A0A096MUY8_PAPAN Loading...

E3 ubiquitin-protein ligase RNF4

E3 ubiquitin-protein ligase which binds polysumoylated chains covalently attached to proteins and mediates 'Lys-6'-, 'Lys-11'-, 'Lys-48'- and 'Lys-63'-linked polyubiquitination of those substrates and their subsequent targeting to the proteasome for degradation. Regulates the degradation of several proteins including PML and the transcriptional activator PEA3. Involved in chromosome alignment and spindle assembly, it regulates the kinetochore CENPH-CENPI-CENPK complex by targeting polysumoylated CENPI to proteasomal degradation. Regulates the cellular responses to hypoxia and heat shock through degradation of respectively EPAS1 and PARP1. Alternatively, it may also bind DNA/nucleosomes and have a more direct role in the regulation of transcription for instance enhancing basal transcription and steroid receptor-mediated transcriptional activation. Catalyzes ubiquitination of sumoylated PARP1 in response to PARP1 trapping to chromatin, leading to PARP1 removal from chromatin by VCP/p97.

AlphaFold DB (A0A2K5MIG4), UniProt , Accession A0A096MUY8, Species PAPAN (Papio anubis, Olive baboon), Gene RNF4, Length 190 aa.

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	40.4	Very low	49.6	Very low	243 Å²	243	152.7 Å²	152.7	100%	1.197	82%	0.815	S	S	*	*				0	134.7	0	-64.9	166.1	166	0	0	107.3
2	S	42.9	Very low	49.2	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	81%	0.808	S	S	*	*			cis	-170.8	127.8	-24.7	-88	0	0	0	0	103.8
3	T	48	Very low	48.9	Very low	113 Å²	113	147.8 Å²	147.8	69%	0.693	80%	0.802	S	S	*	*			trans	47.7	126.9	140.5	72	0	0	0	0	120.1
4	R	58.9	Low	49.4	Very low	229 Å²	229	154.2 Å²	154.2	86%	0.864	81%	0.809	S	S	*	*				156.9	160.9	88.3	-102.3	142.9	-172.9	-153.2	3.9	107.2
5	K	58.8	Low	49.6	Very low	150 Å²	150	156.1 Å²	156.1	65%	0.652	81%	0.812	S	S	*	*			cis	171.5	127.2	-25.1	-142.2	-172.3	-178	178.9	0	105
6	R	55.9	Low	49.7	Very low	204 Å²	204	155.1 Å²	155.1	77%	0.77	82%	0.815	S	S	*	*			trans	65.9	155.3	146.6	-64	167.1	-175.8	-158.6	3.5	117.7
7	R	57.3	Low	50	Low	238 Å²	238	157.2 Å²	157.2	90%	0.898	82%	0.819	S	S	*	*			cis	-153	137.1	35.3	-65.6	170.4	178	-145.2	-2.1	107.3
8	G	44.1	Very low	50.6	Low	86 Å²	86	159.9 Å²	159.9	89%	0.887	82%	0.823	S	S	*	*				84	131.8	81.5	0	0	0	0	0	110.3
9	G	43	Very low	50.7	Low	74 Å²	74	164.3 Å²	164.3	76%	0.763	83%	0.828	S	S	*	*			cis	170.2	137.1	1.1	0	0	0	0	0	108
10	A	44	Very low	50.6	Low	93 Å²	93	163.2 Å²	163.2	77%	0.769	83%	0.83	S	S	*	*			trans	50.7	118	137.1	0	0	0	0	0	122.6
11	I	52.2	Low	50.6	Low	149 Å²	149	165.5 Å²	165.5	76%	0.764	83%	0.829	S	S	*	*				32.9	133.9	127.7	61.3	165.2	0	0	0	119.7
12	N	44.5	Very low	50.9	Low	137 Å²	137	162.1 Å²	162.1	73%	0.733	81%	0.81	S	S	*	*				175.6	128.8	101.5	-70.4	-23.2	0	0	0	109
13	S	45.4	Very low	51	Low	104 Å²	104	162.2 Å²	162.2	73%	0.727	82%	0.817	S	S	*	*				64.4	114.8	96.6	-160.9	0	0	0	0	116.6
14	R	56.8	Low	50.5	Low	238 Å²	238	163.2 Å²	163.2	90%	0.898	82%	0.823	S	S	*	*				169	137.8	115.5	-88.2	168.1	-172.1	-162.9	2	113.4
15	Q	51.8	Low	50	Low	183 Å²	183	157.8 Å²	157.8	86%	0.855	82%	0.821	S	S	*	*			trans	-57.8	160.6	169.5	-70.7	163.9	-29.6	0	0	113.2
16	T	50.9	Low	49.2	Very low	140 Å²	140	156.7 Å²	156.7	86%	0.859	83%	0.827	S	S	*	*			trans	-164	120.7	131.2	14	0	0	0	0	111.6
17	Q	55.3	Low	48.8	Very low	191 Å²	191	152.9 Å²	152.9	89%	0.893	83%	0.828	S	S	*	*			trans	-73	142.5	160.7	-72.1	168.2	-23	0	0	109.8
18	K	60.4	Low	48.1	Very low	205 Å²	205	150.1 Å²	150.1	89%	0.891	83%	0.826	S	S	*	*			trans	-146.7	120.8	151.4	-78.4	-165.8	176.3	178.7	0	110.9
19	R	52.7	Low	48.1	Very low	244 Å²	244	154.1 Å²	154.1	92%	0.921	83%	0.825	S	S	*	*			trans	-76.6	141.5	161.9	-68.6	164.8	90.3	-165	9.9	108.9
20	T	48.5	Very low	47.9	Very low	141 Å²	141	155.8 Å²	155.8	87%	0.865	83%	0.825	S	S	*	*			trans	-158.5	162.5	146.3	-16.1	0	0	0	0	111.8
21	R	51.5	Low	48.2	Very low	212 Å²	212	159.2 Å²	159.2	80%	0.8	83%	0.829	S	S	*	*			trans	-94.4	157.1	-143	-62.3	159.8	82.7	177	7.6	116.6
22	E	46.3	Very low	47.8	Very low	172 Å²	172	160.6 Å²	160.6	80%	0.804	83%	0.832	S	S	*	*			trans	18.7	132.7	139.1	-54.5	179.3	122.3	0	0	121.4
23	A	44.1	Very low	48.2	Very low	103 Å²	103	158.8 Å²	158.8	85%	0.851	84%	0.837	S	S	*	*			trans	-157.9	126.5	139.1	0	0	0	0	0	111.7
24	T	37.9	Very low	48.6	Very low	134 Å²	134	162.4 Å²	162.4	82%	0.822	84%	0.842	S	S	*	*			trans	-59.4	141.1	171.1	-53.9	0	0	0	0	113.3
25	S	48	Very low	48.6	Very low	116 Å²	116	156.7 Å²	156.7	81%	0.811	84%	0.836	S	S	*	*			trans	-163.3	110.9	142.6	47.7	0	0	0	0	112.1
26	T	42.5	Very low	48.9	Very low	127 Å²	127	155 Å²	155	78%	0.779	83%	0.832	S	S	*	*			trans	-79.6	150.2	149.2	38.5	0	0	0	0	108.7
27	P	47.3	Very low	49.4	Very low	124 Å²	124	156.9 Å²	156.9	81%	0.805	83%	0.83	S	S	*	*				-137.9	152.4	110.5	34.6	-21.3	0	0	0	113.7
28	E	42.8	Very low	49.3	Very low	180 Å²	180	155 Å²	155	84%	0.841	83%	0.826	S	S	*	*			trans	-58.5	152.5	170.1	-53.9	-160.6	113.3	0	0	112.9
29	I	44.9	Very low	49.3	Very low	169 Å²	169	150.9 Å²	150.9	87%	0.867	82%	0.817	S	S	*	*			trans	-155.5	123.8	140.2	44.6	167	0	0	0	112.2
30	S	37.8	Very low	49.6	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	82%	0.816	S	S	*	*			trans	44.3	111.3	148.7	-79.9	0	0	0	0	122.2
31	L	50.4	Low	50.2	Low	166 Å²	166	147.7 Å²	147.7	87%	0.869	81%	0.812	S	S	*	*			trans	-61.9	125.8	147.2	-59.4	164.2	0	0	0	110.1
32	E	44.7	Very low	50.7	Low	177 Å²	177	142.6 Å²	142.6	83%	0.827	82%	0.815	S	S	*	*			trans	-137.6	99.2	154.5	-67	-73.1	130.1	0	0	105.7
33	A	51.9	Low	51.2	Low	100 Å²	100	137.1 Å²	137.1	83%	0.826	81%	0.805	S	S	*	*			trans	-93.3	105.3	173.2	0	0	0	0	0	107.3
34	E	54	Low	52.2	Low	179 Å²	179	140 Å²	140	84%	0.836	81%	0.806	S	S	*	*			trans	-71.8	132.8	168.8	-70.3	-143.4	128.5	0	0	110
35	P	56.1	Low	53.7	Low	119 Å²	119	141.9 Å²	141.9	77%	0.773	81%	0.806	S	S	*	*			trans	-74.8	129.2	175.5	29.1	-30.7	0	0	0	110.5	E37	P35-E37 PolarHBondContact O-N 3.1Å
36	I	58.8	Low	54.9	Low	148 Å²	148	144 Å²	144	76%	0.759	81%	0.806	S	S	*	*			trans	-74.8	112.4	174.8	-60.8	161.8	0	0	0	107.9	L38	I36-L38 HydrophobicContact CG2-CD2 4.21Å; I36-L38 HydrophobicContact CG2-CG 4.48Å; I36-L38 PolarHBondContact O-N 3.13Å; I36-L38 VanDerWaalsContact O-N 3.13Å
37	E	61.1	Low	56.5	Low	179 Å²	179	143.2 Å²	143.2	84%	0.836	80%	0.801	S	S	*	*			trans	-69	104.9	167.4	-69	-161.3	160.5	0	0	109.3	P35 V39	P35-E37 PolarHBondContact O-N 3.1Å; E37-V39 PolarHBondContact O-N 3.22Å
38	L	54.6	Low	57.6	Low	151 Å²	151	142.1 Å²	142.1	79%	0.791	79%	0.789	S	S	*	*			trans	-78.6	97.6	172.1	-66.8	167.5	0	0	0	108.3	I36 E40	I36-L38 HydrophobicContact CG2-CD2 4.21Å; I36-L38 HydrophobicContact CG2-CG 4.48Å; I36-L38 PolarHBondContact O-N 3.13Å; I36-L38 VanDerWaalsContact O-N 3.13Å; L38-E40 PolarHBondContact O-N 3.14Å; L38-E40 VanDerWaalsContact O-N 3.1Å
39	V	58.7	Low	58.7	Low	118 Å²	118	141.1 Å²	141.1	72%	0.715	79%	0.788	S	S	*	*			trans	-65.2	107	164.1	176.6	0	0	0	0	107.4	E37 T41	E37-V39 PolarHBondContact O-N 3.22Å; V39-T41 VanDerWaalsContact C-N 3.3Å; V39-T41 PolarHBondContact O-N 3.35Å; V39-T41 PolarHBondContact O-OG1 3.21Å
40	E	60.1	Low	60	Low	190 Å²	190	138.9 Å²	138.9	89%	0.888	78%	0.783	S	S	*	*			trans	-62.3	92.8	169.9	-69.7	-178.4	126.7	0	0	108.6	L38 A42	L38-E40 PolarHBondContact O-N 3.14Å; L38-E40 VanDerWaalsContact O-N 3.1Å; E40-A42 PolarHBondContact O-N 3.32Å
41	T	59.8	Low	61.1	Low	128 Å²	128	138.1 Å²	138.1	79%	0.785	78%	0.776	S	S	*	*			trans	-81.4	100.6	172.6	-41.4	0	0	0	0	106.2	V39 G43	V39-T41 VanDerWaalsContact C-N 3.3Å; V39-T41 PolarHBondContact O-N 3.35Å; V39-T41 PolarHBondContact O-OG1 3.21Å; T41-G43 PolarHBondContact O-N 2.86Å
42	A	62	Low	61.7	Low	105 Å²	105	138.8 Å²	138.8	87%	0.868	78%	0.775	S	S	*	*			trans	-60	123.3	173.6	0	0	0	0	0	110.2	E40	E40-A42 PolarHBondContact O-N 3.32Å
43	G	58.8	Low	62.6	Low	58 Å²	58	135.4 Å²	135.4	60%	0.598	77%	0.77	S	S	*	*			trans	153.5	62.1	169.9	0	0	0	0	0	114.5	T41 E45	T41-G43 PolarHBondContact O-N 2.86Å; G43-E45 PolarHBondContact O-N 3.2Å; G43-E45 VanDerWaalsContact O-N 3.14Å
44	D	64.3	Low	63.2	Low	162 Å²	162	138.1 Å²	138.1	87%	0.866	77%	0.77	S	S	*	*			trans	-74.5	97.3	161.3	-84.6	-10.3	0	0	0	108.3	I46	D44-I46 PolarHBondContact O-N 3.34Å
45	E	70.2	Confident	63.9	Low	175 Å²	175	138 Å²	138	82%	0.818	77%	0.77	S	S	*	*			trans	-77.6	98.6	170.4	-55.4	-170	-162.4	0	0	108.3	G43 V47	G43-E45 PolarHBondContact O-N 3.2Å; G43-E45 VanDerWaalsContact O-N 3.14Å; E45-V47 PolarHBondContact O-N 3.49Å; E45-V47 VanDerWaalsContact O-N 3.09Å
46	I	73	Confident	64.4	Low	160 Å²	160	137.7 Å²	137.7	82%	0.821	77%	0.768	S	S	*	*			trans	-72.3	104.5	177.1	-56.5	169.9	0	0	0	107.9	D44 D48	D44-I46 PolarHBondContact O-N 3.34Å; I46-D48 PolarHBondContact O-N 2.92Å
47	V	74.4	Confident	65	Low	111 Å²	111	137.1 Å²	137.1	67%	0.673	77%	0.771	S	S	*	*			trans	-76.3	106.5	173.6	-177.2	0	0	0	0	108.7	E45 L49	E45-V47 PolarHBondContact O-N 3.49Å; E45-V47 VanDerWaalsContact O-N 3.09Å; V47-L49 HydrophobicContact CG1-CD1 4.43Å; V47-L49 HydrophobicContact CG1-CG 4.31Å; V47-L49 PolarHBondContact O-N 3.44Å; V47-L49 VanDerWaalsContact O-N 3.15Å
48	D	71.3	Confident	65.6	Low	101 Å²	101	135 Å²	135	54%	0.54	77%	0.77	S	S	.	*			trans	-73.7	98.8	171.9	-178.2	14.5	0	0	0	110.7	I46 T50	I46-D48 PolarHBondContact O-N 2.92Å; D48-T50 PolarHBondContact O-N 3.15Å; D48-T50 WeakPolarHBondContact OD1-CB 3.33Å; D48-T50 PolarHBondContact OD1-N 2.58Å; D48-T50 PolarHBondContact OD1-OG1 3.28Å; D48-T50 PolarHBondContact OD2-OG1 3.09Å
49	L	65.5	Low	66.5	Low	158 Å²	158	133.1 Å²	133.1	83%	0.827	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	2.1	174.7	-73.2	122	0	0	0	113.4	V47	V47-L49 HydrophobicContact CG1-CD1 4.43Å; V47-L49 HydrophobicContact CG1-CG 4.31Å; V47-L49 PolarHBondContact O-N 3.44Å; V47-L49 VanDerWaalsContact O-N 3.15Å
50	T	72.1	Confident	67.1	Low	123 Å²	123	133 Å²	133	76%	0.755	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-2.3	-178.5	71.3	0	0	0	0	113.6	D48	D48-T50 PolarHBondContact O-N 3.15Å; D48-T50 WeakPolarHBondContact OD1-CB 3.33Å; D48-T50 PolarHBondContact OD1-N 2.58Å; D48-T50 PolarHBondContact OD1-OG1 3.28Å; D48-T50 PolarHBondContact OD2-OG1 3.09Å
51	C	60.8	Low	67.5	Low	92 Å²	92	131.3 Å²	131.3	62%	0.622	76%	0.756	S	S	*	*			trans	-110.7	41.7	-173.8	-155.2	0	0	0	0	115
52	E	63.3	Low	68.1	Low	180 Å²	180	131 Å²	131	84%	0.841	75%	0.754	S	S	*	*			trans	-104.8	79.8	154.1	-66.6	-166.4	131.4	0	0	108.4	L54	E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 2.84Å
53	S	63.5	Low	68.8	Low	106 Å²	106	132.5 Å²	132.5	74%	0.741	74%	0.743	S	S	*	*			trans	-64.1	86.4	170.7	-55.8	0	0	0	0	110.1
54	L	64.4	Low	69.2	Low	157 Å²	157	137.4 Å²	137.4	82%	0.822	76%	0.755	S	S	*	*			trans	-106.7	101.2	157.7	-64.8	179.5	0	0	0	106.8	E52	E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 2.84Å
55	E	68.4	Low	69.2	Low	177 Å²	177	135.4 Å²	135.4	83%	0.827	75%	0.745	S	S	*	*			trans	-52.5	127.9	170.3	-63.5	178.4	143	0	0	108.5	V57	E55-V57 PolarHBondContact O-N 2.94Å
56	P	68	Low	68.8	Low	113 Å²	113	132.1 Å²	132.1	73%	0.734	74%	0.741	S	S	*	*			trans	-62.6	127	179.8	25.2	-32.5	0	0	0	108.9	V58	P56-V58 PolarHBondContact O-N 3.22Å
57	V	70.4	Confident	68.3	Low	136 Å²	136	130.7 Å²	130.7	82%	0.824	74%	0.739	S	S	*	*			trans	-60	105.8	173.8	178.7	0	0	0	0	108.1	E55 V59	E55-V57 PolarHBondContact O-N 2.94Å; V57-V59 PolarHBondContact O-N 3.28Å
58	V	74.6	Confident	67.6	Low	133 Å²	133	131.5 Å²	131.5	81%	0.806	75%	0.745	S	S	*	*			trans	-74.1	119.2	174.9	-66.7	0	0	0	0	108.8	P56	P56-V58 PolarHBondContact O-N 3.22Å
59	V	73.6	Confident	66.8	Low	112 Å²	112	134.1 Å²	134.1	68%	0.679	76%	0.757	S	S	*	*			trans	-88.9	112.9	173.3	-176.2	0	0	0	0	107.3	V57 L61	V57-V59 PolarHBondContact O-N 3.28Å; V59-L61 HydrophobicContact CG1-CD2 4.41Å; V59-L61 PolarHBondContact O-N 2.62Å
60	D	70.8	Confident	66.3	Low	116 Å²	116	132.3 Å²	132.3	62%	0.62	75%	0.752	S	S	*	*			trans	-73.8	106.6	175.5	-174.7	6.4	0	0	0	110.1	T62	D60-T62 VanDerWaalsContact C-N 3.34Å; D60-T62 VanDerWaalsContact CG-OG1 3.31Å; D60-T62 VanDerWaalsContact OD1-CB 3.26Å; D60-T62 WeakPolarHBondContact OD1-CB 3.32Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.26Å; D60-T62 PolarHBondContact OD1-N 2.91Å; D60-T62 PolarHBondContact OD1-OG1 3.22Å; D60-T62 PolarHBondContact OD2-OG1 3.4Å
61	L	68.9	Low	65.2	Low	154 Å²	154	131.5 Å²	131.5	81%	0.806	74%	0.743	S	S	*	*			trans	-92.2	7.7	177.2	-66.9	166.8	0	0	0	112.4	V59 H63	V59-L61 HydrophobicContact CG1-CD2 4.41Å; V59-L61 PolarHBondContact O-N 2.62Å; L61-H63 VanDerWaalsContact C-N 3.27Å; L61-H63 PolarHBondContact O-N 2.93Å
62	T	72.6	Confident	64.4	Low	122 Å²	122	133.4 Å²	133.4	75%	0.748	74%	0.743	S	S	*	*	S	Bend	trans	-79.8	-10.6	-178.7	68.1	0	0	0	0	113.2	D60	D60-T62 VanDerWaalsContact C-N 3.34Å; D60-T62 VanDerWaalsContact CG-OG1 3.31Å; D60-T62 VanDerWaalsContact OD1-CB 3.26Å; D60-T62 WeakPolarHBondContact OD1-CB 3.32Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.26Å; D60-T62 PolarHBondContact OD1-N 2.91Å; D60-T62 PolarHBondContact OD1-OG1 3.22Å; D60-T62 PolarHBondContact OD2-OG1 3.4Å
63	H	75.6	Confident	63.8	Low	137 Å²	137	133.7 Å²	133.7	63%	0.634	74%	0.736	S	S	*	*	S	Bend	trans	-96	123.8	166.6	-136.5	66.4	0	0	0	110.4	L61 D65	L61-H63 VanDerWaalsContact C-N 3.27Å; L61-H63 PolarHBondContact O-N 2.93Å; H63-D65 IonicContact CD2-OD1 3.46Å; H63-D65 PolarHBondContact CD2-OD1 2.85Å; H63-D65 IonicContact CD2-OD2 3.86Å; H63-D65 PolarHBondContact O-N 3.46Å
64	N	68.3	Low	62.9	Low	161 Å²	161	138 Å²	138	86%	0.861	74%	0.736	S	S	*	*			trans	-78.2	64.7	177.3	-156.3	16.1	0	0	0	109.6	S66	N64-S66 PolarHBondContact O-N 3.49Å
65	D	63.5	Low	62	Low	119 Å²	119	140.6 Å²	140.6	64%	0.636	74%	0.735	S	S	*	*			trans	-78	98.2	171.5	-77.7	-33.6	0	0	0	108.4	H63 V67	H63-D65 IonicContact CD2-OD1 3.46Å; H63-D65 PolarHBondContact CD2-OD1 2.85Å; H63-D65 IonicContact CD2-OD2 3.86Å; H63-D65 PolarHBondContact O-N 3.46Å; D65-V67 PolarHBondContact O-N 3.47Å
66	S	62.4	Low	60.8	Low	106 Å²	106	138.2 Å²	138.2	74%	0.741	74%	0.735	S	S	*	*			trans	-56.8	100.8	174.1	50.2	0	0	0	0	110.9	N64 V68	N64-S66 PolarHBondContact O-N 3.49Å; S66-V68 PolarHBondContact O-N 3.28Å
67	V	63.1	Low	59.5	Low	130 Å²	130	143.8 Å²	143.8	79%	0.788	74%	0.741	S	S	*	*			trans	-70.4	97.9	167.5	-75.8	0	0	0	0	109.6	D65 I69	D65-V67 PolarHBondContact O-N 3.47Å; V67-I69 PolarHBondContact O-N 2.97Å; V67-I69 VanDerWaalsContact O-N 3.12Å
68	V	58	Low	58.2	Low	129 Å²	129	149.1 Å²	149.1	78%	0.782	75%	0.747	S	S	*	*			trans	-68.6	102.8	165.6	-97.6	0	0	0	0	108.8	S66 V70	S66-V68 PolarHBondContact O-N 3.28Å; V68-V70 PolarHBondContact O-N 2.92Å; V68-V70 VanDerWaalsContact O-N 3.07Å
69	I	54.8	Low	56.5	Low	155 Å²	155	149.8 Å²	149.8	80%	0.795	75%	0.746	S	S	*	*			trans	-73	98.8	167.3	-56.5	-163.5	0	0	0	107.5	V67 D71	V67-I69 PolarHBondContact O-N 2.97Å; V67-I69 VanDerWaalsContact O-N 3.12Å; I69-D71 PolarHBondContact O-N 3.2Å
70	V	55.4	Low	54.7	Low	120 Å²	120	148.6 Å²	148.6	73%	0.727	75%	0.748	S	S	*	*			trans	-72.6	107.9	165.7	-175.6	0	0	0	0	106.9	V68 E72	V68-V70 PolarHBondContact O-N 2.92Å; V68-V70 VanDerWaalsContact O-N 3.07Å; V70-E72 PolarHBondContact O-N 3.48Å
71	D	48.3	Very low	53.6	Low	107 Å²	107	154.7 Å²	154.7	57%	0.572	76%	0.762	S	S	*	*			trans	-59.9	96.1	172.5	-171.7	-127.4	0	0	0	109	I69 R73	I69-D71 PolarHBondContact O-N 3.2Å; D71-R73 PolarHBondContact O-N 3.42Å; D71-R73 VanDerWaalsContact OD1-CD 3.29Å; D71-R73 WeakPolarHBondContact OD1-CD 3.42Å; D71-R73 VanDerWaalsContact OD1-CG 3.28Å; D71-R73 WeakPolarHBondContact OD1-CG 3.15Å; D71-R73 IonicContact OD1-CZ 3.67Å; D71-R73 IonicContact OD1-NE 2.7Å; D71-R73 PolarHBondContact OD1-NE 2.91Å; D71-R73 IonicContact OD1-NH2 3.76Å
72	E	45.6	Very low	52.2	Low	131 Å²	131	159.2 Å²	159.2	61%	0.612	77%	0.769	S	S	*	*			trans	-78.4	66.7	-178.7	-140.3	-160.7	75.9	0	0	110.5	V70 R74	V70-E72 PolarHBondContact O-N 3.48Å; E72-R74 HydrophobicContact CG-CG 3.92Å; E72-R74 PolarHBondContact O-N 2.83Å; E72-R74 VanDerWaalsContact OE1-CD 3.24Å; E72-R74 WeakPolarHBondContact OE1-CD 3.48Å; E72-R74 WeakPolarHBondContact OE1-CG 3.28Å; E72-R74 IonicContact OE1-CZ 2.71Å; E72-R74 IonicContact OE1-NE 3.89Å; E72-R74 PolarHBondContact OE1-NE 3.15Å; E72-R74 IonicContact OE1-NH2 3.74Å; E72-R74 IonicContact OE2-CZ 2.65Å; E72-R74 IonicContact OE2-NE 2.82Å; E72-R74 PolarHBondContact OE2-NE 3.45Å; E72-R74 VanDerWaalsContact OE2-NE 3.13Å; E72-R74 IonicContact OE2-NH2 3.41Å; E72-R74 PolarHBondContact OE2-NH2 3.07Å
73	R	49.1	Very low	50.8	Low	187 Å²	187	160.9 Å²	160.9	71%	0.706	77%	0.772	S	S	*	*			trans	-72.1	74.7	163.2	-71.3	179.5	-163.7	-127.9	-3.6	109.6	D71 R75	D71-R73 PolarHBondContact O-N 3.42Å; D71-R73 VanDerWaalsContact OD1-CD 3.29Å; D71-R73 WeakPolarHBondContact OD1-CD 3.42Å; D71-R73 VanDerWaalsContact OD1-CG 3.28Å; D71-R73 WeakPolarHBondContact OD1-CG 3.15Å; D71-R73 IonicContact OD1-CZ 3.67Å; D71-R73 IonicContact OD1-NE 2.7Å; D71-R73 PolarHBondContact OD1-NE 2.91Å; D71-R73 IonicContact OD1-NH2 3.76Å; R73-R75 PolarHBondContact O-N 2.97Å
74	R	44.5	Very low	49.5	Very low	197 Å²	197	159.3 Å²	159.3	74%	0.743	77%	0.774	S	S	*	*			trans	-74.4	80.5	163.6	-64.2	-163.8	-168.1	-131.4	-3.4	110.1	E72	E72-R74 HydrophobicContact CG-CG 3.92Å; E72-R74 PolarHBondContact O-N 2.83Å; E72-R74 VanDerWaalsContact OE1-CD 3.24Å; E72-R74 WeakPolarHBondContact OE1-CD 3.48Å; E72-R74 WeakPolarHBondContact OE1-CG 3.28Å; E72-R74 IonicContact OE1-CZ 2.71Å; E72-R74 IonicContact OE1-NE 3.89Å; E72-R74 PolarHBondContact OE1-NE 3.15Å; E72-R74 IonicContact OE1-NH2 3.74Å; E72-R74 IonicContact OE2-CZ 2.65Å; E72-R74 IonicContact OE2-NE 2.82Å; E72-R74 PolarHBondContact OE2-NE 3.45Å; E72-R74 VanDerWaalsContact OE2-NE 3.13Å; E72-R74 IonicContact OE2-NH2 3.41Å; E72-R74 PolarHBondContact OE2-NH2 3.07Å
75	R	46	Very low	48.4	Very low	210 Å²	210	160 Å²	160	79%	0.792	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-79	133.6	158.3	-73	-174.2	173.4	-174.3	-1.3	109.1	R73	R73-R75 PolarHBondContact O-N 2.97Å
76	P	43.5	Very low	47.3	Very low	127 Å²	127	159.8 Å²	159.8	83%	0.825	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.3	178.8	-21.6	32.3	0	0	0	113	R78	P76-R78 PolarHBondContact O-N 2.94Å
77	R	40.4	Very low	46.2	Very low	230 Å²	230	162.5 Å²	162.5	87%	0.868	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.3	122.8	178.1	-71.1	-175.6	154.1	128.5	-1.9	112
78	R	44.1	Very low	45.4	Very low	248 Å²	248	159.9 Å²	159.9	94%	0.936	76%	0.764	S	S	*	*			trans	-93.6	111	156.6	-79	-178.3	172.9	177.6	-2.4	108.3	P76	P76-R78 PolarHBondContact O-N 2.94Å
79	N	37.5	Very low	45	Very low	147 Å²	147	161.3 Å²	161.3	79%	0.786	77%	0.767	S	S	*	*			trans	-96.7	108.9	164.9	-68.3	-4.8	0	0	0	108
80	A	37.1	Very low	45	Very low	88 Å²	88	159.2 Å²	159.2	73%	0.727	77%	0.766	S	S	*	*			trans	-165.1	96.7	152.8	0	0	0	0	0	111.7
81	R	46.8	Very low	45.1	Very low	244 Å²	244	159.4 Å²	159.4	92%	0.921	77%	0.771	S	S	*	*			trans	51.8	124.7	139.5	-53.9	-174.7	-170.3	-149.2	1.9	119.8
82	R	39.7	Very low	45.6	Very low	249 Å²	249	160.3 Å²	160.3	94%	0.94	78%	0.78	S	S	*	*			trans	155.6	138.2	130.2	-63.4	-138.2	-172.9	-137.4	-1.7	105.9
83	L	43.1	Very low	45.9	Very low	156 Å²	156	160.1 Å²	160.1	82%	0.817	79%	0.788	S	S	*	*			cis	-176.1	139.3	-6.1	169.7	70.8	0	0	0	102.8
84	P	48.5	Very low	45.8	Very low	104 Å²	104	156.6 Å²	156.6	68%	0.675	79%	0.792	S	S	*	*			trans	-92.3	158.2	172	-3	22.6	0	0	0	113.1
85	Q	44.7	Very low	46.4	Very low	177 Å²	177	152.8 Å²	152.8	83%	0.827	80%	0.796	S	S	*	*			trans	74.6	147.4	162.8	-76.2	175.9	-53.8	0	0	116.7
86	D	40	Very low	47.1	Very low	113 Å²	113	150.5 Å²	150.5	60%	0.604	80%	0.799	S	S	*	*			cis	-172	168.2	-11.2	-156.5	-48.2	0	0	0	105.2
87	H	40.3	Very low	47.7	Very low	163 Å²	163	149.6 Å²	149.6	76%	0.755	79%	0.787	S	S	*	*			trans	80.1	115.2	159.7	-67.3	-64.4	0	0	0	122.3
88	A	47.1	Very low	48.7	Very low	76 Å²	76	146.9 Å²	146.9	63%	0.628	78%	0.784	S	S	*	*				60.4	107.4	124.5	0	0	0	0	0	118.8
89	D	48.7	Very low	49.1	Very low	158 Å²	158	142 Å²	142	85%	0.845	77%	0.772	S	S	*	*				166.1	126.8	106	-79.6	-32.1	0	0	0	111.7
90	S	55.2	Low	49.8	Very low	111 Å²	111	140 Å²	140	78%	0.776	76%	0.761	S	S	*	*			trans	50.3	112.6	138.9	-163.8	0	0	0	0	120.4
91	C	56.3	Low	50.8	Low	125 Å²	125	141.8 Å²	141.8	85%	0.845	77%	0.768	S	S	*	*				-173.8	160.3	98.1	61.3	0	0	0	0	112.1
92	V	59.9	Low	51.6	Low	125 Å²	125	140.8 Å²	140.8	76%	0.758	77%	0.765	S	S	*	*			trans	-98.2	146.8	-153.2	-95.1	0	0	0	0	113.2
93	V	51.3	Low	52.3	Low	128 Å²	128	136.6 Å²	136.6	78%	0.776	76%	0.761	S	S	*	*			trans	61.1	126.3	133.4	-167.1	0	0	0	0	116.4
94	S	47.8	Very low	53	Low	112 Å²	112	139.5 Å²	139.5	78%	0.783	76%	0.761	S	S	*	*				-148.3	136.1	62.7	-63.1	0	0	0	0	115.5
95	S	56.6	Low	52.9	Low	118 Å²	118	141.7 Å²	141.7	83%	0.825	77%	0.767	S	S	*	*			trans	-81.3	132.8	150.3	-158.2	0	0	0	0	107.6
96	D	59.7	Low	53.6	Low	162 Å²	162	139.3 Å²	139.3	87%	0.866	76%	0.764	S	S	*	*			trans	-131.3	102.8	160.4	-165.5	-115	0	0	0	106
97	D	57.6	Low	53.8	Low	107 Å²	107	143.8 Å²	143.8	57%	0.572	77%	0.774	S	S	*	*			trans	-77.6	144.9	155.9	-150.3	-91.3	0	0	0	104.7
98	E	61.6	Low	54.2	Low	173 Å²	173	140.8 Å²	140.8	81%	0.808	77%	0.767	S	S	*	*				-171	157.4	95.6	-77.7	-85.3	119.2	0	0	111.6
99	E	52.6	Low	54.2	Low	146 Å²	146	141.5 Å²	141.5	68%	0.682	76%	0.764	S	S	*	*			trans	-64.6	156.6	-165.3	-96.1	-169.8	112.3	0	0	120.7
100	L	52	Low	54.4	Low	105 Å²	105	139.3 Å²	139.3	55%	0.55	76%	0.756	S	S	.	*			trans	56.9	126.8	137.3	-63.6	177.4	0	0	0	121.6
101	S	57.8	Low	54	Low	126 Å²	126	143.4 Å²	143.4	88%	0.881	76%	0.762	S	S	*	*			trans	-146.1	106.3	133.5	-70.3	0	0	0	0	109.7
102	R	63.7	Low	53.5	Low	223 Å²	223	144 Å²	144	84%	0.842	76%	0.763	S	S	*	*			trans	-78.4	122.9	160.2	-56.4	174.5	-169.4	168.8	4.6	105.8
103	D	54.5	Low	52.8	Low	160 Å²	160	142.8 Å²	142.8	86%	0.856	76%	0.757	S	S	*	*			trans	-148.4	132.1	155.3	-163.3	49.4	0	0	0	111.2
104	R	56.5	Low	52.4	Low	218 Å²	218	148 Å²	148	82%	0.823	76%	0.763	S	S	*	*			trans	-119	118.8	-179.2	169.3	155	96	178.5	7.4	104.7
105	D	47.2	Very low	52.7	Low	149 Å²	149	149.7 Å²	149.7	80%	0.797	76%	0.763	S	S	*	*			trans	-174	161	135.9	-91.9	-31.1	0	0	0	114.1
106	V	58.4	Low	52.6	Low	128 Å²	128	149.8 Å²	149.8	78%	0.776	76%	0.759	S	S	*	*			trans	-82.9	137.2	-163.3	171.9	0	0	0	0	112.7
107	Y	45.5	Very low	51.9	Low	206 Å²	206	153.1 Å²	153.1	81%	0.808	76%	0.759	S	S	*	*			trans	-159.1	139.4	142.2	168.3	-106.9	0	0	0	111.9
108	V	48.9	Very low	51.5	Low	100 Å²	100	154.8 Å²	154.8	61%	0.606	77%	0.768	S	S	*	*			trans	-82.5	135.5	-172.8	174.6	0	0	0	0	110.5
109	T	45.4	Very low	51	Low	92 Å²	92	155.6 Å²	155.6	56%	0.564	77%	0.772	S	S	*	*				171.7	121.1	121.6	29.8	0	0	0	0	113.4
110	T	52.9	Low	50.8	Low	111 Å²	111	150.4 Å²	150.4	68%	0.681	76%	0.758	S	S	*	*			trans	51	92.1	141.7	62.4	0	0	0	0	120.2
111	H	47.4	Very low	50.8	Low	197 Å²	197	149.1 Å²	149.1	91%	0.912	76%	0.762	S	S	*	*			trans	-136.9	103.1	130.7	-71.8	-64.7	0	0	0	109.7
112	T	46.3	Very low	50.3	Low	139 Å²	139	148.6 Å²	148.6	85%	0.853	75%	0.754	S	S	*	*			trans	-58.6	155.8	167.1	24.6	0	0	0	0	111.8
113	P	45.2	Very low	49.9	Very low	98 Å²	98	141.4 Å²	141.4	64%	0.636	75%	0.749	S	S	*	*			trans	-89.6	136.3	-140.8	34	-33.7	0	0	0	112.4	N115	P113-N115 PolarHBondContact O-N 2.97Å
114	R	43.6	Very low	50	Low	237 Å²	237	141 Å²	141	89%	0.894	75%	0.746	S	S	*	*			trans	-85.1	91.9	149	-87	-176.3	163.1	141.7	-3.4	107.4	T116	R114-T116 PolarHBondContact O-N 2.97Å
115	N	53.5	Low	50.2	Low	148 Å²	148	137.8 Å²	137.8	79%	0.791	73%	0.734	S	S	*	*			trans	-66.1	81.2	160.8	-90.5	-24.6	0	0	0	108.5	P113	P113-N115 PolarHBondContact O-N 2.97Å
116	T	53.5	Low	50.7	Low	120 Å²	120	135.1 Å²	135.1	74%	0.736	73%	0.725	S	S	*	*			trans	-124.3	71.9	154.8	50.8	0	0	0	0	106	R114	R114-T116 PolarHBondContact O-N 2.97Å
117	R	46.8	Very low	50.6	Low	232 Å²	232	134.5 Å²	134.5	88%	0.875	73%	0.726	S	S	*	*			trans	-128.3	97.5	160.4	-72	-168	162.4	-173.1	-5.5	104.1
118	D	47.7	Very low	51.9	Low	142 Å²	142	128.7 Å²	128.7	76%	0.759	73%	0.729	S	S	*	*				78.6	83.4	103.6	-167.1	62.6	0	0	0	107.3	G120	D118-G120 PolarHBondContact O-N 2.9Å
119	E	51.7	Low	53.7	Low	190 Å²	190	127 Å²	127	89%	0.888	72%	0.719	S	S	*	*			trans	-66.7	52	152.8	-96.4	-93.8	99.3	0	0	108.3	A121	E119-A121 PolarHBondContact O-N 2.95Å
120	G	48.6	Very low	56.1	Low	37 Å²	37	125 Å²	125	38%	0.381	71%	0.706	S	S	.	*			trans	-75.2	65.4	151.9	0	0	0	0	0	106.5	D118 T122	D118-G120 PolarHBondContact O-N 2.9Å; G120-T122 PolarHBondContact O-N 2.85Å; G120-T122 PolarHBondContact O-OG1 3.25Å
121	A	51.5	Low	58.1	Low	78 Å²	78	121.9 Å²	121.9	65%	0.645	69%	0.689	S	S	*	*			trans	-63.6	80.2	160.6	0	0	0	0	0	106	E119 G123	E119-A121 PolarHBondContact O-N 2.95Å; A121-G123 PolarHBondContact O-N 2.98Å
122	T	47.9	Very low	60.5	Low	116 Å²	116	112.5 Å²	112.5	71%	0.712	65%	0.646	S	S	*	*			trans	-49.7	94.8	164	22.4	0	0	0	0	105.9	G120 L124	G120-T122 PolarHBondContact O-N 2.85Å; G120-T122 PolarHBondContact O-OG1 3.25Å; T122-L124 WeakPolarHBondContact O-CG 3.46Å; T122-L124 PolarHBondContact O-N 2.87Å
123	G	54.8	Low	63	Low	71 Å²	71	109.6 Å²	109.6	73%	0.732	63%	0.629	S	S	*	*			trans	41.8	16.6	133.4	0	0	0	0	0	119.2	A121 R125	A121-G123 PolarHBondContact O-N 2.98Å; G123-R125 PolarHBondContact O-N 3.18Å
124	L	56.8	Low	65.5	Low	152 Å²	152	108.5 Å²	108.5	80%	0.796	62%	0.617	S	S	*	*			trans	-78	75	175.3	-74.7	161.8	0	0	0	105.4	T122	T122-L124 WeakPolarHBondContact O-CG 3.46Å; T122-L124 PolarHBondContact O-N 2.87Å
125	R	61.4	Low	68.1	Low	150 Å²	150	99 Å²	99	57%	0.566	59%	0.587	S	S	*	*			trans	-39.7	125.2	154.4	-66.9	-99	106	-154.4	6.5	105.1	G123 S127	G123-R125 PolarHBondContact O-N 3.18Å; R125-S127 VanDerWaalsContact C-N 3.26Å; R125-S127 WeakPolarHBondContact O-CA 3.3Å; R125-S127 PolarHBondContact O-N 2.71Å; R125-S127 PolarHBondContact O-OG 2.91Å
126	P	56.7	Low	70.1	Confident	94 Å²	94	98.1 Å²	98.1	61%	0.61	58%	0.58	S	S	*	*			trans	-52.8	100.2	174.3	16	-27	0	0	0	107.7	G128 T129	P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 2.77Å; P126-T129 HydrophobicContact CB-CG2 3.99Å; P126-T129 HydrophobicContact CG-CG2 3.9Å; P126-T129 PolarHBondContact O-N 2.92Å
127	S	56.2	Low	72.2	Confident	115 Å²	115	94.3 Å²	94.3	80%	0.804	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	83	-166.2	-67.9	0	0	0	0	105.9	R125	R125-S127 VanDerWaalsContact C-N 3.26Å; R125-S127 WeakPolarHBondContact O-CA 3.3Å; R125-S127 PolarHBondContact O-N 2.71Å; R125-S127 PolarHBondContact O-OG 2.91Å
128	G	73.5	Confident	74.5	Confident	84 Å²	84	84.1 Å²	84.1	87%	0.866	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	157.4	-14.2	-179.2	0	0	0	0	0	115.4	P126	P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 2.77Å
129	T	87.3	Confident	76.8	Confident	65 Å²	65	81 Å²	81	40%	0.399	50%	0.5	S	S	.	.	S	Bend	trans	-101.2	139.8	178.4	-167.7	0	0	0	0	112.3	P126 S131	P126-T129 HydrophobicContact CB-CG2 3.99Å; P126-T129 HydrophobicContact CG-CG2 3.9Å; P126-T129 PolarHBondContact O-N 2.92Å; T129-S131 PolarHBondContact O-N 3.02Å
130	V	94	Very high	78.9	Confident	48 Å²	48	76.1 Å²	76.1	29%	0.291	49%	0.486	S	S	.	.			trans	-65.6	132	174.7	177.8	0	0	0	0	109	Y139 I149 V157 I190	V130-Y139 PolarHBondContact O-N 3.41Å; V130-I149 HydrophobicContact CG1-CD1 4.2Å; V130-I149 HydrophobicContact CG1-CG2 3.99Å; V130-V157 HydrophobicContact CG1-CG1 3.81Å; V130-I190 HydrophobicContact CB-CD1 3.84Å; V130-I190 HydrophobicContact CG2-CD1 3.42Å; V130-I190 VanDerWaalsContact CG2-CD1 3.42Å
131	S	96.8	Very high	81.2	Confident	47 Å²	47	78.8 Å²	78.8	33%	0.329	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-137.6	154	178.7	54.2	0	0	0	0	110.7	T129 D137	T129-S131 PolarHBondContact O-N 3.02Å; S131-D137 WeakPolarHBondContact CA-O 3.29Å; S131-D137 WeakPolarHBondContact CB-O 3.32Å
132	C	97.8	Very high	83.4	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	46%	0.458	C	S	.	.			trans	-87.1	122.1	174.1	179.2	0	0	0	0	109.9	I134 C135 M136 D137 I142 C159	C132-I134 PolarHBondContact O-N 3.49Å; C132-I134 VanDerWaalsContact O-N 3.1Å; C132-C135 VanDerWaalsContact CB-SG 3.57Å; C132-M136 WeakPolarHBondContact O-CA 3.48Å; C132-M136 PolarHBondContact O-N 3.27Å; C132-D137 PolarHBondContact N-O 3.42Å; C132-I142 HydrophobicContact CB-CD1 3.84Å; C132-C159 HydrophobicContact CB-CB 4.02Å; C132-C159 PolarHBondContact SG-N 3.01Å
133	P	97.4	Very high	85.7	Confident	78 Å²	78	73 Å²	73	51%	0.506	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-6.1	-177.3	29.5	-36.8	0	0	0	114.3	V157 F158	P133-V157 WeakPolarHBondContact CD-O 3.43Å; P133-F158 HydrophobicContact CG-CD1 3.64Å; P133-F158 HydrophobicContact CG-CE1 3.57Å
134	I	97.9	Very high	87.7	Confident	75 Å²	75	77.3 Å²	77.3	39%	0.385	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-54.6	-177.3	-60.2	167.5	0	0	0	110.8	C132 F158 C162 P174	C132-I134 PolarHBondContact O-N 3.49Å; C132-I134 VanDerWaalsContact O-N 3.1Å; I134-F158 HydrophobicContact CD1-CD1 3.54Å; I134-F158 HydrophobicContact CD1-CE1 3.96Å; I134-F158 HydrophobicContact CD1-CG 4.35Å; I134-F158 HydrophobicContact CG1-CD1 3.98Å; I134-F158 HydrophobicContact CG1-CE1 4.28Å; I134-C162 HydrophobicContact CB-CB 3.7Å; I134-C162 HydrophobicContact CD1-CB 3.67Å; I134-C162 HydrophobicContact CG1-CB 4.26Å; I134-C162 HydrophobicContact CG2-CB 3.77Å; I134-P174 HydrophobicContact CD1-CB 4.24Å; I134-P174 HydrophobicContact CD1-CG 4Å
135	C	97.8	Very high	89.6	Confident	38 Å²	38	75.3 Å²	75.3	26%	0.257	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.9	176.7	58	0	0	0	0	113.4	C132 D137	C132-C135 VanDerWaalsContact CB-SG 3.57Å; C135-D137 PolarHBondContact O-N 3.31Å; C135-D137 VanDerWaalsContact SG-CG 3.56Å; C135-D137 PolarHBondContact SG-OD2 3.22Å
136	M	96.7	Very high	91.3	Very high	129 Å²	129	71.4 Å²	71.4	64%	0.635	44%	0.443	S	S	*	.			trans	65.8	4.1	-176.5	-52.1	-173.9	-176.8	0	0	115.6	C132	C132-M136 WeakPolarHBondContact O-CA 3.48Å; C132-M136 PolarHBondContact O-N 3.27Å
137	D	96.8	Very high	93.2	Very high	40 Å²	40	68 Å²	68	21%	0.214	42%	0.418	C	S	.	.			trans	-68.8	143.9	177.4	-55.6	-30	0	0	0	112	S131 C132 C135 E141 I142 R147	S131-D137 WeakPolarHBondContact CA-O 3.29Å; S131-D137 WeakPolarHBondContact CB-O 3.32Å; C132-D137 PolarHBondContact N-O 3.42Å; C135-D137 PolarHBondContact O-N 3.31Å; C135-D137 VanDerWaalsContact SG-CG 3.56Å; C135-D137 PolarHBondContact SG-OD2 3.22Å; D137-E141 WeakPolarHBondContact CA-OE2 3.25Å; D137-E141 HydrophobicContact CB-CB 4.1Å; D137-E141 WeakPolarHBondContact CB-OE2 3.29Å; D137-I142 HydrophobicContact CB-CD1 4.37Å; D137-I142 HydrophobicContact CB-CG1 3.84Å; D137-I142 WeakPolarHBondContact O-CD1 3.42Å; D137-R147 IonicContact OD2-CZ 3.47Å; D137-R147 IonicContact OD2-NH1 3.19Å; D137-R147 PolarHBondContact OD2-NH1 2.82Å; D137-R147 IonicContact OD2-NH2 2.84Å; D137-R147 PolarHBondContact OD2-NH2 3.28Å
138	G	95.9	Very high	95.2	Very high	17 Å²	17	66.4 Å²	66.4	18%	0.175	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-82.4	169.3	174.1	0	0	0	0	0	113.5	S140 E141 I142	G138-S140 VanDerWaalsContact C-N 3.31Å; G138-S140 PolarHBondContact O-N 3.33Å; G138-E141 PolarHBondContact N-OE2 3.12Å; G138-E141 PolarHBondContact O-N 3.15Å; G138-I142 VanDerWaalsContact O-CG1 3.25Å; G138-I142 WeakPolarHBondContact O-CG1 3.18Å; G138-I142 PolarHBondContact O-N 3.31Å
139	Y	95.9	Very high	96.4	Very high	77 Å²	77	62.6 Å²	62.6	30%	0.302	36%	0.36	S	S	.	.	H	α-helix	trans	-48.2	-50.1	178.8	176.7	-93.7	0	0	0	113	V130 E141 I142 V143 I149 I190	V130-Y139 PolarHBondContact O-N 3.41Å; Y139-E141 PolarHBondContact O-N 2.9Å; Y139-I142 PolarHBondContact O-N 2.83Å; Y139-V143 HydrophobicContact CD1-CG2 4.48Å; Y139-V143 HydrophobicContact CD2-CG2 4.38Å; Y139-V143 HydrophobicContact CE1-CG2 4.16Å; Y139-V143 HydrophobicContact CE2-CG2 4.07Å; Y139-V143 WeakPolarHBondContact O-CG2 3.15Å; Y139-V143 PolarHBondContact O-N 3.44Å; Y139-I149 HydrophobicContact CD2-CD1 4.35Å; Y139-I149 HydrophobicContact CD2-CG1 3.84Å; Y139-I149 HydrophobicContact CE2-CG1 4.2Å; Y139-I190 HydrophobicContact CD2-CD1 3.66Å; Y139-I190 HydrophobicContact CD2-CG1 3.88Å; Y139-I190 HydrophobicContact CE2-CD1 3.73Å; Y139-I190 HydrophobicContact CE2-CG1 3.37Å; Y139-I190 PolarHBondContact OH-O 3.44Å
140	S	95.1	Very high	96.8	Very high	87 Å²	87	59.7 Å²	59.7	61%	0.608	34%	0.342	S	S	*	.	H	α-helix	trans	-59.5	-45.9	-178	-51.3	0	0	0	0	112.4	G138 I142 Q144	G138-S140 VanDerWaalsContact C-N 3.31Å; G138-S140 PolarHBondContact O-N 3.33Å; S140-I142 VanDerWaalsContact C-N 3.34Å; S140-I142 PolarHBondContact O-N 2.67Å; S140-Q144 WeakPolarHBondContact O-CB 3.34Å; S140-Q144 PolarHBondContact O-N 3.04Å
141	E	97.1	Very high	97	Very high	94 Å²	94	58.2 Å²	58.2	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-33	179.6	-64.9	166.3	177	0	0	112.1	D137 G138 Y139 N145	D137-E141 WeakPolarHBondContact CA-OE2 3.25Å; D137-E141 HydrophobicContact CB-CB 4.1Å; D137-E141 WeakPolarHBondContact CB-OE2 3.29Å; G138-E141 PolarHBondContact N-OE2 3.12Å; G138-E141 PolarHBondContact O-N 3.15Å; Y139-E141 PolarHBondContact O-N 2.9Å; E141-N145 WeakPolarHBondContact O-CB 3.36Å; E141-N145 VanDerWaalsContact O-CG 3.3Å; E141-N145 PolarHBondContact O-N 3.28Å; E141-N145 PolarHBondContact O-ND2 3.07Å
142	I	97.3	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-52.4	176.6	-68.6	166.2	0	0	0	110	C132 D137 G138 Y139 S140 N145 R147 I149 C159	C132-I142 HydrophobicContact CB-CD1 3.84Å; D137-I142 HydrophobicContact CB-CD1 4.37Å; D137-I142 HydrophobicContact CB-CG1 3.84Å; D137-I142 WeakPolarHBondContact O-CD1 3.42Å; G138-I142 VanDerWaalsContact O-CG1 3.25Å; G138-I142 WeakPolarHBondContact O-CG1 3.18Å; G138-I142 PolarHBondContact O-N 3.31Å; Y139-I142 PolarHBondContact O-N 2.83Å; S140-I142 VanDerWaalsContact C-N 3.34Å; S140-I142 PolarHBondContact O-N 2.67Å; I142-N145 PolarHBondContact O-N 3.4Å; I142-R147 HydrophobicContact CG2-CB 3.78Å; I142-R147 WeakPolarHBondContact O-CB 3.39Å; I142-R147 PolarHBondContact O-N 3.49Å; I142-I149 HydrophobicContact CB-CD1 4.09Å; I142-I149 HydrophobicContact CD1-CD1 3.45Å; I142-I149 VanDerWaalsContact CD1-CD1 3.45Å; I142-I149 HydrophobicContact CG1-CD1 4.35Å; I142-I149 HydrophobicContact CG2-CD1 3.73Å; I142-I149 HydrophobicContact CG2-CG1 4.35Å; I142-C159 HydrophobicContact CD1-CB 3.99Å; I142-C159 HydrophobicContact CG1-CB 4.07Å; I142-C159 HydrophobicContact CG2-CB 3.79Å
143	V	95.8	Very high	96.9	Very high	73 Å²	73	62 Å²	62	44%	0.442	35%	0.346	S	S	.	.	H	α-helix	trans	-69.9	-38.9	-177.5	178.4	0	0	0	0	111.6	Y139 N145 G146	Y139-V143 HydrophobicContact CD1-CG2 4.48Å; Y139-V143 HydrophobicContact CD2-CG2 4.38Å; Y139-V143 HydrophobicContact CE1-CG2 4.16Å; Y139-V143 HydrophobicContact CE2-CG2 4.07Å; Y139-V143 WeakPolarHBondContact O-CG2 3.15Å; Y139-V143 PolarHBondContact O-N 3.44Å; V143-N145 PolarHBondContact O-N 3.33Å; V143-G146 WeakPolarHBondContact O-CA 3.48Å; V143-G146 PolarHBondContact O-N 3.35Å
144	Q	97	Very high	96.8	Very high	161 Å²	161	59.4 Å²	59.4	75%	0.752	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-35.6	177.2	-174.7	174.5	31.8	0	0	112.3	S140 G146	S140-Q144 WeakPolarHBondContact O-CB 3.34Å; S140-Q144 PolarHBondContact O-N 3.04Å; Q144-G146 PolarHBondContact O-N 2.84Å
145	N	97.1	Very high	96.7	Very high	110 Å²	110	58.4 Å²	58.4	59%	0.588	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	9.4	175.8	-68	-17.7	0	0	0	113.3	E141 I142 V143 R147	E141-N145 WeakPolarHBondContact O-CB 3.36Å; E141-N145 VanDerWaalsContact O-CG 3.3Å; E141-N145 PolarHBondContact O-N 3.28Å; E141-N145 PolarHBondContact O-ND2 3.07Å; I142-N145 PolarHBondContact O-N 3.4Å; V143-N145 PolarHBondContact O-N 3.33Å; N145-R147 PolarHBondContact O-N 3.47Å
146	G	96.4	Very high	96.7	Very high	67 Å²	67	59 Å²	59	69%	0.691	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	17.3	-180	0	0	0	0	0	114.2	V143 Q144	V143-G146 WeakPolarHBondContact O-CA 3.48Å; V143-G146 PolarHBondContact O-N 3.35Å; Q144-G146 PolarHBondContact O-N 2.84Å
147	R	97.8	Very high	96.8	Very high	23 Å²	23	55 Å²	55	9%	0.087	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-90.4	156.2	174.3	-61.3	175.3	-61.9	173.3	-3.8	109.4	D137 I142 N145 Q161	D137-R147 IonicContact OD2-CZ 3.47Å; D137-R147 IonicContact OD2-NH1 3.19Å; D137-R147 PolarHBondContact OD2-NH1 2.82Å; D137-R147 IonicContact OD2-NH2 2.84Å; D137-R147 PolarHBondContact OD2-NH2 3.28Å; I142-R147 HydrophobicContact CG2-CB 3.78Å; I142-R147 WeakPolarHBondContact O-CB 3.39Å; I142-R147 PolarHBondContact O-N 3.49Å; N145-R147 PolarHBondContact O-N 3.47Å; R147-Q161 VanDerWaalsContact CD-OE1 3.23Å; R147-Q161 HydrophobicContact CG-CB 4.39Å
148	L	97.6	Very high	96.8	Very high	81 Å²	81	53.1 Å²	53.1	42%	0.424	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-103.3	148.8	178.8	-58.4	174.5	0	0	0	109.8	V150 C159 S160 P187	L148-V150 HydrophobicContact CB-CG1 4.39Å; L148-C159 CarbonylContact O-C 3.59Å; L148-C159 VanDerWaalsContact O-CA 3.29Å; L148-C159 WeakPolarHBondContact O-CA 3.43Å; L148-S160 PolarHBondContact N-OG 3.37Å; L148-S160 VanDerWaalsContact N-OG 3.15Å; L148-S160 PolarHBondContact O-N 3.27Å; L148-P187 HydrophobicContact CD1-CB 4.25Å
149	I	98.1	Very high	97	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129	161.6	-56.6	-67.7	0	0	0	107.5	V130 Y139 I142 V157 P187 I188	V130-I149 HydrophobicContact CG1-CD1 4.2Å; V130-I149 HydrophobicContact CG1-CG2 3.99Å; Y139-I149 HydrophobicContact CD2-CD1 4.35Å; Y139-I149 HydrophobicContact CD2-CG1 3.84Å; Y139-I149 HydrophobicContact CE2-CG1 4.2Å; I142-I149 HydrophobicContact CB-CD1 4.09Å; I142-I149 HydrophobicContact CD1-CD1 3.45Å; I142-I149 VanDerWaalsContact CD1-CD1 3.45Å; I142-I149 HydrophobicContact CG1-CD1 4.35Å; I142-I149 HydrophobicContact CG2-CD1 3.73Å; I142-I149 HydrophobicContact CG2-CG1 4.35Å; I149-V157 HydrophobicContact CG2-CG1 3.4Å; I149-V157 VanDerWaalsContact CG2-CG1 3.4Å; I149-P187 VanDerWaalsContact O-CA 3.32Å; I149-P187 WeakPolarHBondContact O-CA 3.28Å; I149-I188 HydrophobicContact CB-CG1 4.11Å; I149-I188 HydrophobicContact CG2-CD1 3.69Å; I149-I188 HydrophobicContact CG2-CG1 3.54Å; I149-I188 PolarHBondContact O-N 2.83Å
150	V	97.4	Very high	97	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.7	179.9	-64.6	0	0	0	0	110	L148 V157 F158 L163 Y185 H186	L148-V150 HydrophobicContact CB-CG1 4.39Å; V150-V157 WeakPolarHBondContact O-CA 3.19Å; V150-F158 HydrophobicContact CG2-CB 4.41Å; V150-F158 WeakPolarHBondContact CG2-O 3.29Å; V150-F158 PolarHBondContact N-O 3.09Å; V150-F158 PolarHBondContact O-N 2.84Å; V150-L163 HydrophobicContact CG2-CB 4.11Å; V150-L163 HydrophobicContact CG2-CD2 3.63Å; V150-Y185 HydrophobicContact CB-CD2 4.11Å; V150-Y185 HydrophobicContact CG1-CD2 4.25Å; V150-Y185 HydrophobicContact CG2-CD2 4.38Å; V150-H186 CarbonylContact C-O 3.58Å; V150-H186 VanDerWaalsContact CA-O 3.3Å; V150-H186 WeakPolarHBondContact CA-O 3.29Å
151	S	97.1	Very high	97.2	Very high	17 Å²	17	50 Å²	50	12%	0.119	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.7	169.8	-169	0	0	0	0	109.8	Y185 H186	S151-Y185 CarbonylContact O-C 3.56Å; S151-Y185 WeakPolarHBondContact O-CA 3.32Å; S151-Y185 VanDerWaalsContact O-CB 3.29Å; S151-Y185 WeakPolarHBondContact O-CB 3.4Å; S151-H186 PolarHBondContact N-O 2.97Å; S151-H186 PolarHBondContact O-N 3.03Å
152	T	97.1	Very high	97.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	156.3	170.2	56.5	0	0	0	0	109.6	C154 G155 H156 F158 L163 I180	T152-C154 PolarHBondContact O-N 3.44Å; T152-C154 PolarHBondContact OG1-SG 3.12Å; T152-G155 PolarHBondContact O-N 3.35Å; T152-H156 PolarHBondContact N-O 3.23Å; T152-H156 PolarHBondContact OG1-N 3.44Å; T152-H156 VanDerWaalsContact OG1-N 3.15Å; T152-H156 PolarHBondContact OG1-O 3.39Å; T152-F158 HydrophobicContact CG2-CD2 4.23Å; T152-F158 HydrophobicContact CG2-CE2 4.03Å; T152-L163 HydrophobicContact CG2-CD1 4.11Å; T152-L163 HydrophobicContact CG2-CD2 3.81Å; T152-I180 HydrophobicContact CG2-CD1 3.49Å; T152-I180 VanDerWaalsContact CG2-CD1 3.49Å
153	E	95.6	Very high	97.2	Very high	123 Å²	123	46.2 Å²	46.2	58%	0.575	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.2	173.9	-73.8	175.1	-169.2	0	0	113.3	G155 R184	E153-G155 VanDerWaalsContact C-N 3.3Å; E153-R184 HydrophobicContact CG-CB 4.04Å; E153-R184 PolarHBondContact N-O 3.37Å; E153-R184 VanDerWaalsContact N-O 3.07Å; E153-R184 WeakPolarHBondContact OE1-CA 3.22Å; E153-R184 WeakPolarHBondContact OE1-CB 3.28Å; E153-R184 VanDerWaalsContact OE1-CG 3.28Å; E153-R184 WeakPolarHBondContact OE1-CG 3.39Å; E153-R184 WeakPolarHBondContact OE2-CD 3.4Å; E153-R184 WeakPolarHBondContact OE2-CG 3.38Å; E153-R184 IonicContact OE2-NE 3.13Å; E153-R184 PolarHBondContact OE2-NE 3.37Å
154	C	96.4	Very high	97.2	Very high	25 Å²	25	49.6 Å²	49.6	17%	0.169	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	7.2	174.4	68.9	0	0	0	0	114.7	T152 H156 C176 K178	T152-C154 PolarHBondContact O-N 3.44Å; T152-C154 PolarHBondContact OG1-SG 3.12Å; C154-H156 PolarHBondContact O-ND1 2.98Å; C154-H156 PolarHBondContact SG-ND1 3.39Å; C154-C176 PolarHBondContact SG-SG 2.82Å; C154-K178 HydrophobicContact CB-CB 4.31Å; C154-K178 HydrophobicContact CB-CD 3.87Å
155	G	95.7	Very high	97.2	Very high	53 Å²	53	44.7 Å²	44.7	55%	0.546	25%	0.252	S	S	.	.	S	Bend	trans	85.4	2.1	172.9	0	0	0	0	0	115.7	T152 E153	T152-G155 PolarHBondContact O-N 3.35Å; E153-G155 VanDerWaalsContact C-N 3.3Å
156	H	97.6	Very high	97.1	Very high	52 Å²	52	41.1 Å²	41.1	24%	0.241	24%	0.236	C	C	.	.			trans	-89.6	134.7	179.2	-61.9	97	0	0	0	111.4	T152 C154 F158 T175 C176	T152-H156 PolarHBondContact N-O 3.23Å; T152-H156 PolarHBondContact OG1-N 3.44Å; T152-H156 VanDerWaalsContact OG1-N 3.15Å; T152-H156 PolarHBondContact OG1-O 3.39Å; C154-H156 PolarHBondContact O-ND1 2.98Å; C154-H156 PolarHBondContact SG-ND1 3.39Å; H156-F158 HydrophobicContact CB-CE2 3.58Å; H156-F158 HydrophobicContact CB-CZ 3.81Å; H156-T175 WeakPolarHBondContact CD2-CB 3.33Å; H156-T175 WeakPolarHBondContact CD2-CG2 3.42Å; H156-T175 WeakPolarHBondContact NE2-CG2 3.32Å; H156-C176 WeakPolarHBondContact CE1-CB 3.32Å; H156-C176 PolarHBondContact CE1-SG 2.75Å; H156-C176 PolarHBondContact ND1-SG 3.13Å; H156-C176 VanDerWaalsContact ND1-SG 3.44Å
157	V	97.8	Very high	97	Very high	43 Å²	43	38.8 Å²	38.8	26%	0.261	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.5	-173	-179.1	0	0	0	0	111.1	V130 P133 I149 V150 I188	V130-V157 HydrophobicContact CG1-CG1 3.81Å; P133-V157 WeakPolarHBondContact CD-O 3.43Å; I149-V157 HydrophobicContact CG2-CG1 3.4Å; I149-V157 VanDerWaalsContact CG2-CG1 3.4Å; V150-V157 WeakPolarHBondContact O-CA 3.19Å; V157-I188 HydrophobicContact CG1-CD1 4.24Å; V157-I188 HydrophobicContact CG2-CD1 4.21Å
158	F	98.1	Very high	96.8	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	171.4	178.5	-51.9	-84.8	0	0	0	110.2	P133 I134 V150 T152 H156 L163 P174 T175	P133-F158 HydrophobicContact CG-CD1 3.64Å; P133-F158 HydrophobicContact CG-CE1 3.57Å; I134-F158 HydrophobicContact CD1-CD1 3.54Å; I134-F158 HydrophobicContact CD1-CE1 3.96Å; I134-F158 HydrophobicContact CD1-CG 4.35Å; I134-F158 HydrophobicContact CG1-CD1 3.98Å; I134-F158 HydrophobicContact CG1-CE1 4.28Å; V150-F158 HydrophobicContact CG2-CB 4.41Å; V150-F158 WeakPolarHBondContact CG2-O 3.29Å; V150-F158 PolarHBondContact N-O 3.09Å; V150-F158 PolarHBondContact O-N 2.84Å; T152-F158 HydrophobicContact CG2-CD2 4.23Å; T152-F158 HydrophobicContact CG2-CE2 4.03Å; H156-F158 HydrophobicContact CB-CE2 3.58Å; H156-F158 HydrophobicContact CB-CZ 3.81Å; F158-L163 HydrophobicContact CB-CB 4.06Å; F158-L163 HydrophobicContact CD2-CD1 3.98Å; F158-L163 HydrophobicContact CD2-CD2 4.4Å; F158-L163 HydrophobicContact CE2-CD1 4.28Å; F158-L163 HydrophobicContact CG-CB 4.47Å; F158-P174 HydrophobicContact CE1-CB 3.82Å; F158-P174 HydrophobicContact CE1-CG 3.93Å; F158-P174 HydrophobicContact CE2-CG 4.48Å; F158-P174 HydrophobicContact CZ-CB 3.9Å; F158-P174 HydrophobicContact CZ-CG 3.86Å; F158-T175 WeakPolarHBondContact CZ-OG1 3.42Å
159	C	98.3	Very high	96.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	153.1	161.8	78.2	0	0	0	0	110.3	C132 I142 L148 Q161 C162 L163	C132-C159 HydrophobicContact CB-CB 4.02Å; C132-C159 PolarHBondContact SG-N 3.01Å; I142-C159 HydrophobicContact CD1-CB 3.99Å; I142-C159 HydrophobicContact CG1-CB 4.07Å; I142-C159 HydrophobicContact CG2-CB 3.79Å; L148-C159 CarbonylContact O-C 3.59Å; L148-C159 VanDerWaalsContact O-CA 3.29Å; L148-C159 WeakPolarHBondContact O-CA 3.43Å; C159-Q161 PolarHBondContact O-N 2.65Å; C159-C162 PolarHBondContact O-N 3.18Å; C159-C162 VanDerWaalsContact SG-CB 3.58Å; C159-C162 PolarHBondContact SG-N 3.18Å; C159-C162 VanDerWaalsContact SG-N 3.44Å; C159-C162 PolarHBondContact SG-SG 2.88Å; C159-L163 PolarHBondContact O-N 3.23Å; C159-L163 VanDerWaalsContact O-N 3.12Å
160	S	97.3	Very high	96.4	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-33.6	-175.5	59.6	0	0	0	0	113.3	L148 R164	L148-S160 PolarHBondContact N-OG 3.37Å; L148-S160 VanDerWaalsContact N-OG 3.15Å; L148-S160 PolarHBondContact O-N 3.27Å; S160-R164 WeakPolarHBondContact O-CB 3.48Å; S160-R164 PolarHBondContact O-N 3.16Å
161	Q	97.9	Very high	96.3	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-53.7	178.6	-175.3	174.6	4.4	0	0	111.5	R147 C159 L163 R164 D165	R147-Q161 VanDerWaalsContact CD-OE1 3.23Å; R147-Q161 HydrophobicContact CG-CB 4.39Å; C159-Q161 PolarHBondContact O-N 2.65Å; Q161-L163 PolarHBondContact O-N 2.59Å; Q161-R164 PolarHBondContact O-N 3.43Å; Q161-D165 PolarHBondContact O-N 3.17Å
162	C	98.1	Very high	96.2	Very high	16 Å²	16	54.6 Å²	54.6	11%	0.108	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-39.1	-177.3	-69.1	0	0	0	0	112.8	I134 C159 D165 S166	I134-C162 HydrophobicContact CB-CB 3.7Å; I134-C162 HydrophobicContact CD1-CB 3.67Å; I134-C162 HydrophobicContact CG1-CB 4.26Å; I134-C162 HydrophobicContact CG2-CB 3.77Å; C159-C162 PolarHBondContact O-N 3.18Å; C159-C162 VanDerWaalsContact SG-CB 3.58Å; C159-C162 PolarHBondContact SG-N 3.18Å; C159-C162 VanDerWaalsContact SG-N 3.44Å; C159-C162 PolarHBondContact SG-SG 2.88Å; C162-D165 PolarHBondContact O-N 2.88Å; C162-S166 WeakPolarHBondContact O-CB 3.16Å; C162-S166 PolarHBondContact O-N 3.07Å
163	L	96.9	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-44.3	174.9	-176.6	60.7	0	0	0	111.2	V150 T152 F158 C159 Q161 D165 S166 L167 Y185	V150-L163 HydrophobicContact CG2-CB 4.11Å; V150-L163 HydrophobicContact CG2-CD2 3.63Å; T152-L163 HydrophobicContact CG2-CD1 4.11Å; T152-L163 HydrophobicContact CG2-CD2 3.81Å; F158-L163 HydrophobicContact CB-CB 4.06Å; F158-L163 HydrophobicContact CD2-CD1 3.98Å; F158-L163 HydrophobicContact CD2-CD2 4.4Å; F158-L163 HydrophobicContact CE2-CD1 4.28Å; F158-L163 HydrophobicContact CG-CB 4.47Å; C159-L163 PolarHBondContact O-N 3.23Å; C159-L163 VanDerWaalsContact O-N 3.12Å; Q161-L163 PolarHBondContact O-N 2.59Å; L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 2.8Å; L163-S166 PolarHBondContact O-N 2.97Å; L163-L167 HydrophobicContact CD1-CD1 4.25Å; L163-L167 HydrophobicContact CD1-CG 4.26Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.21Å; L163-L167 PolarHBondContact O-N 2.88Å; L163-Y185 HydrophobicContact CD2-CD1 3.91Å; L163-Y185 HydrophobicContact CD2-CD2 3.68Å; L163-Y185 HydrophobicContact CD2-CE1 4.43Å; L163-Y185 HydrophobicContact CD2-CE2 4.24Å; L163-Y185 HydrophobicContact CD2-CG 3.5Å; L163-Y185 VanDerWaalsContact CD2-CG 3.5Å
164	R	95.7	Very high	96.3	Very high	143 Å²	143	51.2 Å²	51.2	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-44.2	177.4	-174.6	-171.5	-57.7	173.5	1.1	111.5	S160 Q161 L167 K168	S160-R164 WeakPolarHBondContact O-CB 3.48Å; S160-R164 PolarHBondContact O-N 3.16Å; Q161-R164 PolarHBondContact O-N 3.43Å; R164-L167 PolarHBondContact O-N 3.1Å; R164-K168 WeakPolarHBondContact O-CG 3.18Å; R164-K168 PolarHBondContact O-N 2.88Å
165	D	96.6	Very high	96.3	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-43.2	179.5	-68.7	-28.3	0	0	0	111.5	Q161 C162 L163 L167 K168 N169	Q161-D165 PolarHBondContact O-N 3.17Å; C162-D165 PolarHBondContact O-N 2.88Å; L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 2.8Å; D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 2.95Å; D165-K168 WeakPolarHBondContact O-CB 3.17Å; D165-K168 PolarHBondContact O-N 3.49Å; D165-K168 VanDerWaalsContact O-N 3.09Å; D165-K168 WeakPolarHBondContact OD1-CE 3.41Å; D165-K168 IonicContact OD1-NZ 2.75Å; D165-K168 PolarHBondContact OD1-NZ 3Å; D165-N169 PolarHBondContact O-OD1 2.96Å
166	S	95.7	Very high	96.4	Very high	35 Å²	35	53.8 Å²	53.8	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-40.7	174.2	-174.3	0	0	0	0	112.4	C162 L163 K168 N169 A170	C162-S166 WeakPolarHBondContact O-CB 3.16Å; C162-S166 PolarHBondContact O-N 3.07Å; L163-S166 PolarHBondContact O-N 2.97Å; S166-K168 PolarHBondContact O-N 3.09Å; S166-N169 PolarHBondContact O-N 3.31Å; S166-N169 VanDerWaalsContact O-N 3.09Å; S166-A170 PolarHBondContact O-N 3.09Å
167	L	94.2	Very high	96.3	Very high	19 Å²	19	61 Å²	61	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-15.2	179.6	-69.5	175.6	0	0	0	113.4	L163 R164 D165 N169 A170 I180 Y185	L163-L167 HydrophobicContact CD1-CD1 4.25Å; L163-L167 HydrophobicContact CD1-CG 4.26Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.21Å; L163-L167 PolarHBondContact O-N 2.88Å; R164-L167 PolarHBondContact O-N 3.1Å; D165-L167 VanDerWaalsContact C-N 3.29Å; D165-L167 PolarHBondContact O-N 2.95Å; L167-N169 VanDerWaalsContact C-N 3.31Å; L167-A170 WeakPolarHBondContact CA-O 3.43Å; L167-I180 HydrophobicContact CD1-CG2 4.43Å; L167-I180 HydrophobicContact CD2-CB 4.11Å; L167-I180 HydrophobicContact CD2-CG2 4.31Å; L167-Y185 HydrophobicContact CD1-CD1 3.96Å; L167-Y185 HydrophobicContact CD1-CE1 3.6Å
168	K	94	Very high	96.2	Very high	151 Å²	151	65 Å²	65	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-70	-30.3	169.3	-66.2	170.2	-175.5	164.9	0	111.9	R164 D165 S166	R164-K168 WeakPolarHBondContact O-CG 3.18Å; R164-K168 PolarHBondContact O-N 2.88Å; D165-K168 WeakPolarHBondContact O-CB 3.17Å; D165-K168 PolarHBondContact O-N 3.49Å; D165-K168 VanDerWaalsContact O-N 3.09Å; D165-K168 WeakPolarHBondContact OD1-CE 3.41Å; D165-K168 IonicContact OD1-NZ 2.75Å; D165-K168 PolarHBondContact OD1-NZ 3Å; S166-K168 PolarHBondContact O-N 3.09Å
169	N	93.7	Very high	96.1	Very high	148 Å²	148	72 Å²	72	79%	0.791	36%	0.358	S	S	*	.	H	α-helix	trans	-94.9	-40.9	-177.7	-61	99.1	0	0	0	112.5	D165 S166 L167	D165-N169 PolarHBondContact O-OD1 2.96Å; S166-N169 PolarHBondContact O-N 3.31Å; S166-N169 VanDerWaalsContact O-N 3.09Å; L167-N169 VanDerWaalsContact C-N 3.31Å
170	A	93.7	Very high	95.8	Very high	42 Å²	42	72.3 Å²	72.3	35%	0.347	36%	0.359	S	S	.	.			trans	-148.6	134.9	-179.8	0	0	0	0	0	111.5	S166 L167 T172	S166-A170 PolarHBondContact O-N 3.09Å; L167-A170 WeakPolarHBondContact CA-O 3.43Å; A170-T172 PolarHBondContact O-N 3.34Å
171	N	94.7	Very high	95	Very high	79 Å²	79	75.3 Å²	75.3	42%	0.422	37%	0.374	S	S	.	.	S	Bend	trans	-80.7	40.3	178.1	64	0.1	0	0	0	113.2	K179 I180	N171-K179 CarbonylContact O-C 3.57Å; N171-K179 WeakPolarHBondContact O-CA 3.39Å; N171-I180 PolarHBondContact O-N 2.7Å
172	T	96.1	Very high	93.9	Very high	42 Å²	42	77.7 Å²	77.7	26%	0.258	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-130.4	146.2	-176.9	54.3	0	0	0	0	110.9	A170 K178 K179	A170-T172 PolarHBondContact O-N 3.34Å; T172-K178 CarbonylContact C-O 3.46Å; T172-K178 WeakPolarHBondContact CA-O 3.24Å; T172-K179 HydrophobicContact CG2-CG 4.33Å
173	C	97	Very high	92.9	Very high	0 Å²	0	86.2 Å²	86.2	0%	0	42%	0.42	C	S	.	.			trans	-56.5	128.2	174.9	-176.3	0	0	0	0	111.3	T175 R177 K178 I180	C173-T175 PolarHBondContact O-N 3.2Å; C173-T175 VanDerWaalsContact O-N 3.16Å; C173-T175 PolarHBondContact SG-N 2.71Å; C173-T175 VanDerWaalsContact SG-N 3.43Å; C173-R177 WeakPolarHBondContact O-CA 3.47Å; C173-R177 PolarHBondContact O-N 2.86Å; C173-K178 PolarHBondContact N-O 2.7Å; C173-I180 VanDerWaalsContact CA-CD1 3.42Å; C173-I180 HydrophobicContact CB-CD1 3.62Å; C173-I180 HydrophobicContact CB-CG1 4.15Å
174	P	96.8	Very high	92.4	Very high	53 Å²	53	91 Å²	91	34%	0.344	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28	175.6	-26.1	34.4	0	0	0	113.8	I134 F158	I134-P174 HydrophobicContact CD1-CB 4.24Å; I134-P174 HydrophobicContact CD1-CG 4Å; F158-P174 HydrophobicContact CE1-CB 3.82Å; F158-P174 HydrophobicContact CE1-CG 3.93Å; F158-P174 HydrophobicContact CE2-CG 4.48Å; F158-P174 HydrophobicContact CZ-CB 3.9Å; F158-P174 HydrophobicContact CZ-CG 3.86Å
175	T	97.3	Very high	92.3	Very high	76 Å²	76	87.3 Å²	87.3	47%	0.466	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-54.1	-176.2	-47.4	0	0	0	0	112.8	H156 F158 C173	H156-T175 WeakPolarHBondContact CD2-CB 3.33Å; H156-T175 WeakPolarHBondContact CD2-CG2 3.42Å; H156-T175 WeakPolarHBondContact NE2-CG2 3.32Å; F158-T175 WeakPolarHBondContact CZ-OG1 3.42Å; C173-T175 PolarHBondContact O-N 3.2Å; C173-T175 VanDerWaalsContact O-N 3.16Å; C173-T175 PolarHBondContact SG-N 2.71Å; C173-T175 VanDerWaalsContact SG-N 3.43Å
176	C	97.4	Very high	92.3	Very high	56 Å²	56	89.2 Å²	89.2	38%	0.378	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	1.2	-174.2	70.3	0	0	0	0	114.9	C154 H156 K178	C154-C176 PolarHBondContact SG-SG 2.82Å; H156-C176 WeakPolarHBondContact CE1-CB 3.32Å; H156-C176 PolarHBondContact CE1-SG 2.75Å; H156-C176 PolarHBondContact ND1-SG 3.13Å; H156-C176 VanDerWaalsContact ND1-SG 3.44Å; C176-K178 PolarHBondContact O-N 2.89Å
177	R	95.7	Very high	92.4	Very high	205 Å²	205	90 Å²	90	77%	0.774	44%	0.436	S	S	*	.			trans	59.8	7.5	-179.4	-52.4	-179.9	-178.8	175.8	-0.5	115.6	C173 K179	C173-R177 WeakPolarHBondContact O-CA 3.47Å; C173-R177 PolarHBondContact O-N 2.86Å; R177-K179 PolarHBondContact O-N 3.41Å
178	K	95.9	Very high	92.5	Very high	127 Å²	127	91.3 Å²	91.3	55%	0.552	44%	0.442	S	S	*	.			trans	-58.7	137.3	171.8	-168.2	177.7	-59.5	-175	0	109.3	C154 T172 C173 C176 I180	C154-K178 HydrophobicContact CB-CB 4.31Å; C154-K178 HydrophobicContact CB-CD 3.87Å; T172-K178 CarbonylContact C-O 3.46Å; T172-K178 WeakPolarHBondContact CA-O 3.24Å; C173-K178 PolarHBondContact N-O 2.7Å; C176-K178 PolarHBondContact O-N 2.89Å; K178-I180 PolarHBondContact O-N 2.77Å
179	K	95	Very high	92.6	Very high	147 Å²	147	93 Å²	93	64%	0.639	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-61.4	127.2	176.8	-73.5	-175.1	176.4	-179	0	110.7	N171 T172 R177	N171-K179 CarbonylContact O-C 3.57Å; N171-K179 WeakPolarHBondContact O-CA 3.39Å; T172-K179 HydrophobicContact CG2-CG 4.33Å; R177-K179 PolarHBondContact O-N 3.41Å
180	I	92	Very high	92.3	Very high	6 Å²	6	92.4 Å²	92.4	3%	0.031	44%	0.441	C	S	.	.			trans	-115.1	113.3	176.8	-56.4	177	0	0	0	106.7	T152 L167 N171 C173 K178 R184 Y185	T152-I180 HydrophobicContact CG2-CD1 3.49Å; T152-I180 VanDerWaalsContact CG2-CD1 3.49Å; L167-I180 HydrophobicContact CD1-CG2 4.43Å; L167-I180 HydrophobicContact CD2-CB 4.11Å; L167-I180 HydrophobicContact CD2-CG2 4.31Å; N171-I180 PolarHBondContact O-N 2.7Å; C173-I180 VanDerWaalsContact CA-CD1 3.42Å; C173-I180 HydrophobicContact CB-CD1 3.62Å; C173-I180 HydrophobicContact CB-CG1 4.15Å; K178-I180 PolarHBondContact O-N 2.77Å; I180-R184 HydrophobicContact CG2-CB 3.85Å; I180-Y185 HydrophobicContact CG2-CD1 4.46Å
181	N	81.6	Confident	92.3	Very high	80 Å²	80	95 Å²	95	43%	0.428	45%	0.446	S	S	.	.			trans	-75.6	157.9	170.2	-62.1	-33.4	0	0	0	109.1	K183 R184	N181-K183 PolarHBondContact O-N 3.05Å; N181-R184 HydrophobicContact CB-CG 4.04Å; N181-R184 PolarHBondContact O-N 2.93Å
182	H	73.4	Confident	92.1	Very high	148 Å²	148	95.8 Å²	95.8	69%	0.685	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	3.4	-172.3	-67.7	-99.4	0	0	0	117
183	K	78.3	Confident	91.9	Very high	195 Å²	195	98.8 Å²	98.8	85%	0.848	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	4.4	177.3	-58.6	-175.7	-180	-174.9	0	113.8	N181 Y185	N181-K183 PolarHBondContact O-N 3.05Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 2.86Å
184	R	85	Confident	91.6	Very high	100 Å²	100	104.6 Å²	104.6	38%	0.377	49%	0.485	S	S	.	.	S	Bend	trans	-92.4	35.2	-173.3	-65	-167.3	165.6	-178.9	-1.1	113.9	E153 I180 N181	E153-R184 HydrophobicContact CG-CB 4.04Å; E153-R184 PolarHBondContact N-O 3.37Å; E153-R184 VanDerWaalsContact N-O 3.07Å; E153-R184 WeakPolarHBondContact OE1-CA 3.22Å; E153-R184 WeakPolarHBondContact OE1-CB 3.28Å; E153-R184 VanDerWaalsContact OE1-CG 3.28Å; E153-R184 WeakPolarHBondContact OE1-CG 3.39Å; E153-R184 WeakPolarHBondContact OE2-CD 3.4Å; E153-R184 WeakPolarHBondContact OE2-CG 3.38Å; E153-R184 IonicContact OE2-NE 3.13Å; E153-R184 PolarHBondContact OE2-NE 3.37Å; I180-R184 HydrophobicContact CG2-CB 3.85Å; N181-R184 HydrophobicContact CB-CG 4.04Å; N181-R184 PolarHBondContact O-N 2.93Å
185	Y	95.2	Very high	91.3	Very high	66 Å²	66	107.8 Å²	107.8	26%	0.259	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.1	171.4	69.1	-91.1	0	0	0	109.3	V150 S151 L163 L167 I180 K183	V150-Y185 HydrophobicContact CB-CD2 4.11Å; V150-Y185 HydrophobicContact CG1-CD2 4.25Å; V150-Y185 HydrophobicContact CG2-CD2 4.38Å; S151-Y185 CarbonylContact O-C 3.56Å; S151-Y185 WeakPolarHBondContact O-CA 3.32Å; S151-Y185 VanDerWaalsContact O-CB 3.29Å; S151-Y185 WeakPolarHBondContact O-CB 3.4Å; L163-Y185 HydrophobicContact CD2-CD1 3.91Å; L163-Y185 HydrophobicContact CD2-CD2 3.68Å; L163-Y185 HydrophobicContact CD2-CE1 4.43Å; L163-Y185 HydrophobicContact CD2-CE2 4.24Å; L163-Y185 HydrophobicContact CD2-CG 3.5Å; L163-Y185 VanDerWaalsContact CD2-CG 3.5Å; L167-Y185 HydrophobicContact CD1-CD1 3.96Å; L167-Y185 HydrophobicContact CD1-CE1 3.6Å; I180-Y185 HydrophobicContact CG2-CD1 4.46Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 2.86Å
186	H	96.1	Very high	90.9	Very high	98 Å²	98	109.9 Å²	109.9	45%	0.454	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153	-177	56.1	80	0	0	0	110	V150 S151	V150-H186 CarbonylContact C-O 3.58Å; V150-H186 VanDerWaalsContact CA-O 3.3Å; V150-H186 WeakPolarHBondContact CA-O 3.29Å; S151-H186 PolarHBondContact N-O 2.97Å; S151-H186 PolarHBondContact O-N 3.03Å
187	P	96.9	Very high	90.4	Very high	52 Å²	52	113.8 Å²	113.8	34%	0.338	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	151.1	170.2	28.2	-33.9	0	0	0	110.4	L148 I149 Y189	L148-P187 HydrophobicContact CD1-CB 4.25Å; I149-P187 VanDerWaalsContact O-CA 3.32Å; I149-P187 WeakPolarHBondContact O-CA 3.28Å; P187-Y189 HydrophobicContact CB-CE2 4.19Å; P187-Y189 HydrophobicContact CG-CE2 4.22Å
188	I	96.9	Very high	90	Very high	47 Å²	47	106.8 Å²	106.8	24%	0.241	48%	0.483	C	S	.	.			trans	-124.8	143.2	169	58.3	170.4	0	0	0	108.6	I149 V157	I149-I188 HydrophobicContact CB-CG1 4.11Å; I149-I188 HydrophobicContact CG2-CD1 3.69Å; I149-I188 HydrophobicContact CG2-CG1 3.54Å; I149-I188 PolarHBondContact O-N 2.83Å; V157-I188 HydrophobicContact CG1-CD1 4.24Å; V157-I188 HydrophobicContact CG2-CD1 4.21Å
189	Y	95.5	Very high	89.6	Confident	186 Å²	186	105.1 Å²	105.1	73%	0.729	48%	0.477	S	S	*	.			trans	-117.8	120.7	-179.5	-56.3	-84.4	0	0	0	107.1	P187	P187-Y189 HydrophobicContact CB-CE2 4.19Å; P187-Y189 HydrophobicContact CG-CE2 4.22Å
190	I	88.7	Confident	89.1	Confident	136 Å²	136	101.3 Å²	101.3	70%	0.697	46%	0.462	S	S	*	.			trans	-126	0	-178.5	61.6	177.2	0	0	0	109.1	V130 Y139	V130-I190 HydrophobicContact CB-CD1 3.84Å; V130-I190 HydrophobicContact CG2-CD1 3.42Å; V130-I190 VanDerWaalsContact CG2-CD1 3.42Å; Y139-I190 HydrophobicContact CD2-CD1 3.66Å; Y139-I190 HydrophobicContact CD2-CG1 3.88Å; Y139-I190 HydrophobicContact CE2-CD1 3.73Å; Y139-I190 HydrophobicContact CE2-CG1 3.37Å; Y139-I190 PolarHBondContact OH-O 3.44Å

Retrieved 190 of 190 residues in 647 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).