A0A087WTF9_HUMAN Loading...

Brain expressed associated with NEDD4 1

AlphaFold DB , UniProt , Accession A0A087WTF9, Species HUMAN (Homo sapiens, Human), Gene BEAN1, Length 113 aa.

						>A0A087WTF9_HUMAN|A0A087WTF9|BEAN1
MSFKRPCPCKFPPHILPPLGARQGQSLESSCRERLEVFGQRTAGVQPEANVACWVGRGQHGRPLTSARCSLRTENRTLAHSSVSALPEVWIGVPLRDVNGMTHTHTQIKDYMA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	25.3	Very low	233 Å²	233	164.5 Å²	164.5	100%	1.148	84%	0.839	S	S	*	*				0	111.1	0	-70.9	174.5	172.7	0	0	107.9	F3	M1-F3 PolarHBondContact O-N 2.72Å
2	S	21.7	Very low	25.2	Very low	117 Å²	117	159.3 Å²	159.3	82%	0.818	82%	0.824	S	S	*	*			trans	-86	111.9	-170.6	-163	0	0	0	0	110	K4	S2-K4 PolarHBondContact O-N 3.25Å
3	F	23.5	Very low	25.6	Very low	197 Å²	197	155.8 Å²	155.8	86%	0.864	82%	0.818	S	S	*	*			trans	-69.5	97.5	171.3	-83.1	-92.4	0	0	0	108.6	M1 R5	M1-F3 PolarHBondContact O-N 2.72Å; F3-R5 PolarHBondContact O-N 3.13Å; F3-R5 VanDerWaalsContact O-N 3.13Å
4	K	22.4	Very low	25.6	Very low	195 Å²	195	156.7 Å²	156.7	85%	0.848	82%	0.815	S	S	*	*			trans	-63.2	112.3	168.7	-75.5	-176.6	177.4	179.8	0	108.1	S2	S2-K4 PolarHBondContact O-N 3.25Å
5	R	23.7	Very low	26.2	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-54.1	129.9	172	-61.7	-179.7	-176	-169.7	0.7	108.8	F3 C7	F3-R5 PolarHBondContact O-N 3.13Å; F3-R5 VanDerWaalsContact O-N 3.13Å; R5-C7 PolarHBondContact O-N 2.73Å
6	P	27.7	Very low	26.3	Very low	127 Å²	127	154.6 Å²	154.6	83%	0.825	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.3	126.8	168.7	-11.9	27.1	0	0	0	108.3
7	C	23.2	Very low	26.3	Very low	106 Å²	106	151.3 Å²	151.3	72%	0.716	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-51.4	147.8	178.7	-66.9	0	0	0	0	112	R5 C9	R5-C7 PolarHBondContact O-N 2.73Å; C7-C9 PolarHBondContact O-N 3.47Å; C7-C9 VanDerWaalsContact O-N 3.11Å
8	P	25.3	Very low	26.8	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	79%	0.791	S	S	*	*			trans	-66.7	114.4	171	29.5	-30.3	0	0	0	106.9	K10	P8-K10 PolarHBondContact O-N 2.93Å
9	C	27.5	Very low	26.9	Very low	106 Å²	106	150.8 Å²	150.8	72%	0.716	80%	0.799	S	S	*	*			trans	-63.9	90.5	173.5	-47.2	0	0	0	0	107.8	C7 F11	C7-C9 PolarHBondContact O-N 3.47Å; C7-C9 VanDerWaalsContact O-N 3.11Å; C9-F11 PolarHBondContact O-N 2.94Å
10	K	23.1	Very low	27	Very low	193 Å²	193	146.7 Å²	146.7	84%	0.839	79%	0.794	S	S	*	*			trans	-63.6	103.4	161.3	-79.9	-177.5	175.8	-179.5	0	105.9	P8 P12	P8-K10 PolarHBondContact O-N 2.93Å; K10-P12 WeakPolarHBondContact O-CD 3.34Å
11	F	30.4	Very low	27.4	Very low	188 Å²	188	143.7 Å²	143.7	83%	0.825	79%	0.789	S	S	*	*			trans	-56.1	124.8	165.8	-82.6	-92.4	0	0	0	108.1	C9	C9-F11 PolarHBondContact O-N 2.94Å
12	P	23.6	Very low	27.4	Very low	101 Å²	101	144.2 Å²	144.2	66%	0.656	78%	0.778	S	S	*	*			trans	-68.7	136.7	169.6	27.5	-29.7	0	0	0	108.4	K10 H14	K10-P12 WeakPolarHBondContact O-CD 3.34Å; P12-H14 PolarHBondContact O-N 2.87Å; P12-H14 VanDerWaalsContact O-N 3.08Å
13	P	30.9	Very low	27.8	Very low	115 Å²	115	148.1 Å²	148.1	75%	0.747	78%	0.784	S	S	*	*	S	Bend	trans	-72	0.1	-175.5	29.6	-35.1	0	0	0	113.8	I15	P13-I15 VanDerWaalsContact C-N 3.3Å; P13-I15 PolarHBondContact O-N 2.82Å; P13-I15 VanDerWaalsContact O-N 3.13Å
14	H	25.6	Very low	28.1	Very low	168 Å²	168	142 Å²	142	78%	0.778	78%	0.776	S	S	*	*			trans	-91.4	70	177.9	-67.2	-64.4	0	0	0	110.5	P12 L16	P12-H14 PolarHBondContact O-N 2.87Å; P12-H14 VanDerWaalsContact O-N 3.08Å; H14-L16 PolarHBondContact O-N 3.47Å; H14-L16 VanDerWaalsContact O-N 3.13Å
15	I	34	Very low	28.5	Very low	130 Å²	130	141.6 Å²	141.6	67%	0.667	78%	0.777	S	S	*	*			trans	-61.5	108.4	155.3	-63.5	172.4	0	0	0	105.3	P13 W54	P13-I15 VanDerWaalsContact C-N 3.3Å; P13-I15 PolarHBondContact O-N 2.82Å; P13-I15 VanDerWaalsContact O-N 3.13Å; I15-W54 HydrophobicContact CG2-CZ3 4.45Å
16	L	29.2	Very low	29	Very low	149 Å²	149	135 Å²	135	78%	0.78	77%	0.767	S	S	*	*			trans	-49.1	138	170.8	-75	160.7	0	0	0	108.9	H14	H14-L16 PolarHBondContact O-N 3.47Å; H14-L16 VanDerWaalsContact O-N 3.13Å
17	P	25.2	Very low	29.2	Very low	99 Å²	99	133.3 Å²	133.3	64%	0.643	75%	0.75	S	S	*	*			trans	-60.7	148.5	178.8	27.7	-32.7	0	0	0	109.1	L19	P17-L19 PolarHBondContact O-N 3.48Å
18	P	35.5	Very low	29.7	Very low	114 Å²	114	136 Å²	136	74%	0.74	75%	0.752	S	S	*	*			trans	-66.5	99	-177.7	27.9	-32.7	0	0	0	108.9	G20	P18-G20 VanDerWaalsContact C-N 3.34Å; P18-G20 PolarHBondContact O-N 3.04Å
19	L	29.7	Very low	30	Very low	180 Å²	180	134 Å²	134	94%	0.942	74%	0.741	S	S	*	*	S	Bend	trans	-73.3	95.8	167.7	-88.3	162.9	0	0	0	108	P17	P17-L19 PolarHBondContact O-N 3.48Å
20	G	28.4	Very low	30.4	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	73%	0.727	S	S	*	*			trans	92.8	32.4	157.6	0	0	0	0	0	116.3	P18 R22	P18-G20 VanDerWaalsContact C-N 3.34Å; P18-G20 PolarHBondContact O-N 3.04Å; G20-R22 VanDerWaalsContact C-N 3.27Å; G20-R22 PolarHBondContact O-N 3.48Å
21	A	35.4	Very low	31.3	Very low	84 Å²	84	123.5 Å²	123.5	69%	0.694	69%	0.693	S	S	*	*			trans	-62.5	100.7	152	0	0	0	0	0	106.1	Q23	A21-Q23 VanDerWaalsContact C-N 3.31Å; A21-Q23 PolarHBondContact O-N 3.08Å
22	R	30.2	Very low	31.6	Very low	243 Å²	243	122.6 Å²	122.6	92%	0.917	68%	0.684	S	S	*	*			trans	-54	108.3	166.7	-87.7	-171.8	172.6	-165.7	-1.4	105.8	G20 G24	G20-R22 VanDerWaalsContact C-N 3.27Å; G20-R22 PolarHBondContact O-N 3.48Å; R22-G24 PolarHBondContact O-N 3.13Å
23	Q	29	Very low	32.3	Very low	199 Å²	199	124.1 Å²	124.1	93%	0.93	68%	0.682	S	S	*	*	S	Bend	trans	-51.5	121	-177	-166.2	174.2	39.1	0	0	108.5	A21	A21-Q23 VanDerWaalsContact C-N 3.31Å; A21-Q23 PolarHBondContact O-N 3.08Å
24	G	31.2	Very low	32.8	Very low	68 Å²	68	125.5 Å²	125.5	70%	0.701	67%	0.673	S	S	*	*	S	Bend	trans	129	-35.9	142.6	0	0	0	0	0	118.4	R22	R22-G24 PolarHBondContact O-N 3.13Å
25	Q	30.4	Very low	33.6	Very low	188 Å²	188	118.4 Å²	118.4	88%	0.879	64%	0.64	S	S	*	*	S	Bend	trans	-147.6	132.8	-166.9	-69.8	-175.7	-7.3	0	0	114.5
26	S	32.8	Very low	33.8	Very low	94 Å²	94	116.5 Å²	116.5	66%	0.657	63%	0.629	S	S	*	*	S	Bend	trans	79.5	39.7	164.5	-159.8	0	0	0	0	118.4
27	L	33.4	Very low	34.4	Very low	90 Å²	90	112.6 Å²	112.6	47%	0.471	61%	0.611	S	S	.	*	S	Bend	trans	-110.5	-32.6	160.5	-111.3	99.2	0	0	0	113	S29 C31 W90	L27-S29 PolarHBondContact O-N 3.03Å; L27-C31 WeakPolarHBondContact O-CB 3.41Å; L27-C31 PolarHBondContact O-N 3.11Å; L27-C31 VanDerWaalsContact O-N 3.16Å; L27-C31 PolarHBondContact O-SG 2.91Å; L27-C31 VanDerWaalsContact O-SG 3.35Å; L27-W90 HydrophobicContact CD1-CH2 4.43Å; L27-W90 HydrophobicContact CD2-CE3 4.42Å; L27-W90 HydrophobicContact CD2-CH2 3.35Å; L27-W90 HydrophobicContact CD2-CZ3 3.24Å; L27-W90 HydrophobicContact CG-CH2 3.99Å; L27-W90 HydrophobicContact CG-CZ3 4.28Å
28	E	32.8	Very low	35	Very low	164 Å²	164	111.3 Å²	111.3	77%	0.766	60%	0.595	S	S	*	*	H	α-helix	trans	-63.8	-39.5	-179.6	-72.7	-164.2	128.7	0	0	112.9	R32	E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 PolarHBondContact O-N 3.05Å
29	S	31.8	Very low	35.1	Very low	72 Å²	72	106.7 Å²	106.7	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-47.4	-178.2	51.5	0	0	0	0	112.5	L27 R32 E33	L27-S29 PolarHBondContact O-N 3.03Å; S29-R32 PolarHBondContact O-N 3.09Å; S29-E33 WeakPolarHBondContact O-CB 3.4Å; S29-E33 PolarHBondContact O-N 3.24Å
30	S	37.1	Very low	35.6	Very low	61 Å²	61	106 Å²	106	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-70.2	-36.8	-179.2	-169.5	0	0	0	0	112.4	R34	S30-R34 WeakPolarHBondContact O-CB 3.13Å; S30-R34 WeakPolarHBondContact O-CG 3.4Å; S30-R34 PolarHBondContact O-N 3.39Å
31	C	40.1	Very low	36	Very low	19 Å²	19	112.9 Å²	112.9	13%	0.128	57%	0.565	C	S	.	*	H	α-helix	trans	-64.9	-45.2	172.6	-75.7	0	0	0	0	111.7	L27 R34 L35 V51 C53	L27-C31 WeakPolarHBondContact O-CB 3.41Å; L27-C31 PolarHBondContact O-N 3.11Å; L27-C31 VanDerWaalsContact O-N 3.16Å; L27-C31 PolarHBondContact O-SG 2.91Å; L27-C31 VanDerWaalsContact O-SG 3.35Å; C31-R34 PolarHBondContact O-N 3.37Å; C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 WeakPolarHBondContact O-CD1 3.09Å; C31-L35 WeakPolarHBondContact O-CG 2.9Å; C31-L35 PolarHBondContact O-N 3.19Å; C31-V51 HydrophobicContact CB-CG1 4.45Å; C31-C53 HydrophobicContact CB-CB 4.48Å; C31-C53 WeakPolarHBondContact CB-SG 3.43Å; C31-C53 WeakPolarHBondContact SG-CB 3.48Å; C31-C53 CovalentContact SG-SG 2.04Å; C31-C53 PolarHBondContact SG-SG 3.15Å
32	R	38	Very low	35.9	Very low	168 Å²	168	110.9 Å²	110.9	63%	0.634	54%	0.544	S	S	*	.	H	α-helix	trans	-63.8	-47.2	-178.4	-176.1	175.4	178.7	162.1	2.9	112.2	E28 S29 R34 L35 E36	E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 PolarHBondContact O-N 3.05Å; S29-R32 PolarHBondContact O-N 3.09Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.43Å; R32-L35 PolarHBondContact O-N 3.04Å; R32-L35 VanDerWaalsContact O-N 3.15Å; R32-E36 WeakPolarHBondContact CG-OE1 3.39Å; R32-E36 IonicContact NE-OE1 3.24Å; R32-E36 PolarHBondContact NE-OE1 3.11Å; R32-E36 WeakPolarHBondContact O-CG 3.37Å; R32-E36 PolarHBondContact O-N 2.77Å
33	E	38.1	Very low	36.2	Very low	133 Å²	133	104.6 Å²	104.6	62%	0.621	54%	0.544	S	S	*	.	H	α-helix	trans	-60	-42.5	178.6	-170.7	178.8	-164.4	0	0	111.8	S29 L35 E36 V37	S29-E33 WeakPolarHBondContact O-CB 3.4Å; S29-E33 PolarHBondContact O-N 3.24Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.21Å; E33-E36 PolarHBondContact O-N 3.13Å; E33-V37 WeakPolarHBondContact O-CG2 3.28Å; E33-V37 PolarHBondContact O-N 2.86Å
34	R	41.9	Very low	36.4	Very low	145 Å²	145	98 Å²	98	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-70.3	-28.4	178	-74.5	-179.2	159.5	-155.7	-4.6	113.3	S30 C31 R32 F38	S30-R34 WeakPolarHBondContact O-CB 3.13Å; S30-R34 WeakPolarHBondContact O-CG 3.4Å; S30-R34 PolarHBondContact O-N 3.39Å; C31-R34 PolarHBondContact O-N 3.37Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.43Å; R34-F38 PolarHBondContact O-N 3.32Å
35	L	41	Very low	36.6	Very low	18 Å²	18	96.3 Å²	96.3	9%	0.094	51%	0.506	C	S	.	.	H	α-helix	trans	-79.5	-34.6	176	-74.4	172.6	0	0	0	113.3	C31 R32 E33 V37 F38 G39 P47 V51 V93	C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 WeakPolarHBondContact O-CD1 3.09Å; C31-L35 WeakPolarHBondContact O-CG 2.9Å; C31-L35 PolarHBondContact O-N 3.19Å; R32-L35 PolarHBondContact O-N 3.04Å; R32-L35 VanDerWaalsContact O-N 3.15Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.21Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-F38 PolarHBondContact O-N 3.45Å; L35-F38 VanDerWaalsContact O-N 3.17Å; L35-G39 PolarHBondContact O-N 3.35Å; L35-P47 HydrophobicContact CB-CB 4.3Å; L35-V51 HydrophobicContact CD1-CB 3.82Å; L35-V51 HydrophobicContact CD1-CG1 3.11Å; L35-V51 HydrophobicContact CD1-CG2 3.37Å; L35-V93 HydrophobicContact CD2-CB 4.05Å; L35-V93 HydrophobicContact CD2-CG1 3.4Å; L35-V93 HydrophobicContact CD2-CG2 3.45Å; L35-V93 VanDerWaalsContact CD2-CG2 3.45Å
36	E	39.1	Very low	36.9	Very low	91 Å²	91	95.3 Å²	95.3	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-41.7	170.6	-74.2	174.6	-173	0	0	110.3	R32 E33 F38 G39 Q40	R32-E36 WeakPolarHBondContact CG-OE1 3.39Å; R32-E36 IonicContact NE-OE1 3.24Å; R32-E36 PolarHBondContact NE-OE1 3.11Å; R32-E36 WeakPolarHBondContact O-CG 3.37Å; R32-E36 PolarHBondContact O-N 2.77Å; E33-E36 PolarHBondContact O-N 3.13Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 3.39Å; E36-G39 PolarHBondContact O-N 2.99Å; E36-Q40 WeakPolarHBondContact O-CB 3.42Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.16Å; E36-Q40 PolarHBondContact O-N 3.02Å
37	V	41.3	Very low	37	Very low	66 Å²	66	93.1 Å²	93.1	40%	0.4	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-36.3	172.9	175.1	0	0	0	0	112.4	E33 L35 R41	E33-V37 WeakPolarHBondContact O-CG2 3.28Å; E33-V37 PolarHBondContact O-N 2.86Å; L35-V37 VanDerWaalsContact C-N 3.29Å; V37-R41 WeakPolarHBondContact O-CG 3.41Å; V37-R41 PolarHBondContact O-N 3.41Å
38	F	38.9	Very low	37.2	Very low	72 Å²	72	91.5 Å²	91.5	32%	0.316	48%	0.475	S	S	.	.	H	α-helix	trans	-71	-45.2	177.2	-170.9	-92.9	0	0	0	112.2	R34 L35 E36 Q40 R41 T42 L95	R34-F38 PolarHBondContact O-N 3.32Å; L35-F38 PolarHBondContact O-N 3.45Å; L35-F38 VanDerWaalsContact O-N 3.17Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 3.39Å; F38-Q40 PolarHBondContact O-N 3.21Å; F38-R41 PolarHBondContact O-N 3.44Å; F38-R41 VanDerWaalsContact O-N 3.16Å; F38-T42 HydrophobicContact CE1-CG2 4.28Å; F38-T42 HydrophobicContact CZ-CG2 4.43Å; F38-T42 PolarHBondContact O-N 3.35Å; F38-T42 VanDerWaalsContact O-N 3.1Å; F38-T42 PolarHBondContact O-OG1 3.13Å; F38-L95 HydrophobicContact CE1-CD1 4.13Å
39	G	37.1	Very low	37.2	Very low	17 Å²	17	88.3 Å²	88.3	18%	0.175	48%	0.476	C	S	.	.	H	α-helix	trans	-63.7	-37.4	176.6	0	0	0	0	0	112.8	L35 E36 R41 T42	L35-G39 PolarHBondContact O-N 3.35Å; E36-G39 PolarHBondContact O-N 2.99Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.05Å; G39-T42 CarbonylContact O-C 3.54Å; G39-T42 PolarHBondContact O-N 3.49Å
40	Q	39.2	Very low	37.2	Very low	166 Å²	166	91 Å²	91	78%	0.776	49%	0.485	S	S	*	.	H	α-helix	trans	-64.2	-30.8	173.5	-76.8	-179.9	-3.9	0	0	113.2	E36 F38	E36-Q40 WeakPolarHBondContact O-CB 3.42Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.16Å; E36-Q40 PolarHBondContact O-N 3.02Å; F38-Q40 PolarHBondContact O-N 3.21Å
41	R	36.7	Very low	36.9	Very low	212 Å²	212	89.8 Å²	89.8	80%	0.8	48%	0.475	S	S	*	.	H	α-helix	trans	-84.4	-14.8	177	-70.9	179.6	-178.2	-169.1	1.3	113.5	V37 F38 G39	V37-R41 WeakPolarHBondContact O-CG 3.41Å; V37-R41 PolarHBondContact O-N 3.41Å; F38-R41 PolarHBondContact O-N 3.44Å; F38-R41 VanDerWaalsContact O-N 3.16Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.05Å
42	T	34.6	Very low	36.5	Very low	42 Å²	42	90.9 Å²	90.9	26%	0.258	49%	0.485	S	S	.	.	S	Bend	trans	-114.4	90.8	178	36.1	0	0	0	0	109.6	F38 G39 G44 V45	F38-T42 HydrophobicContact CE1-CG2 4.28Å; F38-T42 HydrophobicContact CZ-CG2 4.43Å; F38-T42 PolarHBondContact O-N 3.35Å; F38-T42 VanDerWaalsContact O-N 3.1Å; F38-T42 PolarHBondContact O-OG1 3.13Å; G39-T42 CarbonylContact O-C 3.54Å; G39-T42 PolarHBondContact O-N 3.49Å; T42-G44 PolarHBondContact O-N 2.83Å; T42-V45 PolarHBondContact O-N 3.46Å
43	A	35.1	Very low	36.3	Very low	111 Å²	111	84.6 Å²	84.6	92%	0.917	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	116.2	177	0	0	0	0	0	110.7
44	G	34.4	Very low	36.2	Very low	61 Å²	61	85.6 Å²	85.6	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	8.3	176.7	0	0	0	0	0	116.6	T42	T42-G44 PolarHBondContact O-N 2.83Å
45	V	35.7	Very low	35.9	Very low	32 Å²	32	83.1 Å²	83.1	19%	0.194	47%	0.466	C	S	.	.			trans	-118	114.8	-179.3	-180	0	0	0	0	110.6	T42 L95	T42-V45 PolarHBondContact O-N 3.46Å; V45-L95 HydrophobicContact CG1-CB 4.33Å; V45-L95 HydrophobicContact CG1-CD1 3.87Å; V45-L95 HydrophobicContact CG1-CD2 3.33Å; V45-L95 HydrophobicContact CG1-CG 4.03Å
46	Q	35.2	Very low	35.8	Very low	167 Å²	167	83.8 Å²	83.8	78%	0.78	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-101.1	131.1	171.5	-70.3	-163.4	-2.4	0	0	110.7	E48	Q46-E48 PolarHBondContact O-N 2.92Å
47	P	36.5	Very low	35.5	Very low	48 Å²	48	88.4 Å²	88.4	31%	0.312	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-67.9	131.3	172.9	27.2	-30.7	0	0	0	109.7	L35	L35-P47 HydrophobicContact CB-CB 4.3Å
48	E	35.7	Very low	35.4	Very low	57 Å²	57	86 Å²	86	27%	0.266	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-68	144	174.7	-148.8	-167.7	163.7	0	0	110	Q46 N50 V51 R96	Q46-E48 PolarHBondContact O-N 2.92Å; E48-N50 PolarHBondContact O-N 3.16Å; E48-V51 WeakPolarHBondContact O-CG2 3.3Å; E48-V51 PolarHBondContact O-N 3.35Å; E48-R96 VanDerWaalsContact CD-NH2 3.34Å; E48-R96 IonicContact OE1-CZ 2.9Å; E48-R96 IonicContact OE1-NE 3.13Å; E48-R96 PolarHBondContact OE1-NE 2.76Å; E48-R96 VanDerWaalsContact OE1-NE 3.13Å; E48-R96 IonicContact OE1-NH1 3.59Å; E48-R96 IonicContact OE1-NH2 2.72Å; E48-R96 PolarHBondContact OE1-NH2 3.18Å; E48-R96 IonicContact OE2-CZ 3.31Å; E48-R96 VanDerWaalsContact OE2-CZ 3.31Å; E48-R96 IonicContact OE2-NE 2.73Å; E48-R96 PolarHBondContact OE2-NE 2.82Å; E48-R96 IonicContact OE2-NH2 3.25Å; E48-R96 PolarHBondContact OE2-NH2 3.12Å
49	A	32.8	Very low	35.2	Very low	97 Å²	97	90.5 Å²	90.5	80%	0.802	50%	0.501	S	S	*	.	S	Bend	trans	-59.1	-8.5	-176.6	0	0	0	0	0	115.1
50	N	31.8	Very low	35	Very low	127 Å²	127	96.4 Å²	96.4	68%	0.679	52%	0.524	S	S	*	.			trans	-114.9	61.8	178.7	-65.3	-39.2	0	0	0	110.9	E48 A52	E48-N50 PolarHBondContact O-N 3.16Å; N50-A52 PolarHBondContact O-N 3.02Å
51	V	32.4	Very low	34.8	Very low	37 Å²	37	90.1 Å²	90.1	22%	0.224	50%	0.504	C	S	.	.			trans	-66	104.8	172.4	177.3	0	0	0	0	108.8	C31 L35 E48 C53	C31-V51 HydrophobicContact CB-CG1 4.45Å; L35-V51 HydrophobicContact CD1-CB 3.82Å; L35-V51 HydrophobicContact CD1-CG1 3.11Å; L35-V51 HydrophobicContact CD1-CG2 3.37Å; E48-V51 WeakPolarHBondContact O-CG2 3.3Å; E48-V51 PolarHBondContact O-N 3.35Å; V51-C53 PolarHBondContact O-N 3.38Å
52	A	31.4	Very low	34.8	Very low	41 Å²	41	89.1 Å²	89.1	34%	0.339	50%	0.5	S	S	.	.			trans	-86.3	101.6	168.2	0	0	0	0	0	109.3	N50 W54	N50-A52 PolarHBondContact O-N 3.02Å; A52-W54 HydrophobicContact CB-CZ2 4.26Å; A52-W54 PolarHBondContact O-N 2.93Å; A52-W54 PolarHBondContact O-NE1 2.04Å
53	C	33.3	Very low	35.2	Very low	37 Å²	37	91.2 Å²	91.2	25%	0.25	51%	0.514	C	S	.	.			trans	-76.2	112.2	171.4	-41.7	0	0	0	0	108.8	C31 V51 W90	C31-C53 HydrophobicContact CB-CB 4.48Å; C31-C53 WeakPolarHBondContact CB-SG 3.43Å; C31-C53 WeakPolarHBondContact SG-CB 3.48Å; C31-C53 CovalentContact SG-SG 2.04Å; C31-C53 PolarHBondContact SG-SG 3.15Å; V51-C53 PolarHBondContact O-N 3.38Å; C53-W90 HydrophobicContact CB-CE3 3.97Å; C53-W90 HydrophobicContact CB-CZ3 4.2Å
54	W	35.1	Very low	35.6	Very low	153 Å²	153	86.5 Å²	86.5	58%	0.58	47%	0.474	S	S	*	.			trans	-95.9	126.7	176.8	-60.1	88	0	0	0	110.3	I15 A52 G56	I15-W54 HydrophobicContact CG2-CZ3 4.45Å; A52-W54 HydrophobicContact CB-CZ2 4.26Å; A52-W54 PolarHBondContact O-N 2.93Å; A52-W54 PolarHBondContact O-NE1 2.04Å; W54-G56 PolarHBondContact O-N 3.04Å
55	V	36.4	Very low	35.8	Very low	93 Å²	93	88 Å²	88	56%	0.564	47%	0.471	S	S	*	.	B	Isolated β-bridge	trans	-85.8	100.4	170.6	-179	0	0	0	0	107.5	W90	V55-W90 HydrophobicContact CG2-CE3 4.24Å; V55-W90 HydrophobicContact CG2-CH2 3.84Å; V55-W90 HydrophobicContact CG2-CZ3 3.5Å
56	G	38.3	Very low	36	Very low	33 Å²	33	87.9 Å²	87.9	34%	0.34	47%	0.471	S	S	.	.			trans	-87.9	123.8	173.7	0	0	0	0	0	110.7	W54	W54-G56 PolarHBondContact O-N 3.04Å
57	R	34.3	Very low	36.4	Very low	187 Å²	187	80.1 Å²	80.1	71%	0.706	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-91.6	138.8	157.3	-69.8	-179	177.1	-136.4	8.3	107.8	G61	R57-G61 WeakPolarHBondContact CD-O 3.38Å; R57-G61 PolarHBondContact NH1-O 3.45Å; R57-G61 VanDerWaalsContact NH1-O 3.13Å
58	G	38.4	Very low	36.6	Very low	15 Å²	15	82.6 Å²	82.6	16%	0.155	44%	0.439	C	S	.	.			trans	-60.2	174.6	172.8	0	0	0	0	0	111.5	H60 G61 R62	G58-H60 PolarHBondContact O-N 3.44Å; G58-G61 PolarHBondContact O-N 3.39Å; G58-R62 PolarHBondContact N-O 2.88Å
59	Q	35.9	Very low	36.9	Very low	167 Å²	167	81.6 Å²	81.6	78%	0.78	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-12.3	-171.8	-155.3	173.2	16.1	0	0	115.2
60	H	32.6	Very low	37.1	Very low	142 Å²	142	77.7 Å²	77.7	66%	0.657	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	22.8	179.4	-60.8	-64.1	0	0	0	114.5	G58 R62	G58-H60 PolarHBondContact O-N 3.44Å; H60-R62 HydrophobicContact CB-CG 4.41Å; H60-R62 PolarHBondContact O-N 3.29Å; H60-R62 VanDerWaalsContact O-N 3.13Å
61	G	33.9	Very low	37.6	Very low	34 Å²	34	73.4 Å²	73.4	35%	0.351	38%	0.382	S	S	.	.	S	Bend	trans	71.3	6.1	-179.2	0	0	0	0	0	114.1	R57 G58	R57-G61 WeakPolarHBondContact CD-O 3.38Å; R57-G61 PolarHBondContact NH1-O 3.45Å; R57-G61 VanDerWaalsContact NH1-O 3.13Å; G58-G61 PolarHBondContact O-N 3.39Å
62	R	37.7	Very low	37.7	Very low	190 Å²	190	78.7 Å²	78.7	72%	0.717	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-80.7	144.4	178.5	-66.4	-173.5	177.8	-135.9	-0.9	110.5	G58 H60 L64	G58-R62 PolarHBondContact N-O 2.88Å; H60-R62 HydrophobicContact CB-CG 4.41Å; H60-R62 PolarHBondContact O-N 3.29Å; H60-R62 VanDerWaalsContact O-N 3.13Å; R62-L64 PolarHBondContact O-N 3.17Å
63	P	41.9	Very low	38.1	Very low	86 Å²	86	78.7 Å²	78.7	56%	0.558	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-57.2	134.1	170.5	-18.7	30.5	0	0	0	109.7	T65	P63-T65 PolarHBondContact O-N 3.43Å
64	L	44	Very low	38.1	Very low	13 Å²	13	82.1 Å²	82.1	7%	0.068	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-65.6	120.5	168.8	-68	170.7	0	0	0	107.1	R62 V89 I108	R62-L64 PolarHBondContact O-N 3.17Å; L64-V89 HydrophobicContact CB-CB 3.85Å; L64-V89 HydrophobicContact CB-CG1 4.08Å; L64-V89 HydrophobicContact CB-CG2 4.49Å; L64-V89 VanDerWaalsContact O-CB 3.26Å; L64-V89 WeakPolarHBondContact O-CB 3.45Å; L64-V89 WeakPolarHBondContact O-CG2 3.26Å; L64-I108 HydrophobicContact CD1-CG2 4.3Å; L64-I108 HydrophobicContact CD2-CG2 3.92Å
65	T	39.3	Very low	38.2	Very low	93 Å²	93	81.5 Å²	81.5	57%	0.571	41%	0.414	S	S	*	.	S	Bend	trans	-83.9	-19.1	-179.9	52	0	0	0	0	112.2	P63 A85	P63-T65 PolarHBondContact O-N 3.43Å; T65-A85 PolarHBondContact O-N 3.19Å; T65-A85 VanDerWaalsContact O-N 3.15Å
66	S	39.6	Very low	38.2	Very low	28 Å²	28	86.7 Å²	86.7	20%	0.196	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.8	175.3	62	0	0	0	0	111.3	V83	S66-V83 CarbonylContact C-O 3.43Å; S66-V83 VanDerWaalsContact CA-O 3.27Å; S66-V83 WeakPolarHBondContact CA-O 3.4Å
67	A	43.5	Very low	38	Very low	5 Å²	5	89.1 Å²	89.1	4%	0.041	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.9	-178.5	0	0	0	0	0	110	S82 V83 V89 I91	A67-S82 WeakPolarHBondContact O-CA 3.25Å; A67-V83 HydrophobicContact CB-CB 4.31Å; A67-V83 PolarHBondContact N-O 2.98Å; A67-V83 PolarHBondContact O-N 2.92Å; A67-V89 HydrophobicContact CB-CG1 3.18Å; A67-I91 HydrophobicContact CB-CD1 3.08Å; A67-I91 HydrophobicContact CB-CG1 3.3Å
68	R	39.3	Very low	38.2	Very low	99 Å²	99	85 Å²	85	37%	0.374	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	110.9	165.9	-167.9	171.2	177.3	168.8	-2.1	110
69	C	42.8	Very low	38.3	Very low	36 Å²	36	86.4 Å²	86.4	24%	0.243	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.9	172.7	-55.9	0	0	0	0	108.3	S81 I91	C69-S81 PolarHBondContact N-O 2.87Å; C69-S81 PolarHBondContact O-N 3.37Å; C69-S81 VanDerWaalsContact O-O 3.08Å; C69-I91 WeakPolarHBondContact SG-CG2 3.1Å
70	S	37.9	Very low	38.5	Very low	15 Å²	15	83.2 Å²	83.2	11%	0.105	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.6	171.4	-57.7	0	0	0	0	108.1	A79 H80	S70-A79 WeakPolarHBondContact CA-O 3.43Å; S70-H80 PolarHBondContact OG-ND1 3.19Å
71	L	40.6	Very low	38.8	Very low	37 Å²	37	78.3 Å²	78.3	19%	0.194	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.6	171.5	-171.5	81.2	0	0	0	107.9	T73 A79 L95	L71-T73 HydrophobicContact CD2-CG2 4.1Å; L71-A79 HydrophobicContact CB-CB 4.36Å; L71-A79 PolarHBondContact N-O 3.4Å; L71-A79 PolarHBondContact O-N 3.44Å; L71-L95 HydrophobicContact CD1-CB 3.94Å; L71-L95 HydrophobicContact CD1-CD1 3.89Å; L71-L95 HydrophobicContact CD1-CG 4.41Å; L71-L95 HydrophobicContact CD2-CD1 3.68Å; L71-L95 HydrophobicContact CG-CD1 4.29Å
72	R	35.6	Very low	39.1	Very low	149 Å²	149	81 Å²	81	56%	0.562	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.2	169.1	-167.2	176.3	-171.5	179.2	1	107.3	L78	R72-L78 HydrophobicContact CB-CD2 4.1Å; R72-L78 HydrophobicContact CG-CD2 4.1Å
73	T	39.5	Very low	39.2	Very low	41 Å²	41	74.3 Å²	74.3	25%	0.252	39%	0.393	S	S	.	.			trans	-73.7	161.1	174.9	62.4	0	0	0	0	110.2	L71 N75 R76 T77	L71-T73 HydrophobicContact CD2-CG2 4.1Å; T73-N75 PolarHBondContact O-N 3.5Å; T73-N75 VanDerWaalsContact O-N 3.11Å; T73-R76 PolarHBondContact O-N 3.46Å; T73-T77 PolarHBondContact N-O 2.94Å; T73-T77 VanDerWaalsContact OG1-CB 3.28Å; T73-T77 WeakPolarHBondContact OG1-CB 3.27Å; T73-T77 PolarHBondContact OG1-N 2.84Å; T73-T77 PolarHBondContact OG1-O 3.4Å; T73-T77 PolarHBondContact OG1-OG1 3.1Å
74	E	34.3	Very low	39	Very low	108 Å²	108	74.4 Å²	74.4	51%	0.505	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-34	178.1	-170.2	172.1	-172.1	0	0	112.4	R76 D97 N99	E74-R76 PolarHBondContact O-N 2.85Å; E74-D97 WeakPolarHBondContact CB-OD2 3.27Å; E74-D97 PolarHBondContact N-OD2 3.13Å; E74-N99 PolarHBondContact OE2-ND2 3.27Å
75	N	36.6	Very low	38.6	Very low	141 Å²	141	78.1 Å²	78.1	75%	0.754	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	16.1	176.2	-69.1	-26.3	0	0	0	115	T73 T77	T73-N75 PolarHBondContact O-N 3.5Å; T73-N75 VanDerWaalsContact O-N 3.11Å; N75-T77 PolarHBondContact O-N 3Å; N75-T77 VanDerWaalsContact O-N 3.09Å
76	R	36.2	Very low	38.4	Very low	201 Å²	201	76 Å²	76	76%	0.758	41%	0.413	S	S	*	.			trans	60.2	13.2	-176.8	-54.9	179	174.7	173.2	0.5	114.4	T73 E74 L78	T73-R76 PolarHBondContact O-N 3.46Å; E74-R76 PolarHBondContact O-N 2.85Å; R76-L78 PolarHBondContact O-N 3.16Å
77	T	33.8	Very low	38.1	Very low	85 Å²	85	80.2 Å²	80.2	52%	0.521	44%	0.44	S	S	.	.			trans	-74.7	124.9	175.2	-36.5	0	0	0	0	108.6	T73 N75 A79	T73-T77 PolarHBondContact N-O 2.94Å; T73-T77 VanDerWaalsContact OG1-CB 3.28Å; T73-T77 WeakPolarHBondContact OG1-CB 3.27Å; T73-T77 PolarHBondContact OG1-N 2.84Å; T73-T77 PolarHBondContact OG1-O 3.4Å; T73-T77 PolarHBondContact OG1-OG1 3.1Å; N75-T77 PolarHBondContact O-N 3Å; N75-T77 VanDerWaalsContact O-N 3.09Å; T77-A79 PolarHBondContact O-N 2.74Å
78	L	39	Very low	37.6	Very low	100 Å²	100	85.2 Å²	85.2	52%	0.524	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.2	174.1	-74.4	166.9	0	0	0	108.2	R72 R76	R72-L78 HydrophobicContact CB-CD2 4.1Å; R72-L78 HydrophobicContact CG-CD2 4.1Å; R76-L78 PolarHBondContact O-N 3.16Å
79	A	39.5	Very low	37.4	Very low	44 Å²	44	80.8 Å²	80.8	36%	0.364	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.7	168.2	0	0	0	0	0	108.2	S70 L71 T77	S70-A79 WeakPolarHBondContact CA-O 3.43Å; L71-A79 HydrophobicContact CB-CB 4.36Å; L71-A79 PolarHBondContact N-O 3.4Å; L71-A79 PolarHBondContact O-N 3.44Å; T77-A79 PolarHBondContact O-N 2.74Å
80	H	41	Very low	37.4	Very low	101 Å²	101	83 Å²	83	47%	0.468	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.5	174.1	-64.9	-71.4	0	0	0	109.2	S70	S70-H80 PolarHBondContact OG-ND1 3.19Å
81	S	39.3	Very low	37.5	Very low	38 Å²	38	83.3 Å²	83.3	27%	0.266	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.2	166.4	-169	0	0	0	0	108.6	C69	C69-S81 PolarHBondContact N-O 2.87Å; C69-S81 PolarHBondContact O-N 3.37Å; C69-S81 VanDerWaalsContact O-O 3.08Å
82	S	38.9	Very low	37.3	Very low	91 Å²	91	82.4 Å²	82.4	64%	0.636	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.4	173.3	53.5	0	0	0	0	108.6	A67	A67-S82 WeakPolarHBondContact O-CA 3.25Å
83	V	41.4	Very low	37.4	Very low	50 Å²	50	77.4 Å²	77.4	30%	0.303	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.6	170.8	-177.6	0	0	0	0	106.6	S66 A67 L86	S66-V83 CarbonylContact C-O 3.43Å; S66-V83 VanDerWaalsContact CA-O 3.27Å; S66-V83 WeakPolarHBondContact CA-O 3.4Å; A67-V83 HydrophobicContact CB-CB 4.31Å; A67-V83 PolarHBondContact N-O 2.98Å; A67-V83 PolarHBondContact O-N 2.92Å; V83-L86 HydrophobicContact CG1-CD1 3.62Å; V83-L86 HydrophobicContact CG1-CG 4.17Å
84	S	36.2	Very low	37.3	Very low	88 Å²	88	77.2 Å²	77.2	62%	0.615	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.7	176.4	49	0	0	0	0	109.9
85	A	36.5	Very low	37.3	Very low	90 Å²	90	72.9 Å²	72.9	74%	0.744	42%	0.416	S	S	*	.			trans	63	47.3	170.1	0	0	0	0	0	115.3	T65	T65-A85 PolarHBondContact O-N 3.19Å; T65-A85 VanDerWaalsContact O-N 3.15Å
86	L	35.3	Very low	37.1	Very low	49 Å²	49	72.1 Å²	72.1	26%	0.257	40%	0.402	S	S	.	.			trans	-108.2	140.5	159.4	-64.8	175.7	0	0	0	108.8	V83 E88 V89	V83-L86 HydrophobicContact CG1-CD1 3.62Å; V83-L86 HydrophobicContact CG1-CG 4.17Å; L86-E88 WeakPolarHBondContact CB-O 3.48Å; L86-E88 PolarHBondContact O-N 3.38Å; L86-E88 VanDerWaalsContact O-N 3.12Å; L86-V89 HydrophobicContact CB-CG2 4.41Å
87	P	31.9	Very low	36.9	Very low	117 Å²	117	65 Å²	65	76%	0.76	38%	0.379	S	S	*	.	S	Bend	trans	-59.2	-21.6	173.2	23.1	-31.4	0	0	0	112
88	E	35	Very low	36.9	Very low	109 Å²	109	66.9 Å²	66.9	51%	0.509	39%	0.39	S	S	.	.	S	Bend	trans	-135.2	122.4	171.3	-67.7	178.1	152.8	0	0	108.8	L86 W90	L86-E88 WeakPolarHBondContact CB-O 3.48Å; L86-E88 PolarHBondContact O-N 3.38Å; L86-E88 VanDerWaalsContact O-N 3.12Å; E88-W90 HydrophobicContact CB-CZ2 4.33Å; E88-W90 PolarHBondContact O-NE1 2.92Å; E88-W90 VanDerWaalsContact OE2-CZ2 3.25Å; E88-W90 WeakPolarHBondContact OE2-CZ2 3.36Å
89	V	34.8	Very low	36.5	Very low	7 Å²	7	67.5 Å²	67.5	4%	0.042	39%	0.394	C	S	.	.			trans	-96	113.4	178.1	161.5	0	0	0	0	109	L64 A67 L86 I91	L64-V89 HydrophobicContact CB-CB 3.85Å; L64-V89 HydrophobicContact CB-CG1 4.08Å; L64-V89 HydrophobicContact CB-CG2 4.49Å; L64-V89 VanDerWaalsContact O-CB 3.26Å; L64-V89 WeakPolarHBondContact O-CB 3.45Å; L64-V89 WeakPolarHBondContact O-CG2 3.26Å; A67-V89 HydrophobicContact CB-CG1 3.18Å; L86-V89 HydrophobicContact CB-CG2 4.41Å; V89-I91 HydrophobicContact CG1-CD1 4.38Å; V89-I91 HydrophobicContact CG1-CG1 4.01Å
90	W	41.6	Very low	36	Very low	82 Å²	82	67.9 Å²	67.9	31%	0.311	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-95.4	105.1	-177.1	-58	82.9	0	0	0	108.7	L27 C53 V55 E88	L27-W90 HydrophobicContact CD1-CH2 4.43Å; L27-W90 HydrophobicContact CD2-CE3 4.42Å; L27-W90 HydrophobicContact CD2-CH2 3.35Å; L27-W90 HydrophobicContact CD2-CZ3 3.24Å; L27-W90 HydrophobicContact CG-CH2 3.99Å; L27-W90 HydrophobicContact CG-CZ3 4.28Å; C53-W90 HydrophobicContact CB-CE3 3.97Å; C53-W90 HydrophobicContact CB-CZ3 4.2Å; V55-W90 HydrophobicContact CG2-CE3 4.24Å; V55-W90 HydrophobicContact CG2-CH2 3.84Å; V55-W90 HydrophobicContact CG2-CZ3 3.5Å; E88-W90 HydrophobicContact CB-CZ2 4.33Å; E88-W90 PolarHBondContact O-NE1 2.92Å; E88-W90 VanDerWaalsContact OE2-CZ2 3.25Å; E88-W90 WeakPolarHBondContact OE2-CZ2 3.36Å
91	I	40.3	Very low	35.5	Very low	22 Å²	22	68.6 Å²	68.6	11%	0.113	41%	0.407	C	S	.	.			trans	-120.7	106.7	170.9	-50.7	172.9	0	0	0	110.1	A67 C69 V89 T106	A67-I91 HydrophobicContact CB-CD1 3.08Å; A67-I91 HydrophobicContact CB-CG1 3.3Å; C69-I91 WeakPolarHBondContact SG-CG2 3.1Å; V89-I91 HydrophobicContact CG1-CD1 4.38Å; V89-I91 HydrophobicContact CG1-CG1 4.01Å; I91-T106 HydrophobicContact CD1-CG2 4.26Å; I91-T106 HydrophobicContact CG2-CG2 3.67Å
92	G	37.2	Very low	35.4	Very low	18 Å²	18	70 Å²	70	19%	0.186	41%	0.414	C	S	.	.			trans	-176.4	77.5	169.2	0	0	0	0	0	108.8	P94	G92-P94 WeakPolarHBondContact O-CD 2.97Å
93	V	37.6	Very low	35.2	Very low	44 Å²	44	71.8 Å²	71.8	27%	0.267	41%	0.412	S	S	.	.			trans	-110.4	96.7	169.4	-160.8	0	0	0	0	107.5	L35 L95	L35-V93 HydrophobicContact CD2-CB 4.05Å; L35-V93 HydrophobicContact CD2-CG1 3.4Å; L35-V93 HydrophobicContact CD2-CG2 3.45Å; L35-V93 VanDerWaalsContact CD2-CG2 3.45Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 HydrophobicContact CB-CD2 4.41Å; V93-L95 HydrophobicContact CB-CG 4.25Å; V93-L95 HydrophobicContact CG1-CD2 3.39Å; V93-L95 HydrophobicContact CG1-CG 3.73Å; V93-L95 PolarHBondContact O-N 2.91Å
94	P	36	Very low	35	Very low	37 Å²	37	72.8 Å²	72.8	24%	0.24	42%	0.419	C	S	.	.			trans	-66.9	101.1	164.3	27.9	-29.5	0	0	0	106.8	G92	G92-P94 WeakPolarHBondContact O-CD 2.97Å
95	L	35.2	Very low	34.9	Very low	17 Å²	17	73.8 Å²	73.8	9%	0.089	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-90.1	116.8	172.1	-67	179.4	0	0	0	107.4	F38 V45 L71 V93	F38-L95 HydrophobicContact CE1-CD1 4.13Å; V45-L95 HydrophobicContact CG1-CB 4.33Å; V45-L95 HydrophobicContact CG1-CD1 3.87Å; V45-L95 HydrophobicContact CG1-CD2 3.33Å; V45-L95 HydrophobicContact CG1-CG 4.03Å; L71-L95 HydrophobicContact CD1-CB 3.94Å; L71-L95 HydrophobicContact CD1-CD1 3.89Å; L71-L95 HydrophobicContact CD1-CG 4.41Å; L71-L95 HydrophobicContact CD2-CD1 3.68Å; L71-L95 HydrophobicContact CG-CD1 4.29Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 HydrophobicContact CB-CD2 4.41Å; V93-L95 HydrophobicContact CB-CG 4.25Å; V93-L95 HydrophobicContact CG1-CD2 3.39Å; V93-L95 HydrophobicContact CG1-CG 3.73Å; V93-L95 PolarHBondContact O-N 2.91Å
96	R	32.7	Very low	34.9	Very low	124 Å²	124	72.5 Å²	72.5	47%	0.468	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-84.3	124	164.3	-73.7	-164.7	-173.3	-169.7	7.3	107.8	E48	E48-R96 VanDerWaalsContact CD-NH2 3.34Å; E48-R96 IonicContact OE1-CZ 2.9Å; E48-R96 IonicContact OE1-NE 3.13Å; E48-R96 PolarHBondContact OE1-NE 2.76Å; E48-R96 VanDerWaalsContact OE1-NE 3.13Å; E48-R96 IonicContact OE1-NH1 3.59Å; E48-R96 IonicContact OE1-NH2 2.72Å; E48-R96 PolarHBondContact OE1-NH2 3.18Å; E48-R96 IonicContact OE2-CZ 3.31Å; E48-R96 VanDerWaalsContact OE2-CZ 3.31Å; E48-R96 IonicContact OE2-NE 2.73Å; E48-R96 PolarHBondContact OE2-NE 2.82Å; E48-R96 IonicContact OE2-NH2 3.25Å; E48-R96 PolarHBondContact OE2-NH2 3.12Å
97	D	31.6	Very low	34.8	Very low	52 Å²	52	74.5 Å²	74.5	28%	0.278	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.5	151.9	160.1	-150.9	-28.8	0	0	0	108.6	E74 N99 G100	E74-D97 WeakPolarHBondContact CB-OD2 3.27Å; E74-D97 PolarHBondContact N-OD2 3.13Å; D97-N99 PolarHBondContact O-N 3.41Å; D97-G100 PolarHBondContact O-N 2.88Å
98	V	33.3	Very low	35	Very low	125 Å²	125	73.3 Å²	73.3	76%	0.758	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.7	-175.1	-163.8	0	0	0	0	111.7
99	N	31	Very low	34.9	Very low	112 Å²	112	72.8 Å²	72.8	60%	0.599	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	7.7	179.1	-66.3	-23.7	0	0	0	115.1	E74 D97 M101	E74-N99 PolarHBondContact OE2-ND2 3.27Å; D97-N99 PolarHBondContact O-N 3.41Å; N99-M101 PolarHBondContact O-N 3.15Å
100	G	29.4	Very low	34.7	Very low	52 Å²	52	76.7 Å²	76.7	54%	0.536	41%	0.407	S	S	.	.	S	Bend	trans	82.3	9.5	167.9	0	0	0	0	0	116.7	D97	D97-G100 PolarHBondContact O-N 2.88Å
101	M	30.8	Very low	34.1	Very low	116 Å²	116	80.1 Å²	80.1	57%	0.571	42%	0.421	S	S	*	.			trans	-100.5	117.4	171.2	-96.3	-174	-73.5	0	0	111.9	N99	N99-M101 PolarHBondContact O-N 3.15Å
102	T	36.4	Very low	33.3	Very low	68 Å²	68	86.7 Å²	86.7	42%	0.417	45%	0.454	S	S	.	.			trans	-94.3	108.8	177.9	-39.2	0	0	0	0	109.8
103	H	35.1	Very low	32.9	Very low	128 Å²	128	94 Å²	94	59%	0.593	51%	0.512	S	S	*	.			trans	-118.4	92.3	169.9	-73.9	-70.8	0	0	0	110.2
104	T	36.1	Very low	32.6	Very low	72 Å²	72	96.6 Å²	96.6	44%	0.442	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.9	174.4	-44.4	0	0	0	0	108.8
105	H	34.3	Very low	32.4	Very low	108 Å²	108	99.7 Å²	99.7	50%	0.5	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	89.4	171	-174.1	-116.8	0	0	0	109.7	Q107	H105-Q107 PolarHBondContact O-N 2.82Å
106	T	37.1	Very low	32.3	Very low	63 Å²	63	104.3 Å²	104.3	39%	0.387	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.4	105.4	175.1	-52	0	0	0	0	109.1	I91 I108	I91-T106 HydrophobicContact CD1-CG2 4.26Å; I91-T106 HydrophobicContact CG2-CG2 3.67Å; T106-I108 HydrophobicContact CG2-CG1 3.88Å
107	Q	34.2	Very low	32.3	Very low	92 Å²	92	103.1 Å²	103.1	43%	0.43	57%	0.57	S	S	.	*			trans	-97.4	94	170	-165.3	176.2	50.2	0	0	108.6	H105 K109	H105-Q107 PolarHBondContact O-N 2.82Å; Q107-K109 HydrophobicContact CG-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.13Å
108	I	35.7	Very low	32.3	Very low	92 Å²	92	106.3 Å²	106.3	47%	0.472	59%	0.589	S	S	.	*			trans	-72.5	109	170.8	-52.9	178.6	0	0	0	106.6	L64 T106	L64-I108 HydrophobicContact CD1-CG2 4.3Å; L64-I108 HydrophobicContact CD2-CG2 3.92Å; T106-I108 HydrophobicContact CG2-CG1 3.88Å
109	K	31.5	Very low	32.2	Very low	97 Å²	97	105.1 Å²	105.1	42%	0.422	58%	0.577	S	S	.	*			trans	-99.6	114.1	166.3	-76	-172.6	177.8	-174.9	0	107.1	Q107 Y111	Q107-K109 HydrophobicContact CG-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.13Å; K109-Y111 HydrophobicContact CB-CD2 4.25Å; K109-Y111 HydrophobicContact CB-CE2 4.38Å; K109-Y111 PolarHBondContact O-N 3.25Å
110	D	32.5	Very low	32.3	Very low	89 Å²	89	104.6 Å²	104.6	48%	0.476	58%	0.576	S	S	.	*			trans	-63.8	100.7	164.7	-71.2	-42.4	0	0	0	107.5	M112	D110-M112 PolarHBondContact O-N 2.98Å
111	Y	28	Very low	32.6	Very low	155 Å²	155	108.6 Å²	108.6	61%	0.608	58%	0.579	S	S	*	*			trans	-80	96.6	163.9	-96.9	-94.4	0	0	0	106.8	K109 A113	K109-Y111 HydrophobicContact CB-CD2 4.25Å; K109-Y111 HydrophobicContact CB-CE2 4.38Å; K109-Y111 PolarHBondContact O-N 3.25Å; Y111-A113 PolarHBondContact O-N 3.35Å
112	M	23.9	Very low	32.7	Very low	160 Å²	160	108 Å²	108	79%	0.788	58%	0.58	S	S	*	*			trans	-65	118.9	157.5	-66.4	-77.8	-167.8	0	0	106.2	D110	D110-M112 PolarHBondContact O-N 2.98Å
113	A	27.5	Very low	32.4	Very low	172 Å²	172	111.6 Å²	111.6	100%	1.421	59%	0.594	S	S	*	*			trans	-70	0	164.8	0	0	0	0	0	109.7	Y111	Y111-A113 PolarHBondContact O-N 3.35Å

Retrieved 113 of 113 residues in 23.2 ms (Link to these results)

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