A0A077Z331_TRITR Loading...

Inositol hexakisphosphate and diphosphoinositol-p entakisphosphate kinase

AlphaFold DB , UniProt , Accession A0A077Z331, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 aa.

						>A0A077Z331_TRITR|A0A077Z331
MHEMSRKTEGDEQPNYYLNIVAVEEPLGARQYRQNHPGFRRQAVKYLRPTPALMSTAVISRGSSAPDLRKTAQSGSEGERSSYQDITFMVPPLRSLETLHNQLSLNQIDRFFQRIVIQNRLGDDYSDSTSRNTKVTQSL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	50.8	Low	234 Å²	234	171.8 Å²	171.8	100%	1.153	87%	0.87	S	S	*	*				0	107.2	0	-69.9	-150.9	-69.8	0	0	108.2
2	H	48	Very low	51.5	Low	199 Å²	199	173.2 Å²	173.2	92%	0.921	87%	0.871	S	S	*	*			trans	-164.6	122.7	154.2	-100.4	84.5	0	0	0	106.6
3	E	45	Very low	51.7	Low	188 Å²	188	172.3 Å²	172.3	88%	0.879	86%	0.862	S	S	*	*			trans	-87.6	133.6	-174.4	-171.5	177.2	-175.3	0	0	109.2
4	M	53.5	Low	52	Low	183 Å²	183	165.4 Å²	165.4	90%	0.901	84%	0.835	S	S	*	*			trans	-140.5	98.1	168	-95	-171.2	-76.5	0	0	111.2
5	S	50.5	Low	52	Low	115 Å²	115	162.4 Å²	162.4	80%	0.804	82%	0.823	S	S	*	*			trans	22.3	113.2	144.8	-64.9	0	0	0	0	119.9
6	R	55.3	Low	51.9	Low	250 Å²	250	164.4 Å²	164.4	94%	0.943	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.2	123.6	161.2	-75.8	-178.8	-94.6	-174.6	-6	110.3
7	K	58.3	Low	51.6	Low	204 Å²	204	166.2 Å²	166.2	89%	0.887	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.8	120.9	162.9	-77.3	-178	175.7	-177.5	0	108.7
8	T	53.6	Low	51.5	Low	138 Å²	138	164.6 Å²	164.6	85%	0.847	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.2	116	171.2	46.3	0	0	0	0	109.1
9	E	51.5	Low	51.2	Low	178 Å²	178	164.3 Å²	164.3	83%	0.832	81%	0.812	S	S	*	*			trans	-100.8	94.2	169.7	-157.6	164.4	-148.3	0	0	107	D11	E9-D11 PolarHBondContact O-N 3.03Å
10	G	52.3	Low	51	Low	67 Å²	67	164.3 Å²	164.3	69%	0.691	81%	0.814	S	S	*	*			trans	-88.6	93.3	173.9	0	0	0	0	0	109.1	E12	G10-E12 VanDerWaalsContact C-N 3.26Å; G10-E12 PolarHBondContact O-N 3.15Å
11	D	50.2	Low	50.9	Low	134 Å²	134	162.4 Å²	162.4	72%	0.717	81%	0.811	S	S	*	*			trans	-76.7	81.6	165.8	-81.3	-27.9	0	0	0	109.1	E9 Q13	E9-D11 PolarHBondContact O-N 3.03Å; D11-Q13 VanDerWaalsContact C-N 3.32Å; D11-Q13 PolarHBondContact O-N 2.89Å
12	E	59.4	Low	51	Low	188 Å²	188	155.7 Å²	155.7	88%	0.879	79%	0.793	S	S	*	*			trans	-66	89.8	165.5	-77.4	-176.1	147.6	0	0	109.4	G10 P14	G10-E12 VanDerWaalsContact C-N 3.26Å; G10-E12 PolarHBondContact O-N 3.15Å; E12-P14 WeakPolarHBondContact O-CD 3.21Å
13	Q	54.4	Low	51	Low	162 Å²	162	152.2 Å²	152.2	76%	0.757	79%	0.785	S	S	*	*			trans	-66.5	121.8	164.3	-71	-69	-24.8	0	0	108.8	D11 N15	D11-Q13 VanDerWaalsContact C-N 3.32Å; D11-Q13 PolarHBondContact O-N 2.89Å; Q13-N15 PolarHBondContact O-N 3.06Å; Q13-N15 VanDerWaalsContact O-N 3.16Å
14	P	55.2	Low	51.1	Low	75 Å²	75	151.9 Å²	151.9	49%	0.487	78%	0.784	S	S	.	*			trans	-63.2	119.8	-178.9	21	-29.2	0	0	0	110.6	E12 Y16	E12-P14 WeakPolarHBondContact O-CD 3.21Å; P14-Y16 HydrophobicContact CB-CE2 4.01Å; P14-Y16 HydrophobicContact CG-CE2 3.61Å; P14-Y16 WeakPolarHBondContact CG-OH 3.34Å; P14-Y16 WeakPolarHBondContact O-CD2 3.37Å; P14-Y16 WeakPolarHBondContact O-CE2 3.24Å; P14-Y16 PolarHBondContact O-N 3.49Å; P14-Y16 VanDerWaalsContact O-N 3.12Å
15	N	51.9	Low	51	Low	121 Å²	121	151.2 Å²	151.2	65%	0.647	78%	0.779	S	S	*	*			trans	-80	92	179.2	-161.7	-18.2	0	0	0	109.7	Q13 Y17	Q13-N15 PolarHBondContact O-N 3.06Å; Q13-N15 VanDerWaalsContact O-N 3.16Å; N15-Y17 PolarHBondContact O-N 3.35Å; N15-Y17 VanDerWaalsContact O-N 3.11Å
16	Y	51.1	Low	50.7	Low	194 Å²	194	150.9 Å²	150.9	76%	0.761	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	1.1	-176	-68.2	-78.1	0	0	0	115.3	P14	P14-Y16 HydrophobicContact CB-CE2 4.01Å; P14-Y16 HydrophobicContact CG-CE2 3.61Å; P14-Y16 WeakPolarHBondContact CG-OH 3.34Å; P14-Y16 WeakPolarHBondContact O-CD2 3.37Å; P14-Y16 WeakPolarHBondContact O-CE2 3.24Å; P14-Y16 PolarHBondContact O-N 3.49Å; P14-Y16 VanDerWaalsContact O-N 3.12Å
17	Y	46.7	Very low	50.2	Low	196 Å²	196	147 Å²	147	77%	0.769	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	9.3	-167.6	-68.3	-80.8	0	0	0	115.6	N15	N15-Y17 PolarHBondContact O-N 3.35Å; N15-Y17 VanDerWaalsContact O-N 3.11Å
18	L	50	Low	49.6	Very low	136 Å²	136	140.6 Å²	140.6	71%	0.712	76%	0.763	S	S	*	*			trans	-94.9	6.1	-169.6	-147.4	70.5	0	0	0	116.5
19	N	46	Very low	49.1	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	76%	0.763	S	S	*	*			trans	-118.7	56.5	-177.8	-71	-9.9	0	0	0	112.7
20	I	45.8	Very low	49.1	Very low	164 Å²	164	141.8 Å²	141.8	84%	0.841	77%	0.766	S	S	*	*			trans	-126.9	79.6	159.8	-49.4	176.6	0	0	0	106.8
21	V	50	Low	48.9	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	77%	0.77	S	S	*	*			trans	-119.9	105.7	161	-177.8	0	0	0	0	105.6	V23	V21-V23 HydrophobicContact CG1-CG2 4.31Å; V21-V23 PolarHBondContact O-N 2.8Å
22	A	41.9	Very low	48.5	Very low	93 Å²	93	151.1 Å²	151.1	77%	0.769	78%	0.779	S	S	*	*			trans	-62.4	126.4	171	0	0	0	0	0	108.7
23	V	49.1	Very low	47.6	Very low	126 Å²	126	152.7 Å²	152.7	76%	0.764	78%	0.777	S	S	*	*			trans	-138.6	100.4	158.3	-173	0	0	0	0	106.5	V21	V21-V23 HydrophobicContact CG1-CG2 4.31Å; V21-V23 PolarHBondContact O-N 2.8Å
24	E	47.5	Very low	47.5	Very low	182 Å²	182	151.5 Å²	151.5	85%	0.85	77%	0.771	S	S	*	*			trans	-64.4	130.3	157.4	-64.6	-175.6	153	0	0	108.2
25	E	50.8	Low	47	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	79%	0.786	S	S	*	*			trans	-172.2	114.2	142.5	-92.8	-107	145.9	0	0	106.1
26	P	44.9	Very low	46.9	Very low	108 Å²	108	156.9 Å²	156.9	70%	0.701	79%	0.791	S	S	*	*			trans	-75.5	178.2	168.2	34.8	-30	0	0	0	108.3
27	L	44.8	Very low	46.7	Very low	167 Å²	167	154.2 Å²	154.2	87%	0.874	80%	0.797	S	S	*	*			trans	111.5	123.7	169.6	-56.3	163.9	0	0	0	114
28	G	44.6	Very low	47.1	Very low	71 Å²	71	148.4 Å²	148.4	73%	0.732	80%	0.796	S	S	*	*			trans	101.6	94	143.8	0	0	0	0	0	115.7	R30	G28-R30 PolarHBondContact O-N 3.45Å; G28-R30 VanDerWaalsContact O-N 3.15Å
29	A	44.1	Very low	47.3	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	80%	0.801	S	S	*	*			trans	-50.8	116.7	148.1	0	0	0	0	0	110.1
30	R	51.4	Low	47.6	Very low	239 Å²	239	154.6 Å²	154.6	90%	0.902	80%	0.804	S	S	*	*			trans	-126.6	93.8	154	-87.4	-171.4	169.1	-171.8	-2	109.1	G28	G28-R30 PolarHBondContact O-N 3.45Å; G28-R30 VanDerWaalsContact O-N 3.15Å
31	Q	47.6	Very low	48	Very low	166 Å²	166	157.8 Å²	157.8	78%	0.776	81%	0.805	S	S	*	*			trans	-57.4	142.9	153.6	-51.4	-161.5	-13.7	0	0	108
32	Y	42.6	Very low	48.4	Very low	231 Å²	231	160.2 Å²	160.2	91%	0.906	81%	0.808	S	S	*	*			trans	-165	137.6	131.5	-84.1	-61.2	0	0	0	110
33	R	39.2	Very low	49.1	Very low	221 Å²	221	160.4 Å²	160.4	83%	0.834	81%	0.81	S	S	*	*			trans	-85.3	163.8	-175.4	-163.7	-176.9	176.3	-178.1	-0.2	108.7
34	Q	53.4	Low	49.3	Very low	137 Å²	137	160.1 Å²	160.1	64%	0.64	81%	0.808	S	S	*	*			trans	106.2	104	152.9	-54	-177.1	-0.2	0	0	118.2
35	N	44.8	Very low	49.6	Very low	147 Å²	147	160.2 Å²	160.2	79%	0.786	81%	0.806	S	S	*	*				55	88.9	124	-53.9	-19.7	0	0	0	117.6
36	H	48.9	Very low	49.4	Very low	163 Å²	163	162.6 Å²	162.6	76%	0.755	81%	0.809	S	S	*	*			trans	-123.9	117	156	-74.2	45.5	0	0	0	108.3
37	P	47.2	Very low	50	Low	137 Å²	137	164.8 Å²	164.8	89%	0.89	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	129	175.4	30.4	-30.1	0	0	0	108.7
38	G	54.9	Low	50.3	Low	74 Å²	74	167.1 Å²	167.1	76%	0.763	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.9	-14.2	173.1	0	0	0	0	0	115.8
39	F	54	Low	50.8	Low	182 Å²	182	169.7 Å²	169.7	80%	0.798	82%	0.815	S	S	*	*			trans	-114.3	95.2	176.6	-79.8	-85.9	0	0	0	111.4	R41	F39-R41 PolarHBondContact O-N 3.06Å
40	R	52.5	Low	51.2	Low	243 Å²	243	170.3 Å²	170.3	92%	0.917	81%	0.809	S	S	*	*			trans	-70.3	82.6	167.1	-167.3	179.3	174.8	-168.3	-2.1	108.1	Q42	R40-Q42 PolarHBondContact O-N 3.38Å
41	R	53.9	Low	51	Low	231 Å²	231	163.8 Å²	163.8	87%	0.872	80%	0.797	S	S	*	*			trans	-63.6	107.1	172.3	-74.5	-175.8	152.1	-149.7	-6.4	108.4	F39 A43	F39-R41 PolarHBondContact O-N 3.06Å; R41-A43 PolarHBondContact O-N 3.13Å
42	Q	59.4	Low	51.3	Low	176 Å²	176	160.2 Å²	160.2	82%	0.822	80%	0.796	S	S	*	*			trans	-60.1	128.2	167.1	-65.8	-178.1	2.1	0	0	107.7	R40 V44	R40-Q42 PolarHBondContact O-N 3.38Å; Q42-V44 PolarHBondContact O-N 3.43Å
43	A	54.8	Low	51.9	Low	97 Å²	97	156.7 Å²	156.7	80%	0.802	79%	0.792	S	S	*	*			trans	-64.7	109.3	177.6	0	0	0	0	0	108.8	R41 K45	R41-A43 PolarHBondContact O-N 3.13Å; A43-K45 PolarHBondContact O-N 3.06Å; A43-K45 VanDerWaalsContact O-N 3.08Å
44	V	53.5	Low	52.1	Low	121 Å²	121	154.2 Å²	154.2	73%	0.733	79%	0.792	S	S	*	*			trans	-65.9	107.9	166.3	-179	0	0	0	0	105.8	Q42 Y46	Q42-V44 PolarHBondContact O-N 3.43Å; V44-Y46 PolarHBondContact O-N 2.9Å
45	K	54.8	Low	51.7	Low	183 Å²	183	153.4 Å²	153.4	80%	0.796	80%	0.801	S	S	*	*			trans	-56.5	113.6	167.4	-88.2	179.8	178.9	177.8	0	105.8	A43 L47	A43-K45 PolarHBondContact O-N 3.06Å; A43-K45 VanDerWaalsContact O-N 3.08Å; K45-L47 PolarHBondContact O-N 3.47Å
46	Y	46.8	Very low	51.9	Low	219 Å²	219	152.4 Å²	152.4	86%	0.859	80%	0.801	S	S	*	*			trans	-56.8	94.5	163.8	-62.4	-85	0	0	0	106.5	V44 R48	V44-Y46 PolarHBondContact O-N 2.9Å; Y46-R48 PolarHBondContact O-N 3.47Å
47	L	57.2	Low	52.1	Low	155 Å²	155	148.8 Å²	148.8	81%	0.812	80%	0.799	S	S	*	*			trans	-57.8	104	154.1	-100.7	81.7	0	0	0	102.7	K45 P49	K45-L47 PolarHBondContact O-N 3.47Å; L47-P49 VanDerWaalsContact O-N 3.14Å
48	R	50.7	Low	52.1	Low	216 Å²	216	147.6 Å²	147.6	82%	0.815	79%	0.789	S	S	*	*			trans	-47.5	129.1	169.5	-59.8	-169.5	-153.7	-165.8	7	104.9	Y46 T50	Y46-R48 PolarHBondContact O-N 3.47Å; R48-T50 VanDerWaalsContact C-N 3.29Å; R48-T50 PolarHBondContact O-N 2.75Å
49	P	55	Low	51.9	Low	124 Å²	124	150.9 Å²	150.9	81%	0.805	79%	0.788	S	S	*	*			trans	-52.6	108.3	171.7	20.8	-29.1	0	0	0	105.1	L47 P51	L47-P49 VanDerWaalsContact O-N 3.14Å; P49-P51 VanDerWaalsContact O-N 3.12Å
50	T	52.4	Low	51.5	Low	115 Å²	115	143.8 Å²	143.8	71%	0.706	76%	0.76	S	S	*	*			trans	-56.4	123.8	169.9	46.4	0	0	0	0	103.1	R48 A52	R48-T50 VanDerWaalsContact C-N 3.29Å; R48-T50 PolarHBondContact O-N 2.75Å; T50-A52 PolarHBondContact O-N 3.47Å
51	P	48.5	Very low	51	Low	102 Å²	102	144.4 Å²	144.4	66%	0.662	76%	0.763	S	S	*	*			trans	-48.1	123.4	-179.9	21.6	-32.6	0	0	0	106.1	P49 L53	P49-P51 VanDerWaalsContact O-N 3.12Å; P51-L53 VanDerWaalsContact C-N 3.35Å; P51-L53 PolarHBondContact O-N 3.36Å
52	A	53.3	Low	50.7	Low	90 Å²	90	135.7 Å²	135.7	74%	0.744	75%	0.745	S	S	*	*			trans	-51.5	106	-176	0	0	0	0	0	106.9	T50 M54	T50-A52 PolarHBondContact O-N 3.47Å; A52-M54 VanDerWaalsContact C-N 3.26Å; A52-M54 PolarHBondContact O-N 2.84Å
53	L	54.9	Low	50.3	Low	157 Å²	157	133.9 Å²	133.9	82%	0.822	75%	0.752	S	S	*	*			trans	-74.5	91.1	-178.2	-70	176.6	0	0	0	105.7	P51 S55	P51-L53 VanDerWaalsContact C-N 3.35Å; P51-L53 PolarHBondContact O-N 3.36Å; L53-S55 PolarHBondContact O-N 2.76Å; L53-S55 VanDerWaalsContact O-N 3.15Å
54	M	43.1	Very low	49.9	Very low	169 Å²	169	133.3 Å²	133.3	83%	0.833	74%	0.742	S	S	*	*			trans	-72	102.8	171.4	-77.8	172.9	63.8	0	0	108.1	A52 T56	A52-M54 VanDerWaalsContact C-N 3.26Å; A52-M54 PolarHBondContact O-N 2.84Å; M54-T56 PolarHBondContact O-N 2.99Å
55	S	44.5	Very low	50	Low	120 Å²	120	130.1 Å²	130.1	84%	0.839	73%	0.728	S	S	*	*			trans	-74.1	105.4	171.1	-66.5	0	0	0	0	109.6	L53 A57	L53-S55 PolarHBondContact O-N 2.76Å; L53-S55 VanDerWaalsContact O-N 3.15Å; S55-A57 PolarHBondContact O-N 3.08Å
56	T	48.8	Very low	49.9	Very low	127 Å²	127	125.2 Å²	125.2	78%	0.779	72%	0.715	S	S	*	*			trans	-84.4	105.3	166.6	55.2	0	0	0	0	108.8	M54	M54-T56 PolarHBondContact O-N 2.99Å
57	A	53.6	Low	50.5	Low	86 Å²	86	117.2 Å²	117.2	71%	0.711	69%	0.687	S	S	*	*			trans	-93.3	126.6	167.1	0	0	0	0	0	109.2	S55	S55-A57 PolarHBondContact O-N 3.08Å
58	V	48.5	Very low	50.4	Low	112 Å²	112	114.1 Å²	114.1	68%	0.679	67%	0.671	S	S	*	*			trans	-88.4	113.8	170.8	179.3	0	0	0	0	107.9
59	I	49.1	Very low	50.8	Low	144 Å²	144	107.7 Å²	107.7	74%	0.738	65%	0.647	S	S	*	*			trans	-98.3	95.6	178.9	-55.1	172.5	0	0	0	108.3
60	S	45.3	Very low	51	Low	32 Å²	32	108.4 Å²	108.4	22%	0.224	64%	0.637	C	S	.	*			trans	-98	124.1	166.1	62.6	0	0	0	0	109.8	G62 A65	S60-G62 VanDerWaalsContact C-N 3.33Å; S60-G62 PolarHBondContact O-N 2.92Å; S60-A65 PolarHBondContact OG-N 3.5Å
61	R	43.6	Very low	51.1	Low	256 Å²	256	106.7 Å²	106.7	97%	0.966	63%	0.627	S	S	*	*	S	Bend	trans	-70.2	90.3	167.4	-69.9	178.9	67.2	-172.9	0.5	108.3
62	G	46.1	Very low	51.4	Low	48 Å²	48	102.9 Å²	102.9	50%	0.495	60%	0.604	S	S	.	*	S	Bend	trans	143.6	160.2	177.8	0	0	0	0	0	112.8	S60 S64	S60-G62 VanDerWaalsContact C-N 3.33Å; S60-G62 PolarHBondContact O-N 2.92Å; G62-S64 PolarHBondContact O-N 3.41Å
63	S	50.9	Low	51.4	Low	139 Å²	139	105.7 Å²	105.7	97%	0.972	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	22	-179.2	67.6	0	0	0	0	115
64	S	48.3	Very low	51.4	Low	84 Å²	84	103.1 Å²	103.1	59%	0.587	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	10	-163.8	51.4	0	0	0	0	113.9	G62 P66	G62-S64 PolarHBondContact O-N 3.41Å; S64-P66 VanDerWaalsContact O-CD 3.29Å; S64-P66 WeakPolarHBondContact O-CD 3.35Å; S64-P66 VanDerWaalsContact O-N 3.1Å
65	A	54.5	Low	51.8	Low	54 Å²	54	97.5 Å²	97.5	45%	0.446	58%	0.582	S	S	.	*			trans	-58.8	117.5	173.5	0	0	0	0	0	109	S60 D67	S60-A65 PolarHBondContact OG-N 3.5Å; A65-D67 PolarHBondContact O-N 3.24Å
66	P	53.7	Low	52.1	Low	80 Å²	80	96.7 Å²	96.7	52%	0.519	58%	0.576	S	S	.	*			trans	-66	126.5	-178.7	25.7	-31.9	0	0	0	108.7	S64 L68 T71	S64-P66 VanDerWaalsContact O-CD 3.29Å; S64-P66 WeakPolarHBondContact O-CD 3.35Å; S64-P66 VanDerWaalsContact O-N 3.1Å; P66-L68 PolarHBondContact O-N 3.21Å; P66-L68 VanDerWaalsContact O-N 3.07Å; P66-T71 HydrophobicContact CB-CG2 4.19Å
67	D	58	Low	52.3	Low	51 Å²	51	99.4 Å²	99.4	27%	0.273	58%	0.58	S	S	.	*			trans	-66.6	110.2	172.2	-177.4	-3.7	0	0	0	108.5	A65 R69 K70 T71 L93	A65-D67 PolarHBondContact O-N 3.24Å; D67-R69 PolarHBondContact O-N 3.09Å; D67-R69 VanDerWaalsContact OD1-CB 3.28Å; D67-R69 WeakPolarHBondContact OD1-CB 3.38Å; D67-R69 PolarHBondContact OD1-N 2.89Å; D67-K70 HydrophobicContact CB-CB 4.18Å; D67-K70 HydrophobicContact CB-CD 3.84Å; D67-K70 HydrophobicContact CB-CG 3.81Å; D67-K70 WeakPolarHBondContact O-CA 3.21Å; D67-K70 WeakPolarHBondContact O-CB 3.21Å; D67-K70 PolarHBondContact O-N 3.38Å; D67-K70 WeakPolarHBondContact OD2-CE 3.12Å; D67-T71 PolarHBondContact O-N 3.47Å; D67-T71 VanDerWaalsContact O-N 3.08Å; D67-L93 HydrophobicContact CB-CD1 4.31Å
68	L	55	Low	52.3	Low	90 Å²	90	98.6 Å²	98.6	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-58.4	-21.9	-178.9	-78.8	106.2	0	0	0	112.5	P66 T71 A72 V90 L93	P66-L68 PolarHBondContact O-N 3.21Å; P66-L68 VanDerWaalsContact O-N 3.07Å; L68-T71 VanDerWaalsContact CA-OG1 3.28Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-OG1 3.15Å; L68-A72 PolarHBondContact O-N 3.12Å; L68-V90 HydrophobicContact CB-CG1 4.08Å; L68-L93 HydrophobicContact CD1-CD1 4.14Å; L68-L93 HydrophobicContact CD1-CD2 4.36Å
69	R	60	Low	52.5	Low	82 Å²	82	100.1 Å²	100.1	31%	0.309	58%	0.58	S	S	.	*	H	α-helix	trans	-72.5	-31	173.4	-61.8	175.3	164.2	177.8	-9.7	112.4	D67 Q73 V90 P92	D67-R69 PolarHBondContact O-N 3.09Å; D67-R69 VanDerWaalsContact OD1-CB 3.28Å; D67-R69 WeakPolarHBondContact OD1-CB 3.38Å; D67-R69 PolarHBondContact OD1-N 2.89Å; R69-Q73 WeakPolarHBondContact O-CG 3.32Å; R69-V90 HydrophobicContact CG-CB 4.47Å; R69-V90 HydrophobicContact CG-CG1 4.23Å; R69-V90 PolarHBondContact NE-O 3.13Å; R69-V90 PolarHBondContact NH2-O 3.26Å; R69-P92 VanDerWaalsContact NH2-CD 3.35Å; R69-P92 VanDerWaalsContact NH2-N 3.16Å
70	K	58.8	Low	52.6	Low	138 Å²	138	103.9 Å²	103.9	60%	0.6	59%	0.585	S	S	*	*	H	α-helix	trans	-80.1	-35.4	176.2	-61.9	-178	-171.3	-178.9	0	111.4	D67 A72 Q73 S74	D67-K70 HydrophobicContact CB-CB 4.18Å; D67-K70 HydrophobicContact CB-CD 3.84Å; D67-K70 HydrophobicContact CB-CG 3.81Å; D67-K70 WeakPolarHBondContact O-CA 3.21Å; D67-K70 WeakPolarHBondContact O-CB 3.21Å; D67-K70 PolarHBondContact O-N 3.38Å; D67-K70 WeakPolarHBondContact OD2-CE 3.12Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.16Å; K70-Q73 PolarHBondContact O-N 2.96Å; K70-Q73 VanDerWaalsContact O-N 3.1Å; K70-S74 WeakPolarHBondContact O-CB 3.3Å; K70-S74 PolarHBondContact O-N 3.04Å
71	T	53.8	Low	52.9	Low	80 Å²	80	107.8 Å²	107.8	49%	0.491	61%	0.612	S	S	.	*	H	α-helix	trans	-67.4	-32.5	175.2	56	0	0	0	0	112.1	P66 D67 L68 Q73 S74	P66-T71 HydrophobicContact CB-CG2 4.19Å; D67-T71 PolarHBondContact O-N 3.47Å; D67-T71 VanDerWaalsContact O-N 3.08Å; L68-T71 VanDerWaalsContact CA-OG1 3.28Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-OG1 3.15Å; T71-Q73 PolarHBondContact O-N 3.11Å; T71-S74 PolarHBondContact O-N 2.9Å
72	A	54.6	Low	53.2	Low	22 Å²	22	98.3 Å²	98.3	18%	0.182	59%	0.585	C	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-19	172	0	0	0	0	0	113.6	L68 K70	L68-A72 PolarHBondContact O-N 3.12Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.16Å
73	Q	54.6	Low	53.6	Low	148 Å²	148	100.8 Å²	100.8	69%	0.692	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-18.5	179	-67.9	176	-2.2	0	0	113.2	R69 K70 T71	R69-Q73 WeakPolarHBondContact O-CG 3.32Å; K70-Q73 PolarHBondContact O-N 2.96Å; K70-Q73 VanDerWaalsContact O-N 3.1Å; T71-Q73 PolarHBondContact O-N 3.11Å
74	S	55.2	Low	53.8	Low	104 Å²	104	101 Å²	101	73%	0.727	57%	0.566	S	S	*	*	S	Bend	trans	-91.2	0.4	-176.2	179.3	0	0	0	0	113.9	K70 T71 S76	K70-S74 WeakPolarHBondContact O-CB 3.3Å; K70-S74 PolarHBondContact O-N 3.04Å; T71-S74 PolarHBondContact O-N 2.9Å; S74-S76 PolarHBondContact O-N 3.48Å
75	G	51.6	Low	54.1	Low	50 Å²	50	102 Å²	102	52%	0.515	56%	0.564	S	S	.	*	S	Bend	trans	-71.2	124.5	175.1	0	0	0	0	0	111
76	S	50.4	Low	54.2	Low	104 Å²	104	103.6 Å²	103.6	73%	0.727	57%	0.565	S	S	*	*			trans	-30.7	139.4	175.9	47.1	0	0	0	0	115.3	S74 G78	S74-S76 PolarHBondContact O-N 3.48Å; S76-G78 PolarHBondContact O-N 3Å
77	E	52.1	Low	54.2	Low	184 Å²	184	101.8 Å²	101.8	86%	0.86	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	6.8	-175.8	-62.7	-173	133.5	0	0	117.6
78	G	54.2	Low	54.3	Low	69 Å²	69	107.8 Å²	107.8	71%	0.711	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-15.4	-172.8	0	0	0	0	0	116.9	S76	S76-G78 PolarHBondContact O-N 3Å
79	E	52	Low	54.5	Low	143 Å²	143	110.8 Å²	110.8	67%	0.668	59%	0.59	S	S	*	*			trans	-134	63.1	-172.6	-66	-174.9	162.6	0	0	111.7	S81 Y83	E79-S81 PolarHBondContact O-N 3.3Å; E79-Y83 VanDerWaalsContact O-CE2 3.32Å; E79-Y83 WeakPolarHBondContact O-CE2 3.5Å
80	R	51.9	Low	54.5	Low	224 Å²	224	108.2 Å²	108.2	85%	0.845	58%	0.583	S	S	*	*			trans	-73.1	20.6	-179.4	-79.2	-178.6	161.7	-167.1	-1.5	115.2	S82	R80-S82 VanDerWaalsContact C-N 3.27Å; R80-S82 PolarHBondContact O-N 3.21Å
81	S	52.6	Low	54.5	Low	113 Å²	113	106.3 Å²	106.3	79%	0.79	58%	0.584	S	S	*	*	S	Bend	trans	-78.1	82.1	179	-129.1	0	0	0	0	110.7	E79 Y83	E79-S81 PolarHBondContact O-N 3.3Å; S81-Y83 PolarHBondContact O-N 2.75Å
82	S	49.9	Very low	54.9	Low	57 Å²	57	106.6 Å²	106.6	40%	0.399	59%	0.588	S	S	.	*			trans	42.4	54.3	165.6	71.8	0	0	0	0	118.3	R80 Q84 D85	R80-S82 VanDerWaalsContact C-N 3.27Å; R80-S82 PolarHBondContact O-N 3.21Å; S82-Q84 PolarHBondContact O-N 3.48Å; S82-D85 PolarHBondContact O-N 3.39Å; S82-D85 PolarHBondContact OG-OD2 2.87Å; S82-D85 VanDerWaalsContact OG-OD2 3.08Å
83	Y	53.2	Low	55	Low	101 Å²	101	110.1 Å²	110.1	40%	0.396	60%	0.603	S	S	.	*	H	α-helix	trans	-50.9	-11.5	152.9	-71	-82.3	0	0	0	113.5	E79 S81 D85 I86 T87	E79-Y83 VanDerWaalsContact O-CE2 3.32Å; E79-Y83 WeakPolarHBondContact O-CE2 3.5Å; S81-Y83 PolarHBondContact O-N 2.75Å; Y83-D85 PolarHBondContact O-N 2.97Å; Y83-I86 HydrophobicContact CD1-CD1 3.99Å; Y83-I86 HydrophobicContact CE1-CD1 4.37Å; Y83-I86 PolarHBondContact O-N 2.98Å; Y83-T87 PolarHBondContact O-N 3.19Å; Y83-T87 VanDerWaalsContact O-N 3.09Å; Y83-T87 PolarHBondContact O-OG1 2.86Å
84	Q	55.4	Low	55.2	Low	144 Å²	144	112.1 Å²	112.1	67%	0.673	60%	0.604	S	S	*	*	H	α-helix	trans	-52.7	-38.4	166.1	-61.1	-164.2	18.7	0	0	112.5	S82 I86 T87 F88	S82-Q84 PolarHBondContact O-N 3.48Å; Q84-I86 PolarHBondContact O-N 2.74Å; Q84-T87 PolarHBondContact O-N 3.07Å; Q84-F88 WeakPolarHBondContact O-CD2 3.12Å; Q84-F88 WeakPolarHBondContact O-CE2 3.39Å
85	D	55	Low	55.1	Low	104 Å²	104	110.3 Å²	110.3	56%	0.556	59%	0.592	S	S	*	*	H	α-helix	trans	-67.4	-39.2	179.7	-68.6	-39.5	0	0	0	112.1	S82 Y83 T87 M89	S82-D85 PolarHBondContact O-N 3.39Å; S82-D85 PolarHBondContact OG-OD2 2.87Å; S82-D85 VanDerWaalsContact OG-OD2 3.08Å; Y83-D85 PolarHBondContact O-N 2.97Å; D85-T87 VanDerWaalsContact C-N 3.34Å; D85-M89 WeakPolarHBondContact O-CG 3.44Å
86	I	56.2	Low	54.9	Low	88 Å²	88	112.6 Å²	112.6	45%	0.451	59%	0.591	S	S	.	*	H	α-helix	trans	-73.4	-32.1	-178.8	-54.2	173.6	0	0	0	110.5	Y83 Q84 F88 M89 V90	Y83-I86 HydrophobicContact CD1-CD1 3.99Å; Y83-I86 HydrophobicContact CE1-CD1 4.37Å; Y83-I86 PolarHBondContact O-N 2.98Å; Q84-I86 PolarHBondContact O-N 2.74Å; I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 PolarHBondContact O-N 3.24Å; I86-M89 WeakPolarHBondContact O-CA 3.47Å; I86-M89 WeakPolarHBondContact O-CB 3.42Å; I86-M89 PolarHBondContact O-N 3.46Å; I86-V90 HydrophobicContact CG2-CG2 4.41Å; I86-V90 WeakPolarHBondContact O-CG2 3.36Å; I86-V90 PolarHBondContact O-N 3.15Å
87	T	53.7	Low	55	Low	42 Å²	42	113.3 Å²	113.3	26%	0.258	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-33	-178.2	-41.7	0	0	0	0	111.8	Y83 Q84 D85 M89	Y83-T87 PolarHBondContact O-N 3.19Å; Y83-T87 VanDerWaalsContact O-N 3.09Å; Y83-T87 PolarHBondContact O-OG1 2.86Å; Q84-T87 PolarHBondContact O-N 3.07Å; D85-T87 VanDerWaalsContact C-N 3.34Å; T87-M89 VanDerWaalsContact C-N 3.31Å
88	F	59.6	Low	54.6	Low	177 Å²	177	107.4 Å²	107.4	78%	0.776	56%	0.56	S	S	*	*	H	α-helix	trans	-74.8	-19.4	172.1	-63.6	-67.8	0	0	0	113.4	Q84 I86	Q84-F88 WeakPolarHBondContact O-CD2 3.12Å; Q84-F88 WeakPolarHBondContact O-CE2 3.39Å; I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 PolarHBondContact O-N 3.24Å
89	M	60.7	Low	54.3	Low	153 Å²	153	108 Å²	108	75%	0.754	55%	0.546	S	S	*	.	H	α-helix	trans	-86.6	-14.8	-179.2	-58	-125.3	73.4	0	0	113.5	D85 I86 T87 P91	D85-M89 WeakPolarHBondContact O-CG 3.44Å; I86-M89 WeakPolarHBondContact O-CA 3.47Å; I86-M89 WeakPolarHBondContact O-CB 3.42Å; I86-M89 PolarHBondContact O-N 3.46Å; T87-M89 VanDerWaalsContact C-N 3.31Å; M89-P91 VanDerWaalsContact O-CD 3.31Å; M89-P91 WeakPolarHBondContact O-CD 3.41Å
90	V	58	Low	54	Low	27 Å²	27	107.2 Å²	107.2	16%	0.164	54%	0.542	C	S	.	.	S	Bend	trans	-95.4	109	-178.2	-179.4	0	0	0	0	109.8	L68 R69 I86	L68-V90 HydrophobicContact CB-CG1 4.08Å; R69-V90 HydrophobicContact CG-CB 4.47Å; R69-V90 HydrophobicContact CG-CG1 4.23Å; R69-V90 PolarHBondContact NE-O 3.13Å; R69-V90 PolarHBondContact NH2-O 3.26Å; I86-V90 HydrophobicContact CG2-CG2 4.41Å; I86-V90 WeakPolarHBondContact O-CG2 3.36Å; I86-V90 PolarHBondContact O-N 3.15Å
91	P	60.3	Low	54.1	Low	98 Å²	98	103.2 Å²	103.2	64%	0.636	54%	0.538	S	S	*	.			trans	-56	150.1	173.1	-21.8	33.5	0	0	0	110.5	M89 L93	M89-P91 VanDerWaalsContact O-CD 3.31Å; M89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-L93 PolarHBondContact O-N 3.27Å
92	P	61.9	Low	54.3	Low	86 Å²	86	103.8 Å²	103.8	56%	0.558	53%	0.528	S	S	*	.			trans	-53.2	121.5	173.4	-19.5	29	0	0	0	109.6	R69 R94	R69-P92 VanDerWaalsContact NH2-CD 3.35Å; R69-P92 VanDerWaalsContact NH2-N 3.16Å; P92-R94 PolarHBondContact O-N 2.81Å
93	L	57.2	Low	54.8	Low	96 Å²	96	105.8 Å²	105.8	50%	0.503	53%	0.534	S	S	.	.			trans	-63	109.2	170.7	-69.5	166.8	0	0	0	106.4	D67 L68 P91	D67-L93 HydrophobicContact CB-CD1 4.31Å; L68-L93 HydrophobicContact CD1-CD1 4.14Å; L68-L93 HydrophobicContact CD1-CD2 4.36Å; P91-L93 PolarHBondContact O-N 3.27Å
94	R	57.3	Low	55.4	Low	190 Å²	190	103.5 Å²	103.5	72%	0.717	53%	0.532	S	S	*	.			trans	-75.9	138.3	169.4	-56.6	-168.8	-178.3	113.3	1.3	107.7	P92 L96 T98	P92-R94 PolarHBondContact O-N 2.81Å; R94-L96 PolarHBondContact O-N 3.29Å; R94-T98 WeakPolarHBondContact CB-OG1 3.23Å
95	S	53.6	Low	56.1	Low	67 Å²	67	103.1 Å²	103.1	47%	0.469	53%	0.534	S	S	.	.			trans	-46.4	133.7	166.5	-55	0	0	0	0	109.5	E97 T98	S95-E97 WeakPolarHBondContact CB-OE1 3.23Å; S95-E97 PolarHBondContact O-N 3.46Å; S95-E97 PolarHBondContact OG-OE1 3.11Å; S95-E97 VanDerWaalsContact OG-OE1 3.09Å; S95-T98 PolarHBondContact O-N 3.06Å; S95-T98 PolarHBondContact O-OG1 3.28Å
96	L	48.4	Very low	57.1	Low	97 Å²	97	103.3 Å²	103.3	51%	0.508	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-55	-16.4	175.7	-86.5	160.1	0	0	0	113.2	R94 L99	R94-L96 PolarHBondContact O-N 3.29Å; L96-L99 HydrophobicContact CD2-CD1 3.61Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.01Å
97	E	52.7	Low	57.9	Low	120 Å²	120	103.1 Å²	103.1	56%	0.561	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-55.7	-54.3	166.5	78.5	-153.7	157	0	0	109.5	S95 L99 H100	S95-E97 WeakPolarHBondContact CB-OE1 3.23Å; S95-E97 PolarHBondContact O-N 3.46Å; S95-E97 PolarHBondContact OG-OE1 3.11Å; S95-E97 VanDerWaalsContact OG-OE1 3.09Å; E97-L99 PolarHBondContact O-N 3.13Å; E97-H100 WeakPolarHBondContact O-CB 3.48Å; E97-H100 PolarHBondContact O-CD2 3.49Å; E97-H100 PolarHBondContact O-CE1 2.95Å; E97-H100 PolarHBondContact O-N 3.33Å; E97-H100 PolarHBondContact O-ND1 3.28Å; E97-H100 PolarHBondContact O-NE2 3.34Å
98	T	43.7	Very low	58.9	Low	59 Å²	59	104 Å²	104	36%	0.362	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-61.3	-10.5	-178.7	62.6	0	0	0	0	116.5	R94 S95 H100	R94-T98 WeakPolarHBondContact CB-OG1 3.23Å; S95-T98 PolarHBondContact O-N 3.06Å; S95-T98 PolarHBondContact O-OG1 3.28Å; T98-H100 VanDerWaalsContact C-N 3.32Å
99	L	47.4	Very low	59.9	Low	81 Å²	81	99.6 Å²	99.6	42%	0.424	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-76.5	-14.9	171.5	-103.9	157.4	0	0	0	113.3	L96 E97 N101 Q102	L96-L99 HydrophobicContact CD2-CD1 3.61Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.01Å; E97-L99 PolarHBondContact O-N 3.13Å; L99-N101 PolarHBondContact O-N 2.79Å; L99-N101 VanDerWaalsContact O-N 3.13Å; L99-Q102 PolarHBondContact O-N 2.99Å
100	H	45.9	Very low	60.7	Low	127 Å²	127	98.4 Å²	98.4	59%	0.588	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-65.1	-12.1	176.3	50.8	-136.6	0	0	0	114.1	E97 T98	E97-H100 WeakPolarHBondContact O-CB 3.48Å; E97-H100 PolarHBondContact O-CD2 3.49Å; E97-H100 PolarHBondContact O-CE1 2.95Å; E97-H100 PolarHBondContact O-N 3.33Å; E97-H100 PolarHBondContact O-ND1 3.28Å; E97-H100 PolarHBondContact O-NE2 3.34Å; T98-H100 VanDerWaalsContact C-N 3.32Å
101	N	53.9	Low	61.7	Low	140 Å²	140	102.8 Å²	102.8	75%	0.749	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-95.5	-8.7	179.3	-75.8	-17.6	0	0	0	114.6	L99	L99-N101 PolarHBondContact O-N 2.79Å; L99-N101 VanDerWaalsContact O-N 3.13Å
102	Q	56.7	Low	62.8	Low	125 Å²	125	103.6 Å²	103.6	58%	0.584	52%	0.517	S	S	*	.	S	Bend	trans	-103.6	-4.1	-170	-67.2	-167.1	-48.8	0	0	114.5	L99	L99-Q102 PolarHBondContact O-N 2.99Å
103	L	60.3	Low	63.6	Low	100 Å²	100	105 Å²	105	52%	0.524	52%	0.516	S	S	.	.			trans	-133.3	113.9	175.9	-64.2	173	0	0	0	109.7	Q107 I108	L103-Q107 VanDerWaalsContact CA-OE1 3.31Å; L103-Q107 HydrophobicContact CD2-CB 4.32Å; L103-I108 HydrophobicContact CB-CD1 4.3Å; L103-I108 HydrophobicContact CB-CG1 4.14Å
104	S	65.4	Low	64.4	Low	52 Å²	52	107.7 Å²	107.7	36%	0.364	52%	0.52	S	S	.	.			trans	-62.2	147.5	165.3	55.8	0	0	0	0	109.7	N106 Q107 I108	S104-N106 PolarHBondContact O-N 2.83Å; S104-N106 VanDerWaalsContact O-N 3.11Å; S104-Q107 WeakPolarHBondContact O-CA 3.4Å; S104-Q107 WeakPolarHBondContact O-CB 3.48Å; S104-Q107 PolarHBondContact O-N 2.94Å; S104-Q107 VanDerWaalsContact OG-CD 3.32Å; S104-Q107 VanDerWaalsContact OG-CG 3.25Å; S104-Q107 WeakPolarHBondContact OG-CG 3.25Å; S104-Q107 PolarHBondContact OG-N 2.85Å; S104-Q107 PolarHBondContact OG-OE1 2.96Å; S104-I108 PolarHBondContact O-N 3.01Å
105	L	69.5	Low	65.3	Low	137 Å²	137	101.5 Å²	101.5	72%	0.717	50%	0.5	S	S	*	.	H	α-helix	trans	-50.5	-37.8	171.6	-67.4	175	0	0	0	111.2	Q107 I108 D109	L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.78Å; L105-I108 WeakPolarHBondContact O-CB 3.49Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-I108 VanDerWaalsContact O-N 3.13Å; L105-D109 PolarHBondContact O-N 3.33Å
106	N	75.9	Confident	66.6	Low	107 Å²	107	101.6 Å²	101.6	57%	0.572	50%	0.498	S	S	*	.	H	α-helix	trans	-60.1	-29.8	173.7	-66.7	-34.4	0	0	0	114.8	S104 R110	S104-N106 PolarHBondContact O-N 2.83Å; S104-N106 VanDerWaalsContact O-N 3.11Å; N106-R110 WeakPolarHBondContact O-CB 3.14Å; N106-R110 VanDerWaalsContact O-CG 3.23Å; N106-R110 WeakPolarHBondContact O-CG 3.31Å; N106-R110 PolarHBondContact O-N 3.08Å; N106-R110 PolarHBondContact O-NE 2.7Å; N106-R110 VanDerWaalsContact O-NE 3.07Å
107	Q	72.9	Confident	67.9	Low	84 Å²	84	101.3 Å²	101.3	39%	0.393	50%	0.496	S	S	.	.	H	α-helix	trans	-76.8	-38.5	175.3	-78.5	162.7	-39.9	0	0	111.1	L103 S104 L105 F111	L103-Q107 VanDerWaalsContact CA-OE1 3.31Å; L103-Q107 HydrophobicContact CD2-CB 4.32Å; S104-Q107 WeakPolarHBondContact O-CA 3.4Å; S104-Q107 WeakPolarHBondContact O-CB 3.48Å; S104-Q107 PolarHBondContact O-N 2.94Å; S104-Q107 VanDerWaalsContact OG-CD 3.32Å; S104-Q107 VanDerWaalsContact OG-CG 3.25Å; S104-Q107 WeakPolarHBondContact OG-CG 3.25Å; S104-Q107 PolarHBondContact OG-N 2.85Å; S104-Q107 PolarHBondContact OG-OE1 2.96Å; L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.78Å; Q107-F111 WeakPolarHBondContact O-CB 3.41Å; Q107-F111 PolarHBondContact O-N 3.07Å
108	I	76.7	Confident	68.8	Low	61 Å²	61	101.9 Å²	101.9	31%	0.313	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.2	-61.7	172.5	0	0	0	109.8	L103 S104 L105 R110 F111 F112	L103-I108 HydrophobicContact CB-CD1 4.3Å; L103-I108 HydrophobicContact CB-CG1 4.14Å; S104-I108 PolarHBondContact O-N 3.01Å; L105-I108 WeakPolarHBondContact O-CB 3.49Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-I108 VanDerWaalsContact O-N 3.13Å; I108-R110 PolarHBondContact O-N 3.47Å; I108-F111 WeakPolarHBondContact O-CB 3.48Å; I108-F111 PolarHBondContact O-N 3.42Å; I108-F112 HydrophobicContact CG2-CD2 3.7Å; I108-F112 HydrophobicContact CG2-CE2 3.35Å; I108-F112 HydrophobicContact CG2-CZ 4.42Å; I108-F112 VanDerWaalsContact O-CD2 3.23Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 2.83Å
109	D	79.1	Confident	70.1	Confident	84 Å²	84	104.5 Å²	104.5	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-45.3	177.3	-71.6	-25.4	0	0	0	112.2	L105 F111 F112 Q113	L105-D109 PolarHBondContact O-N 3.33Å; D109-F111 VanDerWaalsContact C-N 3.29Å; D109-F111 PolarHBondContact O-N 2.98Å; D109-F112 PolarHBondContact O-N 3.05Å; D109-Q113 WeakPolarHBondContact O-CB 3.47Å; D109-Q113 VanDerWaalsContact O-CG 3.3Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.28Å
110	R	77.6	Confident	70.9	Confident	128 Å²	128	109.4 Å²	109.4	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-36.2	176.2	-79.1	-175.8	-71.4	-174.2	-1.9	112.5	N106 I108 R114	N106-R110 WeakPolarHBondContact O-CB 3.14Å; N106-R110 VanDerWaalsContact O-CG 3.23Å; N106-R110 WeakPolarHBondContact O-CG 3.31Å; N106-R110 PolarHBondContact O-N 3.08Å; N106-R110 PolarHBondContact O-NE 2.7Å; N106-R110 VanDerWaalsContact O-NE 3.07Å; I108-R110 PolarHBondContact O-N 3.47Å; R110-R114 WeakPolarHBondContact O-CG 3.32Å; R110-R114 PolarHBondContact O-N 3.08Å; R110-R114 VanDerWaalsContact O-N 3.15Å
111	F	78.4	Confident	71.5	Confident	119 Å²	119	108.3 Å²	108.3	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-49.2	175.2	171.9	-102.2	0	0	0	111.1	Q107 I108 D109 Q113 R114 I115	Q107-F111 WeakPolarHBondContact O-CB 3.41Å; Q107-F111 PolarHBondContact O-N 3.07Å; I108-F111 WeakPolarHBondContact O-CB 3.48Å; I108-F111 PolarHBondContact O-N 3.42Å; D109-F111 VanDerWaalsContact C-N 3.29Å; D109-F111 PolarHBondContact O-N 2.98Å; F111-Q113 PolarHBondContact O-N 3.32Å; F111-R114 PolarHBondContact O-N 2.92Å; F111-I115 HydrophobicContact CD1-CD1 3.94Å; F111-I115 HydrophobicContact CD2-CD1 4.48Å; F111-I115 HydrophobicContact CE1-CD1 3.31Å; F111-I115 HydrophobicContact CE1-CG1 4.5Å; F111-I115 HydrophobicContact CE2-CD1 3.93Å; F111-I115 HydrophobicContact CG-CD1 4.49Å; F111-I115 HydrophobicContact CZ-CD1 3.33Å; F111-I115 HydrophobicContact CZ-CG1 4.36Å; F111-I115 PolarHBondContact O-N 2.85Å; F111-I115 VanDerWaalsContact O-N 3.09Å
112	F	83.8	Confident	71.6	Confident	116 Å²	116	104.4 Å²	104.4	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-39.2	177.7	-73.2	-56.3	0	0	0	112.9	I108 D109 R114 I115 V116	I108-F112 HydrophobicContact CG2-CD2 3.7Å; I108-F112 HydrophobicContact CG2-CE2 3.35Å; I108-F112 HydrophobicContact CG2-CZ 4.42Å; I108-F112 VanDerWaalsContact O-CD2 3.23Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 2.83Å; D109-F112 PolarHBondContact O-N 3.05Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 PolarHBondContact O-N 2.86Å; F112-I115 PolarHBondContact O-N 3.36Å; F112-V116 VanDerWaalsContact O-CG2 3.32Å; F112-V116 WeakPolarHBondContact O-CG2 3.28Å; F112-V116 PolarHBondContact O-N 3.28Å
113	Q	78.3	Confident	71.6	Confident	115 Å²	115	104.4 Å²	104.4	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-57.3	-43.7	173.7	-75	172.9	18	0	0	111.5	D109 F111 V116 I117	D109-Q113 WeakPolarHBondContact O-CB 3.47Å; D109-Q113 VanDerWaalsContact O-CG 3.3Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.28Å; F111-Q113 PolarHBondContact O-N 3.32Å; Q113-V116 PolarHBondContact O-N 3.09Å; Q113-I117 HydrophobicContact CB-CD1 4.49Å; Q113-I117 VanDerWaalsContact O-CB 3.25Å; Q113-I117 WeakPolarHBondContact O-CB 3.41Å; Q113-I117 WeakPolarHBondContact O-CD1 3.05Å; Q113-I117 WeakPolarHBondContact O-CG1 3.28Å; Q113-I117 PolarHBondContact O-N 2.7Å
114	R	75.3	Confident	71.5	Confident	153 Å²	153	106.3 Å²	106.3	58%	0.577	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-42.6	177.1	-72.2	176	-170.4	157.8	0.1	112.4	R110 F111 F112 I117 Q118	R110-R114 WeakPolarHBondContact O-CG 3.32Å; R110-R114 PolarHBondContact O-N 3.08Å; R110-R114 VanDerWaalsContact O-N 3.15Å; F111-R114 PolarHBondContact O-N 2.92Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 PolarHBondContact O-N 2.86Å; R114-I117 PolarHBondContact O-N 3.01Å; R114-Q118 WeakPolarHBondContact O-CB 2.95Å; R114-Q118 WeakPolarHBondContact O-CG 3.38Å; R114-Q118 PolarHBondContact O-N 2.95Å
115	I	76.6	Confident	70.8	Confident	59 Å²	59	113.7 Å²	113.7	30%	0.303	55%	0.55	S	S	.	*	H	α-helix	trans	-61.5	-47	176.5	-70	173.8	0	0	0	110.6	F111 F112 I117 Q118 N119	F111-I115 HydrophobicContact CD1-CD1 3.94Å; F111-I115 HydrophobicContact CD2-CD1 4.48Å; F111-I115 HydrophobicContact CE1-CD1 3.31Å; F111-I115 HydrophobicContact CE1-CG1 4.5Å; F111-I115 HydrophobicContact CE2-CD1 3.93Å; F111-I115 HydrophobicContact CG-CD1 4.49Å; F111-I115 HydrophobicContact CZ-CD1 3.33Å; F111-I115 HydrophobicContact CZ-CG1 4.36Å; F111-I115 PolarHBondContact O-N 2.85Å; F111-I115 VanDerWaalsContact O-N 3.09Å; F112-I115 PolarHBondContact O-N 3.36Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 3.34Å; I115-Q118 PolarHBondContact O-N 3.39Å; I115-N119 VanDerWaalsContact O-CB 3.24Å; I115-N119 WeakPolarHBondContact O-CB 3.15Å; I115-N119 PolarHBondContact O-N 2.82Å; I115-N119 PolarHBondContact O-ND2 2.99Å
116	V	79.7	Confident	70.2	Confident	70 Å²	70	112.2 Å²	112.2	42%	0.424	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-40.5	179.4	174.8	0	0	0	0	110.9	F112 Q113 R120	F112-V116 VanDerWaalsContact O-CG2 3.32Å; F112-V116 WeakPolarHBondContact O-CG2 3.28Å; F112-V116 PolarHBondContact O-N 3.28Å; Q113-V116 PolarHBondContact O-N 3.09Å; V116-R120 WeakPolarHBondContact O-CB 3.43Å; V116-R120 WeakPolarHBondContact O-CG 3.41Å; V116-R120 PolarHBondContact O-N 2.78Å
117	I	76.9	Confident	69.1	Low	90 Å²	90	114.5 Å²	114.5	46%	0.462	56%	0.564	S	S	.	*	H	α-helix	trans	-69.9	-44.9	178	-70.1	165.3	0	0	0	111.2	Q113 R114 I115 N119 R120 L121	Q113-I117 HydrophobicContact CB-CD1 4.49Å; Q113-I117 VanDerWaalsContact O-CB 3.25Å; Q113-I117 WeakPolarHBondContact O-CB 3.41Å; Q113-I117 WeakPolarHBondContact O-CD1 3.05Å; Q113-I117 WeakPolarHBondContact O-CG1 3.28Å; Q113-I117 PolarHBondContact O-N 2.7Å; R114-I117 PolarHBondContact O-N 3.01Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 3.34Å; I117-N119 VanDerWaalsContact C-N 3.34Å; I117-N119 PolarHBondContact O-N 3.3Å; I117-R120 CarbonylContact O-C 3.6Å; I117-R120 PolarHBondContact O-N 2.85Å; I117-R120 VanDerWaalsContact O-N 3.13Å; I117-L121 HydrophobicContact CG2-CD1 3.43Å; I117-L121 VanDerWaalsContact CG2-CD1 3.43Å; I117-L121 HydrophobicContact CG2-CG 4.04Å; I117-L121 WeakPolarHBondContact O-CB 3.37Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 3.48Å
118	Q	71.4	Confident	68	Low	133 Å²	133	115.8 Å²	115.8	62%	0.621	58%	0.582	S	S	*	*	H	α-helix	trans	-63.2	-40.8	177.9	-76.3	178.2	-46.3	0	0	111.5	R114 I115 R120 G122	R114-Q118 WeakPolarHBondContact O-CB 2.95Å; R114-Q118 WeakPolarHBondContact O-CG 3.38Å; R114-Q118 PolarHBondContact O-N 2.95Å; I115-Q118 PolarHBondContact O-N 3.39Å; Q118-R120 VanDerWaalsContact C-N 3.27Å; Q118-R120 PolarHBondContact O-N 2.72Å; Q118-G122 PolarHBondContact O-N 3.03Å
119	N	70.2	Confident	66.8	Low	114 Å²	114	119.8 Å²	119.8	61%	0.61	61%	0.609	S	S	*	*	H	α-helix	trans	-71.9	-20.4	175.9	-69.5	-8.2	0	0	0	112.9	I115 I117	I115-N119 VanDerWaalsContact O-CB 3.24Å; I115-N119 WeakPolarHBondContact O-CB 3.15Å; I115-N119 PolarHBondContact O-N 2.82Å; I115-N119 PolarHBondContact O-ND2 2.99Å; I117-N119 VanDerWaalsContact C-N 3.34Å; I117-N119 PolarHBondContact O-N 3.3Å
120	R	64.4	Low	65.6	Low	183 Å²	183	120.5 Å²	120.5	69%	0.691	62%	0.621	S	S	*	*	H	α-helix	trans	-91.7	-29.3	174.8	-74.2	-176.3	-168.1	-146.3	6.2	113.6	V116 I117 Q118 G122	V116-R120 WeakPolarHBondContact O-CB 3.43Å; V116-R120 WeakPolarHBondContact O-CG 3.41Å; V116-R120 PolarHBondContact O-N 2.78Å; I117-R120 CarbonylContact O-C 3.6Å; I117-R120 PolarHBondContact O-N 2.85Å; I117-R120 VanDerWaalsContact O-N 3.13Å; Q118-R120 VanDerWaalsContact C-N 3.27Å; Q118-R120 PolarHBondContact O-N 2.72Å; R120-G122 VanDerWaalsContact C-N 3.26Å; R120-G122 PolarHBondContact O-N 3.1Å
121	L	58.2	Low	64.4	Low	105 Å²	105	125.6 Å²	125.6	55%	0.55	64%	0.64	S	S	.	*	H	α-helix	trans	-79.8	-8.5	177.2	-72.6	172.9	0	0	0	113.1	I117 D123	I117-L121 HydrophobicContact CG2-CD1 3.43Å; I117-L121 VanDerWaalsContact CG2-CD1 3.43Å; I117-L121 HydrophobicContact CG2-CG 4.04Å; I117-L121 WeakPolarHBondContact O-CB 3.37Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 3.48Å; L121-D123 VanDerWaalsContact C-N 3.35Å
122	G	55.9	Low	62.8	Low	58 Å²	58	128 Å²	128	60%	0.598	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-17	174.2	0	0	0	0	0	114.7	Q118 R120	Q118-G122 PolarHBondContact O-N 3.03Å; R120-G122 VanDerWaalsContact C-N 3.26Å; R120-G122 PolarHBondContact O-N 3.1Å
123	D	56.8	Low	61.4	Low	124 Å²	124	129.1 Å²	129.1	66%	0.663	68%	0.675	S	S	*	*	S	Bend	trans	-94.5	-18.1	-173.2	-67.8	-23.3	0	0	0	113.8	L121	L121-D123 VanDerWaalsContact C-N 3.35Å
124	D	58.1	Low	60.4	Low	140 Å²	140	133.3 Å²	133.3	75%	0.749	69%	0.692	S	S	*	*	S	Bend	trans	-102.8	1.8	-171.8	-83.2	-26.2	0	0	0	116.2
125	Y	52.2	Low	59.5	Low	208 Å²	208	132.3 Å²	132.3	82%	0.816	70%	0.702	S	S	*	*			trans	-104.1	22	-179.5	-88.7	-82.2	0	0	0	115.1
126	S	55.3	Low	58.6	Low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.728	S	S	*	*	S	Bend	trans	-100.1	29.3	-175.9	62.7	0	0	0	0	115
127	D	52.5	Low	57.4	Low	155 Å²	155	141.5 Å²	141.5	83%	0.829	75%	0.748	S	S	*	*	S	Bend	trans	-159.6	95.6	174.2	-157.5	13.1	0	0	0	113
128	S	50.9	Low	56.3	Low	111 Å²	111	142.3 Å²	142.3	78%	0.776	76%	0.762	S	S	*	*			trans	178.4	-4.4	156.7	39.9	0	0	0	0	117.6	S130	S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.09Å
129	T	52.2	Low	55.2	Low	145 Å²	145	147.8 Å²	147.8	89%	0.89	80%	0.795	S	S	*	*			trans	-85.6	41.7	-176.9	-47.8	0	0	0	0	114.3
130	S	52.3	Low	54.5	Low	99 Å²	99	149.5 Å²	149.5	69%	0.692	80%	0.804	S	S	*	*			trans	-146.5	93.8	178.2	-76.3	0	0	0	0	111.8	S128	S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.09Å
131	R	53.9	Low	53.9	Low	235 Å²	235	147.7 Å²	147.7	89%	0.887	81%	0.81	S	S	*	*			trans	151.1	97.8	150.4	-86.6	170.2	-85	-170.9	-4.8	109.3
132	N	43.7	Very low	53.7	Low	168 Å²	168	150.1 Å²	150.1	90%	0.898	82%	0.824	S	S	*	*			trans	-177.2	67.2	145.2	-89.1	-27.8	0	0	0	110.8
133	T	54.1	Low	53.6	Low	140 Å²	140	155.5 Å²	155.5	86%	0.859	84%	0.838	S	S	*	*			trans	-144.2	83.4	164.6	46.7	0	0	0	0	109.5
134	K	58.9	Low	53.4	Low	204 Å²	204	157.5 Å²	157.5	89%	0.887	85%	0.848	S	S	*	*			trans	-152.1	88.6	149.5	-117	-176.7	-175.2	-169.9	0	109.9
135	V	56.4	Low	53	Low	132 Å²	132	158.7 Å²	158.7	80%	0.8	86%	0.855	S	S	*	*			trans	-62.1	128	155.7	172.9	0	0	0	0	107.6
136	T	56.5	Low	53.1	Low	137 Å²	137	155.1 Å²	155.1	84%	0.84	86%	0.858	S	S	*	*			trans	-155.6	107.7	145.5	16.7	0	0	0	0	108.6
137	Q	54.3	Low	52.9	Low	184 Å²	184	158.9 Å²	158.9	86%	0.86	87%	0.867	S	S	*	*			trans	-89.7	134	171.9	-176	-175.5	43.2	0	0	107.2
138	S	53.3	Low	53	Low	107 Å²	107	159.3 Å²	159.3	75%	0.748	87%	0.87	S	S	*	*			trans	173.8	116.8	152.1	170	0	0	0	0	111.2
139	L	49.2	Very low	53.2	Low	249 Å²	249	163.6 Å²	163.6	100%	1.304	88%	0.879	S	S	*	*			trans	43.3	0	163.9	-83.7	95	0	0	0	120.2

Retrieved 139 of 139 residues in 57.5 ms (Link to these results)

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