CA 3.4Å; F47-P58 HydrophobicContact CD1-CB 4.24Å; F47-P58 HydrophobicContact CE1-CB 3.91Å; F47-P58 HydrophobicContact CZ-CB 4.37Å
59	F	97	Very high	95.7	Very high	18 Å²	18	64.2 Å²	64.2	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.4	171.7	79.7	-70.3	0	0	0	110.8	M35 R46 Y48 F61 R70	M35-F59 HydrophobicContact CE-CB 4.46Å; M35-F59 HydrophobicContact CG-CB 4.13Å; M35-F59 HydrophobicContact CG-CD1 4.42Å; M35-F59 HydrophobicContact CG-CD2 3.73Å; M35-F59 HydrophobicContact CG-CE2 4.17Å; M35-F59 HydrophobicContact CG-CG 3.85Å; M35-F59 HydrophobicContact SD-CB 4.24Å; M35-F59 HydrophobicContact SD-CD2 3.63Å; M35-F59 HydrophobicContact SD-CE2 4.26Å; M35-F59 HydrophobicContact SD-CG 4.16Å; R46-F59 HydrophobicContact CB-CD1 4.07Å; R46-F59 HydrophobicContact CB-CE1 3.58Å; R46-F59 HydrophobicContact CB-CZ 4.03Å; R46-F59 PolarHBondContact N-O 3Å; R46-F59 WeakPolarHBondContact O-CD1 3.44Å; R46-F59 PolarHBondContact O-N 3.01Å; Y48-F59 HydrophobicContact CD1-CB 3.96Å; Y48-F59 AromaticContact CD1-CD1 3.58Å; Y48-F59 HydrophobicContact CD1-CD1 3.58Å; Y48-F59 HydrophobicContact CD1-CE1 4.27Å; Y48-F59 AromaticContact CD1-CG 3.92Å; Y48-F59 HydrophobicContact CD1-CG 3.92Å; Y48-F59 HydrophobicContact CE1-CB 4.21Å; Y48-F59 HydrophobicContact CG-CD1 4.18Å; Y48-F59 HydrophobicContact CG-CE1 4.43Å; F59-F61 HydrophobicContact CE2-CB 4.16Å; F59-F61 HydrophobicContact CZ-CB 4.49Å; F59-R70 HydrophobicContact CE1-CB 4.37Å; F59-R70 HydrophobicContact CE1-CG 4.03Å; F59-R70 HydrophobicContact CZ-CB 3.96Å; F59-R70 HydrophobicContact CZ-CG 3.63Å
60	T	96.8	Very high	95.6	Very high	60 Å²	60	66.1 Å²	66.1	37%	0.368	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.7	174.9	-56.7	0	0	0	0	109.5	E37 S43	E37-T60 WeakPolarHBondContact CG-O 3.37Å; S43-T60 WeakPolarHBondContact OG-CG2 3.4Å
61	F	98	Very high	95.7	Very high	7 Å²	7	65.7 Å²	65.7	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.4	173.3	176	-118.9	0	0	0	110.4	E37 I44 R46 F59 G63 G65 R70	E37-F61 WeakPolarHBondContact O-CD2 3.34Å; I44-F61 HydrophobicContact CD1-CD1 4.25Å; I44-F61 PolarHBondContact N-O 2.98Å; I44-F61 PolarHBondContact O-N 3.32Å; R46-F61 HydrophobicContact CB-CB 4.44Å; R46-F61 HydrophobicContact CG-CB 3.85Å; F59-F61 HydrophobicContact CE2-CB 4.16Å; F59-F61 HydrophobicContact CZ-CB 4.49Å; F61-G63 VanDerWaalsContact CE1-CA 3.42Å; F61-G63 WeakPolarHBondContact CE1-O 3.32Å; F61-G63 VanDerWaalsContact CZ-O 3.32Å; F61-G63 WeakPolarHBondContact CZ-O 3.24Å; F61-G63 PolarHBondContact O-N 2.88Å; F61-G65 WeakPolarHBondContact CE2-O 3Å; F61-G65 WeakPolarHBondContact CZ-O 2.96Å; F61-R70 VanDerWaalsContact CG-CD 3.43Å; F61-R70 VanDerWaalsContact CZ-CZ 3.45Å
62	R	97.5	Very high	95.9	Very high	107 Å²	107	72.3 Å²	72.3	40%	0.404	36%	0.355	S	S	.	.			trans	-82	10	-173.3	-62.9	-173.8	70.4	152	4.1	115.8	E37 H39 G40 E42 R64	E37-R62 HydrophobicContact CG-CG 3.94Å; E37-R62 PolarHBondContact O-N 3.37Å; E37-R62 VanDerWaalsContact OE1-CD 3.32Å; E37-R62 WeakPolarHBondContact OE1-CD 3.24Å; E37-R62 VanDerWaalsContact OE1-CG 3.28Å; E37-R62 WeakPolarHBondContact OE1-CG 3.37Å; H39-R62 VanDerWaalsContact C-CB 3.47Å; H39-R62 CarbonylContact C-O 3.56Å; H39-R62 VanDerWaalsContact O-O 3.1Å; G40-R62 CarbonylContact C-O 3.53Å; G40-R62 VanDerWaalsContact CA-O 3.29Å; G40-R62 WeakPolarHBondContact CA-O 3.15Å; G40-R62 PolarHBondContact O-NE 3.31Å; G40-R62 PolarHBondContact O-NH2 3.39Å; E42-R62 VanDerWaalsContact O-CA 3.26Å; E42-R62 WeakPolarHBondContact O-CA 3.33Å; R62-R64 PolarHBondContact O-N 2.79Å
63	G	94.9	Very high	96.2	Very high	20 Å²	20	68 Å²	68	21%	0.206	34%	0.335	C	S	.	.	S	Bend	trans	95.5	-36.4	176.4	0	0	0	0	0	114.4	F61	F61-G63 VanDerWaalsContact CE1-CA 3.42Å; F61-G63 WeakPolarHBondContact CE1-O 3.32Å; F61-G63 VanDerWaalsContact CZ-O 3.32Å; F61-G63 WeakPolarHBondContact CZ-O 3.24Å; F61-G63 PolarHBondContact O-N 2.88Å
64	R	96.8	Very high	96.3	Very high	172 Å²	172	67.5 Å²	67.5	65%	0.649	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-127.8	152.4	-177.9	-55.7	-177	-171.9	-159.2	1.2	113.5	G38 H39 R62	G38-R64 CarbonylContact C-O 3.57Å; G38-R64 WeakPolarHBondContact CA-O 3.48Å; H39-R64 PolarHBondContact N-O 3.36Å; H39-R64 WeakPolarHBondContact O-CB 3.07Å; H39-R64 PolarHBondContact O-N 3.07Å; H39-R64 VanDerWaalsContact O-N 3.15Å; R62-R64 PolarHBondContact O-N 2.79Å
65	G	94.6	Very high	96.5	Very high	44 Å²	44	67.1 Å²	67.1	45%	0.454	33%	0.331	S	S	.	.			trans	70.9	-138.9	-176.6	0	0	0	0	0	112.1	F61 R70	F61-G65 WeakPolarHBondContact CE2-O 3Å; F61-G65 WeakPolarHBondContact CZ-O 2.96Å; G65-R70 PolarHBondContact O-NH1 3.18Å
66	G	94.2	Very high	96.5	Very high	19 Å²	19	64.5 Å²	64.5	20%	0.196	32%	0.321	C	S	.	.			trans	74.8	-165.4	-169.8	0	0	0	0	0	112
67	N	96.1	Very high	96.5	Very high	33 Å²	33	64.1 Å²	64.1	18%	0.176	32%	0.318	C	S	.	.			trans	-126.8	-170.7	171.4	58.6	36	0	0	0	109.4	K33 P34 N69 R70	K33-N67 HydrophobicContact CB-CB 4.48Å; P34-N67 PolarHBondContact O-ND2 3.07Å; N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.84Å; N67-R70 PolarHBondContact O-NH1 3.41Å
68	K	95.4	Very high	96.4	Very high	128 Å²	128	65.6 Å²	65.6	56%	0.557	32%	0.324	S	S	*	.	S	Bend	trans	-80.2	-9.7	-178.4	-68.5	-173.5	176.4	-166.7	0	114	P25 I30 R70	P25-K68 VanDerWaalsContact CD-NZ 3.28Å; P25-K68 HydrophobicContact CG-CD 3.52Å; I30-K68 HydrophobicContact CB-CB 4.49Å; I30-K68 HydrophobicContact CG1-CB 4.02Å; I30-K68 HydrophobicContact CG1-CD 4.39Å; I30-K68 HydrophobicContact CG2-CB 3.95Å; I30-K68 VanDerWaalsContact CG2-O 3.26Å; I30-K68 WeakPolarHBondContact CG2-O 3.29Å; K68-R70 PolarHBondContact O-N 2.86Å
69	N	97.4	Very high	96.3	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	32%	0.315	C	S	.	.			trans	-74.9	64.9	174.4	-166.1	5.2	0	0	0	109.7	I30 K33 Y48 Y49 N67 F71	I30-N69 WeakPolarHBondContact O-CB 3.29Å; K33-N69 HydrophobicContact CB-CB 4.24Å; K33-N69 PolarHBondContact O-ND2 2.95Å; Y48-N69 VanDerWaalsContact CB-O 3.24Å; Y48-N69 WeakPolarHBondContact CB-O 3.47Å; Y49-N69 PolarHBondContact N-OD1 3.36Å; Y49-N69 PolarHBondContact O-ND2 2.03Å; N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.84Å; N69-F71 WeakPolarHBondContact OD1-CE2 3.32Å
70	R	97.1	Very high	96.1	Very high	69 Å²	69	67.7 Å²	67.7	26%	0.26	32%	0.324	S	S	.	.			trans	-157.4	108.7	-172	-177.2	175.5	66.3	-128.7	1.6	109.5	R46 F47 F59 F61 G65 N67 K68	R46-R70 HydrophobicContact CB-CG 3.74Å; R46-R70 HydrophobicContact CG-CG 3.79Å; F47-R70 CarbonylContact O-C 3.52Å; F47-R70 VanDerWaalsContact O-CA 3.32Å; F47-R70 WeakPolarHBondContact O-CA 3.38Å; F59-R70 HydrophobicContact CE1-CB 4.37Å; F59-R70 HydrophobicContact CE1-CG 4.03Å; F59-R70 HydrophobicContact CZ-CB 3.96Å; F59-R70 HydrophobicContact CZ-CG 3.63Å; F61-R70 VanDerWaalsContact CG-CD 3.43Å; F61-R70 VanDerWaalsContact CZ-CZ 3.45Å; G65-R70 PolarHBondContact O-NH1 3.18Å; N67-R70 PolarHBondContact O-NH1 3.41Å; K68-R70 PolarHBondContact O-N 2.86Å
71	F	97.5	Very high	96	Very high	12 Å²	12	65.8 Å²	65.8	5%	0.053	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-116.5	157	-175.9	-53.3	-78.1	0	0	0	110.4	I30 R46 F47 N69 E76 C77 V80	I30-F71 HydrophobicContact CG2-CZ 3.92Å; R46-F71 WeakPolarHBondContact CA-O 3.47Å; R46-F71 WeakPolarHBondContact CB-O 3.4Å; R46-F71 WeakPolarHBondContact CD-O 3.39Å; F47-F71 HydrophobicContact CB-CB 4.48Å; F47-F71 PolarHBondContact N-O 3.49Å; F47-F71 PolarHBondContact O-N 3.2Å; N69-F71 WeakPolarHBondContact OD1-CE2 3.32Å; F71-E76 HydrophobicContact CB-CB 4.31Å; F71-E76 HydrophobicContact CB-CG 4.25Å; F71-E76 HydrophobicContact CD1-CG 3.96Å; F71-C77 HydrophobicContact CB-CB 3.81Å; F71-C77 HydrophobicContact CD2-CB 3.34Å; F71-C77 VanDerWaalsContact CD2-SG 3.56Å; F71-C77 HydrophobicContact CE2-CB 4.05Å; F71-C77 HydrophobicContact CG-CB 3.68Å; F71-V80 HydrophobicContact CD1-CG2 4.41Å; F71-V80 HydrophobicContact CE1-CB 3.72Å; F71-V80 HydrophobicContact CE1-CG1 3.82Å; F71-V80 HydrophobicContact CE1-CG2 3.84Å; F71-V80 HydrophobicContact CZ-CB 3.96Å; F71-V80 HydrophobicContact CZ-CG1 3.88Å
72	R	96.7	Very high	95.6	Very high	203 Å²	203	69.1 Å²	69.1	77%	0.766	33%	0.329	S	S	*	.	S	Bend	trans	-82	-33	-178.5	-173.6	177.4	179.9	174.8	-1	111.8	E76	R72-E76 PolarHBondContact N-OE2 2.84Å
73	T	97.6	Very high	94.6	Very high	65 Å²	65	67 Å²	67	40%	0.399	33%	0.331	S	S	.	.	S	Bend	trans	-128.9	157.8	179.5	64.4	0	0	0	0	110.8	E76 C77	T73-E76 PolarHBondContact O-N 2.77Å; T73-E76 VanDerWaalsContact OG1-CB 3.3Å; T73-E76 WeakPolarHBondContact OG1-CB 3.3Å; T73-E76 PolarHBondContact OG1-N 2.91Å; T73-E76 VanDerWaalsContact OG1-N 3.17Å; T73-C77 PolarHBondContact O-N 3.2Å
74	E	96	Very high	93.1	Very high	91 Å²	91	73.5 Å²	73.5	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-45.6	174.8	-171.2	177.7	-178.7	0	0	111.3	F47 C56 E76 C77 Q78	F47-E74 HydrophobicContact CD1-CB 3.9Å; F47-E74 HydrophobicContact CD1-CG 4.22Å; F47-E74 HydrophobicContact CE1-CB 3.76Å; F47-E74 HydrophobicContact CE1-CG 4.23Å; F47-E74 HydrophobicContact CG-CB 4.33Å; F47-E74 HydrophobicContact CZ-CB 4.08Å; C56-E74 HydrophobicContact CB-CG 4.11Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.07Å; E74-C77 WeakPolarHBondContact O-CB 3.09Å; E74-C77 PolarHBondContact O-N 3.3Å; E74-Q78 HydrophobicContact CG-CG 4.32Å; E74-Q78 WeakPolarHBondContact O-CG 3.4Å; E74-Q78 PolarHBondContact O-N 3.17Å; E74-Q78 PolarHBondContact OE1-NE2 3.16Å
75	D	95.9	Very high	91.1	Very high	96 Å²	96	74 Å²	74	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-37	177	179	69.4	0	0	0	112.4	Q78 R79	D75-Q78 PolarHBondContact O-N 2.63Å; D75-R79 VanDerWaalsContact O-CB 3.27Å; D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 PolarHBondContact O-N 2.92Å; D75-R79 IonicContact OD2-CZ 3.68Å; D75-R79 IonicContact OD2-NH2 2.63Å; D75-R79 PolarHBondContact OD2-NH2 3.15Å
76	E	95.7	Very high	88.9	Confident	66 Å²	66	79.8 Å²	79.8	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-44.9	173.8	-176.2	-170.8	-168.5	0	0	112.2	F71 R72 T73 E74 R79 V80	F71-E76 HydrophobicContact CB-CB 4.31Å; F71-E76 HydrophobicContact CB-CG 4.25Å; F71-E76 HydrophobicContact CD1-CG 3.96Å; R72-E76 PolarHBondContact N-OE2 2.84Å; T73-E76 PolarHBondContact O-N 2.77Å; T73-E76 VanDerWaalsContact OG1-CB 3.3Å; T73-E76 WeakPolarHBondContact OG1-CB 3.3Å; T73-E76 PolarHBondContact OG1-N 2.91Å; T73-E76 VanDerWaalsContact OG1-N 3.17Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.07Å; E76-R79 PolarHBondContact O-N 2.87Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å; E76-V80 PolarHBondContact O-N 3.45Å
77	C	96.9	Very high	86.3	Confident	0 Å²	0	90 Å²	90	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-61.1	-46.5	176.1	175.8	0	0	0	0	111.5	F47 C56 F71 T73 E74 V80 C81	F47-C77 HydrophobicContact CB-CB 4.15Å; C56-C77 HydrophobicContact CB-CB 3.69Å; C56-C77 WeakPolarHBondContact CB-SG 3.29Å; C56-C77 WeakPolarHBondContact SG-CB 3.22Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.37Å; F71-C77 HydrophobicContact CB-CB 3.81Å; F71-C77 HydrophobicContact CD2-CB 3.34Å; F71-C77 VanDerWaalsContact CD2-SG 3.56Å; F71-C77 HydrophobicContact CE2-CB 4.05Å; F71-C77 HydrophobicContact CG-CB 3.68Å; T73-C77 PolarHBondContact O-N 3.2Å; E74-C77 WeakPolarHBondContact O-CB 3.09Å; E74-C77 PolarHBondContact O-N 3.3Å; C77-V80 PolarHBondContact O-N 3.23Å; C77-C81 VanDerWaalsContact O-CB 3.31Å; C77-C81 WeakPolarHBondContact O-CB 3.32Å; C77-C81 PolarHBondContact O-N 2.91Å
78	Q	94.9	Very high	85.8	Confident	73 Å²	73	92.8 Å²	92.8	34%	0.341	46%	0.455	S	S	.	.	H	α-helix	trans	-64.1	-42.6	178.9	-69	179.4	-9.1	0	0	110.7	C56 E74 D75 M82 S83	C56-Q78 HydrophobicContact CB-CG 4.26Å; C56-Q78 PolarHBondContact SG-N 2.77Å; C56-Q78 VanDerWaalsContact SG-N 3.36Å; E74-Q78 HydrophobicContact CG-CG 4.32Å; E74-Q78 WeakPolarHBondContact O-CG 3.4Å; E74-Q78 PolarHBondContact O-N 3.17Å; E74-Q78 PolarHBondContact OE1-NE2 3.16Å; D75-Q78 PolarHBondContact O-N 2.63Å; Q78-M82 HydrophobicContact CB-SD 3.97Å; Q78-M82 HydrophobicContact CG-CE 4.06Å; Q78-M82 HydrophobicContact CG-SD 3.75Å; Q78-M82 CarbonylContact O-C 3.54Å; Q78-M82 WeakPolarHBondContact O-CA 3.22Å; Q78-M82 WeakPolarHBondContact O-CB 3.26Å; Q78-M82 PolarHBondContact O-N 2.93Å; Q78-S83 PolarHBondContact O-N 2.99Å
79	R	94.6	Very high	85.3	Confident	110 Å²	110	90.9 Å²	90.9	42%	0.415	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-53.4	175.4	-160.4	-176	-33.9	92.3	6	110.7	D75 E76 C81 S83	D75-R79 VanDerWaalsContact O-CB 3.27Å; D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 PolarHBondContact O-N 2.92Å; D75-R79 IonicContact OD2-CZ 3.68Å; D75-R79 IonicContact OD2-NH2 2.63Å; D75-R79 PolarHBondContact OD2-NH2 3.15Å; E76-R79 PolarHBondContact O-N 2.87Å; R79-C81 PolarHBondContact O-N 2.8Å; R79-S83 WeakPolarHBondContact O-CA 3.45Å; R79-S83 WeakPolarHBondContact O-CB 3.16Å; R79-S83 PolarHBondContact O-N 3.22Å; R79-S83 PolarHBondContact O-OG 2.86Å
80	V	93.7	Very high	84.6	Confident	45 Å²	45	95.9 Å²	95.9	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-45.2	-176.3	176.1	0	0	0	0	112	P27 F71 E76 C77	P27-V80 HydrophobicContact CB-CG1 4.26Å; P27-V80 WeakPolarHBondContact CB-O 3.37Å; F71-V80 HydrophobicContact CD1-CG2 4.41Å; F71-V80 HydrophobicContact CE1-CB 3.72Å; F71-V80 HydrophobicContact CE1-CG1 3.82Å; F71-V80 HydrophobicContact CE1-CG2 3.84Å; F71-V80 HydrophobicContact CZ-CB 3.96Å; F71-V80 HydrophobicContact CZ-CG1 3.88Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å; E76-V80 PolarHBondContact O-N 3.45Å; C77-V80 PolarHBondContact O-N 3.23Å
81	C	95.1	Very high	83.9	Confident	21 Å²	21	97.5 Å²	97.5	14%	0.142	49%	0.487	C	S	.	.	H	α-helix	trans	-96.5	-15.5	-170.4	-60.1	0	0	0	0	114.9	C31 Y49 C77 R79	C31-C81 HydrophobicContact CB-CB 3.66Å; C31-C81 WeakPolarHBondContact CB-SG 3.05Å; C31-C81 WeakPolarHBondContact SG-CA 3.49Å; C31-C81 WeakPolarHBondContact SG-CB 2.95Å; C31-C81 CovalentContact SG-SG 2.02Å; C31-C81 PolarHBondContact SG-SG 3.34Å; Y49-C81 WeakPolarHBondContact CB-SG 3.28Å; Y49-C81 HydrophobicContact CD1-CB 3.99Å; Y49-C81 HydrophobicContact CD2-CB 3.37Å; Y49-C81 HydrophobicContact CE1-CB 4.39Å; Y49-C81 HydrophobicContact CE2-CB 3.85Å; Y49-C81 HydrophobicContact CG-CB 3.42Å; Y49-C81 VanDerWaalsContact CG-CB 3.42Å; C77-C81 VanDerWaalsContact O-CB 3.31Å; C77-C81 WeakPolarHBondContact O-CB 3.32Å; C77-C81 PolarHBondContact O-N 2.91Å; R79-C81 PolarHBondContact O-N 2.8Å
82	M	89.6	Confident	83.1	Confident	76 Å²	76	102.9 Å²	102.9	37%	0.374	51%	0.514	S	S	.	.	H	α-helix	trans	-122.6	-11.1	-179	-46	175.3	-179.2	0	0	113.2	Y49 N54 C56 Q78 N84	Y49-M82 HydrophobicContact CD2-CE 3.93Å; Y49-M82 HydrophobicContact CD2-CG 4.4Å; Y49-M82 HydrophobicContact CE2-CE 3.66Å; Y49-M82 HydrophobicContact CE2-CG 3.82Å; N54-M82 WeakPolarHBondContact O-CE 3.38Å; C56-M82 HydrophobicContact CB-CE 4.46Å; Q78-M82 HydrophobicContact CB-SD 3.97Å; Q78-M82 HydrophobicContact CG-CE 4.06Å; Q78-M82 HydrophobicContact CG-SD 3.75Å; Q78-M82 CarbonylContact O-C 3.54Å; Q78-M82 WeakPolarHBondContact O-CA 3.22Å; Q78-M82 WeakPolarHBondContact O-CB 3.26Å; Q78-M82 PolarHBondContact O-N 2.93Å; M82-N84 PolarHBondContact O-N 2.79Å; M82-N84 VanDerWaalsContact O-N 3.1Å
83	S	76.7	Confident	82.1	Confident	64 Å²	64	96.2 Å²	96.2	45%	0.448	50%	0.497	S	S	.	.	S	Bend	trans	-84.2	39.8	178.7	90.6	0	0	0	0	114.5	Q78 R79	Q78-S83 PolarHBondContact O-N 2.99Å; R79-S83 WeakPolarHBondContact O-CA 3.45Å; R79-S83 WeakPolarHBondContact O-CB 3.16Å; R79-S83 PolarHBondContact O-N 3.22Å; R79-S83 PolarHBondContact O-OG 2.86Å
84	N	62.2	Low	81	Confident	156 Å²	156	98.4 Å²	98.4	83%	0.834	50%	0.504	S	S	*	.			trans	168.6	120.4	138.1	-81.5	-15.2	0	0	0	111.7	M82	M82-N84 PolarHBondContact O-N 2.79Å; M82-N84 VanDerWaalsContact O-N 3.1Å
85	E	55.2	Low	79.9	Confident	181 Å²	181	99 Å²	99	85%	0.846	51%	0.51	S	S	*	.			trans	-53	148.3	147.3	-60.9	-172.3	147.7	0	0	110.2	N87	E85-N87 PolarHBondContact O-N 2.91Å
86	N	49	Very low	78.6	Confident	166 Å²	166	99.3 Å²	99.3	89%	0.888	51%	0.51	S	S	*	.			trans	-14.5	119.4	169.6	-53.6	-64	0	0	0	116.5
87	N	39.3	Very low	77	Confident	233 Å²	233	102.3 Å²	102.3	100%	1.246	53%	0.528	S	S	*	.			trans	-141	0	136.7	-170.2	24.3	0	0	0	109.5	E85	E85-N87 PolarHBondContact O-N 2.91Å

Retrieved 87 of 87 residues in 170.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).