A0A077ZAB0_TRITR Loading...

CCSMST1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077ZAB0_TRITR|A0A077ZAB0
MLSLHIVQLSRSAGRRFVQLSCLKAREEGAIKFSNTPAFRGRQRKLPALSIPSSQLKDPVVRIVEAISIGASLITLLLYFGFIREENDIDEAMDLRNAARKLDDIEKELLFEAIARGKAKGQDVSEYERRLENISKRT
					

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	50.8	Low	54	Low	246 Å²	246	157.6 Å²	157.6	100%	1.212	81%	0.814	S	S	*	*				0	55.6	0	-78	-170.7	142.4	0	0	111.9
2	L	51.9	Low	54.3	Low	172 Å²	172	150.7 Å²	150.7	90%	0.901	79%	0.789	S	S	*	*			trans	-134.3	10.2	-168.4	-99.2	156.9	0	0	0	116.5
3	S	54.3	Low	54.6	Low	116 Å²	116	144 Å²	144	81%	0.811	77%	0.769	S	S	*	*			trans	-106.1	9	-168.1	-66.3	0	0	0	0	117.5
4	L	57.3	Low	54.7	Low	160 Å²	160	136.7 Å²	136.7	84%	0.838	75%	0.745	S	S	*	*	S	Bend	trans	-95.1	-7.9	-175.1	-91.5	155.4	0	0	0	116.1
5	H	55.1	Low	54.9	Low	160 Å²	160	141 Å²	141	74%	0.741	75%	0.746	S	S	*	*	S	Bend	trans	-90	-10.8	-171.2	-91.2	-74	0	0	0	117
6	I	55.2	Low	55	Low	148 Å²	148	144.2 Å²	144.2	76%	0.759	75%	0.745	S	S	*	*	S	Bend	trans	-82.7	-25	-172.5	-60.8	177	0	0	0	112.6	Q8	I6-Q8 PolarHBondContact O-N 3.39Å
7	V	54.3	Low	55.1	Low	120 Å²	120	145.7 Å²	145.7	73%	0.727	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-25.2	-172.2	179.8	0	0	0	0	113.1
8	Q	52.8	Low	55.4	Low	159 Å²	159	142.9 Å²	142.9	74%	0.743	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-22.9	-177.6	-87.6	-174.9	-41.5	0	0	114.3	I6 S10	I6-Q8 PolarHBondContact O-N 3.39Å; Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.39Å
9	L	52.6	Low	55.6	Low	142 Å²	142	142.6 Å²	142.6	74%	0.743	73%	0.73	S	S	*	*	S	Bend	trans	-76.7	-20.9	-175.2	-132.9	82.7	0	0	0	113.7	S12	L9-S12 PolarHBondContact O-OG 3.33Å
10	S	55.3	Low	55.7	Low	95 Å²	95	141.4 Å²	141.4	66%	0.664	73%	0.725	S	S	*	*	H	α-helix	trans	-72.4	-30.8	-177.9	173.8	0	0	0	0	113.4	Q8 S12	Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.39Å; S10-S12 PolarHBondContact O-N 3.44Å
11	R	54.6	Low	55.7	Low	216 Å²	216	138.2 Å²	138.2	82%	0.815	72%	0.716	S	S	*	*	H	α-helix	trans	-74.9	-20.2	-174.5	-79	-176.4	163.9	-179.1	-3.6	114.5
12	S	57.7	Low	55.9	Low	74 Å²	74	130.8 Å²	130.8	52%	0.517	69%	0.687	S	S	.	*	H	α-helix	trans	-81.5	-33.6	-177.6	67.2	0	0	0	0	113	L9 S10	L9-S12 PolarHBondContact O-OG 3.33Å; S10-S12 PolarHBondContact O-N 3.44Å
13	A	57.7	Low	55.9	Low	64 Å²	64	128.4 Å²	128.4	53%	0.529	67%	0.674	S	S	.	*	H	α-helix	trans	-69.1	-39	180	0	0	0	0	0	112.3	R15 R16	A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.42Å; A13-R16 PolarHBondContact O-N 3.33Å
14	G	57.1	Low	55.9	Low	42 Å²	42	130.6 Å²	130.6	43%	0.433	67%	0.669	S	S	.	*	H	α-helix	trans	-63.8	-34.3	-179.9	0	0	0	0	0	114	F17 V18	G14-F17 PolarHBondContact O-N 3.33Å; G14-V18 PolarHBondContact O-N 3.39Å
15	R	57.4	Low	55.8	Low	201 Å²	201	125 Å²	125	76%	0.758	65%	0.646	S	S	*	*	H	α-helix	trans	-70	-32.9	-179.9	-77.3	-171.1	178.9	-171.5	-0	113.4	A13 F17 V18 Q19	A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.42Å; R15-F17 VanDerWaalsContact C-N 3.33Å; R15-V18 PolarHBondContact O-N 3.39Å; R15-Q19 PolarHBondContact O-N 3.08Å
16	R	55.7	Low	55.8	Low	192 Å²	192	128.1 Å²	128.1	73%	0.725	65%	0.651	S	S	*	*	H	α-helix	trans	-68	-35.2	177.1	-70	-173	-172.2	170.6	3.3	112	A13 Q19 L20	A13-R16 PolarHBondContact O-N 3.33Å; R16-Q19 PolarHBondContact O-N 3.37Å; R16-L20 PolarHBondContact O-N 3.29Å
17	F	56.9	Low	56	Low	170 Å²	170	129.6 Å²	129.6	75%	0.746	66%	0.655	S	S	*	*	H	α-helix	trans	-68.2	-37.9	178.8	-120.4	-86.7	0	0	0	112.6	G14 R15 L20 S21	G14-F17 PolarHBondContact O-N 3.33Å; R15-F17 VanDerWaalsContact C-N 3.33Å; F17-L20 PolarHBondContact O-N 3.34Å; F17-S21 PolarHBondContact O-N 3.49Å; F17-S21 PolarHBondContact O-OG 3.18Å
18	V	60.5	Low	56.4	Low	96 Å²	96	130.9 Å²	130.9	58%	0.582	65%	0.653	S	S	*	*	H	α-helix	trans	-71.1	-32.3	177.5	179.5	0	0	0	0	112.1	G14 R15 S21 C22	G14-V18 PolarHBondContact O-N 3.39Å; R15-V18 PolarHBondContact O-N 3.39Å; V18-S21 PolarHBondContact O-OG 3.43Å; V18-S21 VanDerWaalsContact O-OG 3.04Å; V18-C22 PolarHBondContact O-N 3.23Å
19	Q	59	Low	57	Low	136 Å²	136	126.9 Å²	126.9	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-71	-36.6	174.9	-84.2	-175.8	-35.6	0	0	113.1	R15 R16 C22 L23	R15-Q19 PolarHBondContact O-N 3.08Å; R16-Q19 PolarHBondContact O-N 3.37Å; Q19-C22 PolarHBondContact O-N 3.48Å; Q19-L23 PolarHBondContact O-N 3.41Å; Q19-L23 VanDerWaalsContact O-N 3.08Å
20	L	57.8	Low	57.8	Low	119 Å²	119	124.7 Å²	124.7	62%	0.623	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-34.8	178.2	-84.6	158.2	0	0	0	112.7	R16 F17 K24	R16-L20 PolarHBondContact O-N 3.29Å; F17-L20 PolarHBondContact O-N 3.34Å; L20-K24 PolarHBondContact O-N 3.38Å
21	S	55.6	Low	58.2	Low	75 Å²	75	125.6 Å²	125.6	52%	0.524	65%	0.653	S	S	.	*	H	α-helix	trans	-72.9	-33.6	175.2	47.3	0	0	0	0	112.9	F17 V18 A25	F17-S21 PolarHBondContact O-N 3.49Å; F17-S21 PolarHBondContact O-OG 3.18Å; V18-S21 PolarHBondContact O-OG 3.43Å; V18-S21 VanDerWaalsContact O-OG 3.04Å; S21-A25 PolarHBondContact O-N 2.78Å
22	C	55.9	Low	59.1	Low	90 Å²	90	122.2 Å²	122.2	61%	0.608	64%	0.644	S	S	*	*	H	α-helix	trans	-71	-33.9	174.6	-82.5	0	0	0	0	113.4	V18 Q19	V18-C22 PolarHBondContact O-N 3.23Å; Q19-C22 PolarHBondContact O-N 3.48Å
23	L	52.5	Low	59.7	Low	122 Å²	122	127.1 Å²	127.1	64%	0.639	66%	0.656	S	S	*	*	H	α-helix	trans	-70.9	-36.8	178.5	-88.3	164.6	0	0	0	112.5	Q19 A25 R26	Q19-L23 PolarHBondContact O-N 3.41Å; Q19-L23 VanDerWaalsContact O-N 3.08Å; L23-A25 VanDerWaalsContact C-N 3.28Å; L23-A25 PolarHBondContact O-N 3.42Å; L23-R26 PolarHBondContact O-N 3.21Å
24	K	54.2	Low	60.4	Low	162 Å²	162	126.6 Å²	126.6	70%	0.704	65%	0.649	S	S	*	*	H	α-helix	trans	-72.2	-22.6	179.2	-139.3	175.9	-174.2	179.6	0	113.5	L20 R26	L20-K24 PolarHBondContact O-N 3.38Å; K24-R26 PolarHBondContact O-N 3.47Å
25	A	55	Low	61.1	Low	43 Å²	43	129.6 Å²	129.6	36%	0.355	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-13.5	176	0	0	0	0	0	114.1	S21 L23 I31	S21-A25 PolarHBondContact O-N 2.78Å; L23-A25 VanDerWaalsContact C-N 3.28Å; L23-A25 PolarHBondContact O-N 3.42Å; A25-I31 HydrophobicContact CB-CD1 3.54Å
26	R	54.3	Low	61.8	Low	225 Å²	225	121.6 Å²	121.6	85%	0.849	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-21.4	-172.6	-154.6	176.9	-179.1	-176.9	-0.5	114.1	L23 K24	L23-R26 PolarHBondContact O-N 3.21Å; K24-R26 PolarHBondContact O-N 3.47Å
27	E	60.1	Low	62.5	Low	178 Å²	178	117.9 Å²	117.9	83%	0.832	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-20.4	-174.4	-72.7	-176.2	163	0	0	114.3
28	E	62.4	Low	63.1	Low	148 Å²	148	113.5 Å²	113.5	69%	0.692	62%	0.624	S	S	*	*	S	Bend	trans	-120.8	121	-179.7	-66.8	179.5	179.3	0	0	108.6
29	G	64.7	Low	63.4	Low	75 Å²	75	113.1 Å²	113.1	77%	0.773	62%	0.615	S	S	*	*	S	Bend	trans	-48.5	158.9	-169.6	0	0	0	0	0	115.7	I31	G29-I31 PolarHBondContact O-N 3.48Å
30	A	68.8	Low	63.6	Low	95 Å²	95	114.6 Å²	114.6	79%	0.785	62%	0.615	S	S	*	*			trans	-4.9	106	-176.9	0	0	0	0	0	115.6	K32	A30-K32 PolarHBondContact O-N 3.04Å
31	I	64.8	Low	63.7	Low	114 Å²	114	111.4 Å²	111.4	59%	0.585	61%	0.611	S	S	*	*			trans	-57.7	97.6	174.7	-60.2	168.8	0	0	0	108.6	A25 G29 F33 T36	A25-I31 HydrophobicContact CB-CD1 3.54Å; G29-I31 PolarHBondContact O-N 3.48Å; I31-F33 PolarHBondContact O-N 2.97Å; I31-T36 HydrophobicContact CG2-CG2 4.02Å
32	K	72.9	Confident	63.8	Low	146 Å²	146	116.9 Å²	116.9	64%	0.635	62%	0.62	S	S	*	*			trans	-69.4	130.7	167.2	-73.1	-173.7	177.6	-179.2	0	107.8	A30 S34 N35	A30-K32 PolarHBondContact O-N 3.04Å; K32-S34 WeakPolarHBondContact CB-OG 3.31Å; K32-S34 PolarHBondContact O-N 3.02Å; K32-N35 PolarHBondContact O-N 3.29Å
33	F	69.6	Low	64	Low	176 Å²	176	119.3 Å²	119.3	77%	0.772	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-48.6	-33	174.8	-93.4	-84.7	0	0	0	112.6	I31 N35 T36 F39	I31-F33 PolarHBondContact O-N 2.97Å; F33-N35 PolarHBondContact O-N 3.46Å; F33-T36 PolarHBondContact O-N 3.12Å; F33-T36 VanDerWaalsContact O-N 3.13Å; F33-T36 PolarHBondContact O-OG1 3.37Å; F33-F39 VanDerWaalsContact O-CB 3.23Å; F33-F39 WeakPolarHBondContact O-CB 3.37Å
34	S	74.3	Confident	64.3	Low	53 Å²	53	124.5 Å²	124.5	37%	0.371	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-59.2	-25.6	176.5	57.8	0	0	0	0	114.7	K32 F39	K32-S34 WeakPolarHBondContact CB-OG 3.31Å; K32-S34 PolarHBondContact O-N 3.02Å; S34-F39 WeakPolarHBondContact O-CD1 3.38Å
35	N	70.7	Confident	64.6	Low	105 Å²	105	125.7 Å²	125.7	56%	0.561	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-93.7	-5.8	179.9	-74.5	-24	0	0	0	113.6	K32 F33	K32-N35 PolarHBondContact O-N 3.29Å; F33-N35 PolarHBondContact O-N 3.46Å
36	T	72.3	Confident	64.7	Low	33 Å²	33	128.1 Å²	128.1	20%	0.202	65%	0.645	C	S	.	*	S	Bend	trans	-69.3	144.1	177.6	63.1	0	0	0	0	110.8	I31 F33 A38 F39 R40	I31-T36 HydrophobicContact CG2-CG2 4.02Å; F33-T36 PolarHBondContact O-N 3.12Å; F33-T36 VanDerWaalsContact O-N 3.13Å; F33-T36 PolarHBondContact O-OG1 3.37Å; T36-A38 PolarHBondContact O-N 3.04Å; T36-F39 PolarHBondContact O-N 3.25Å; T36-F39 PolarHBondContact OG1-N 3.12Å; T36-R40 PolarHBondContact O-N 3.02Å
37	P	70.8	Confident	64.9	Low	115 Å²	115	122.6 Å²	122.6	75%	0.747	64%	0.639	S	S	*	*	H	α-helix	trans	-59.5	-27	174.6	21.6	-30.8	0	0	0	112.3	F39 G41	P37-F39 PolarHBondContact O-N 3.36Å; P37-G41 PolarHBondContact O-N 3.33Å
38	A	69.2	Low	65.1	Low	77 Å²	77	118.5 Å²	118.5	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-62.2	-39	172.9	0	0	0	0	0	112.7	T36	T36-A38 PolarHBondContact O-N 3.04Å
39	F	67.4	Low	65	Low	89 Å²	89	118.9 Å²	118.9	39%	0.39	64%	0.641	S	S	.	*	H	α-helix	trans	-73.1	-44.4	177.6	-169.9	-93.2	0	0	0	112	F33 S34 T36 P37 G41 R42 Q43	F33-F39 VanDerWaalsContact O-CB 3.23Å; F33-F39 WeakPolarHBondContact O-CB 3.37Å; S34-F39 WeakPolarHBondContact O-CD1 3.38Å; T36-F39 PolarHBondContact O-N 3.25Å; T36-F39 PolarHBondContact OG1-N 3.12Å; P37-F39 PolarHBondContact O-N 3.36Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 2.79Å; F39-R42 PolarHBondContact O-N 3.15Å; F39-Q43 HydrophobicContact CE1-CG 4.46Å
40	R	62	Low	64.6	Low	167 Å²	167	120.1 Å²	120.1	63%	0.63	64%	0.638	S	S	*	*	H	α-helix	trans	-66.8	-31.5	178.1	-71	-172	-174.5	-179.1	3.1	113.1	T36	T36-R40 PolarHBondContact O-N 3.02Å
41	G	60.8	Low	64.4	Low	52 Å²	52	120.8 Å²	120.8	54%	0.536	63%	0.627	S	S	.	*	H	α-helix	trans	-69.4	-33.2	179.2	0	0	0	0	0	114	P37 F39	P37-G41 PolarHBondContact O-N 3.33Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 2.79Å
42	R	57.3	Low	64.4	Low	189 Å²	189	118.1 Å²	118.1	71%	0.713	62%	0.617	S	S	*	*	H	α-helix	trans	-76.4	-47.3	-179.9	-114.5	-171.7	169.3	-178.7	-3.1	112.1	F39 R44 K45 L46	F39-R42 PolarHBondContact O-N 3.15Å; R42-R44 VanDerWaalsContact C-N 3.28Å; R42-R44 PolarHBondContact O-N 3.07Å; R42-R44 VanDerWaalsContact O-N 3.13Å; R42-K45 PolarHBondContact O-N 3.08Å; R42-L46 HydrophobicContact CB-CD1 3.77Å; R42-L46 HydrophobicContact CG-CD1 3.58Å; R42-L46 WeakPolarHBondContact O-CD1 3.18Å; R42-L46 PolarHBondContact O-N 2.78Å
43	Q	59.5	Low	64	Low	142 Å²	142	116.2 Å²	116.2	66%	0.664	62%	0.622	S	S	*	*	H	α-helix	trans	-64.6	-25.1	-168.8	-80.5	-159.4	-28.8	0	0	115.4	F39	F39-Q43 HydrophobicContact CE1-CG 4.46Å
44	R	59.7	Low	63.6	Low	231 Å²	231	113.1 Å²	113.1	87%	0.872	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9.8	-178.7	-73.8	-175.8	173.1	170.3	-2.3	115	R42	R42-R44 VanDerWaalsContact C-N 3.28Å; R42-R44 PolarHBondContact O-N 3.07Å; R42-R44 VanDerWaalsContact O-N 3.13Å
45	K	59.2	Low	62.9	Low	187 Å²	187	117.1 Å²	117.1	81%	0.813	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	7.3	-173.8	-70.7	-170.7	178.8	-174.2	0	114.8	R42 P47	R42-K45 PolarHBondContact O-N 3.08Å; K45-P47 WeakPolarHBondContact O-CD 3.36Å
46	L	58.5	Low	62.6	Low	94 Å²	94	116.3 Å²	116.3	49%	0.492	63%	0.63	S	S	.	*	S	Bend	trans	-69.9	123.2	163.5	-92.8	108	0	0	0	107.8	R42 A48	R42-L46 HydrophobicContact CB-CD1 3.77Å; R42-L46 HydrophobicContact CG-CD1 3.58Å; R42-L46 WeakPolarHBondContact O-CD1 3.18Å; R42-L46 PolarHBondContact O-N 2.78Å; L46-A48 PolarHBondContact O-N 2.79Å
47	P	58.9	Low	62.4	Low	109 Å²	109	119.8 Å²	119.8	71%	0.708	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-55.5	136.1	165.6	25.5	-31.3	0	0	0	106.9	K45 L49	K45-P47 WeakPolarHBondContact O-CD 3.36Å; P47-L49 PolarHBondContact O-N 3.4Å
48	A	63.1	Low	62.9	Low	91 Å²	91	119.7 Å²	119.7	75%	0.752	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-47.8	123.9	165.7	0	0	0	0	0	106.2	L46 S50	L46-A48 PolarHBondContact O-N 2.79Å; A48-S50 PolarHBondContact O-N 2.9Å
49	L	60.3	Low	63.5	Low	157 Å²	157	119.7 Å²	119.7	82%	0.822	63%	0.629	S	S	*	*			trans	-62	83.1	174.3	-96	131.7	0	0	0	107.1	P47 I51	P47-L49 PolarHBondContact O-N 3.4Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.36Å; L49-I51 VanDerWaalsContact O-N 3.12Å
50	S	57.5	Low	64.3	Low	101 Å²	101	120.3 Å²	120.3	71%	0.706	64%	0.64	S	S	*	*			trans	-76.6	96.4	167.3	69.1	0	0	0	0	105	A48 P52	A48-S50 PolarHBondContact O-N 2.9Å; S50-P52 VanDerWaalsContact O-CD 3.27Å; S50-P52 WeakPolarHBondContact O-CD 3.38Å; S50-P52 VanDerWaalsContact O-N 3.11Å
51	I	64.3	Low	65.4	Low	108 Å²	108	115.5 Å²	115.5	55%	0.554	63%	0.629	S	S	*	*			trans	-60.7	115.5	167.2	-59.5	163.4	0	0	0	104.8	L49 S53 Q55 L56	L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.36Å; L49-I51 VanDerWaalsContact O-N 3.12Å; I51-S53 PolarHBondContact O-N 3.49Å; I51-Q55 HydrophobicContact CG2-CB 3.82Å; I51-L56 HydrophobicContact CB-CD1 4.42Å; I51-L56 HydrophobicContact CG2-CD1 3.89Å
52	P	63.9	Low	66.5	Low	59 Å²	59	118.6 Å²	118.6	38%	0.383	63%	0.625	S	S	.	*			trans	-60.2	141.2	-179.4	25.7	-32.6	0	0	0	108	S50 S54 Q55	S50-P52 VanDerWaalsContact O-CD 3.27Å; S50-P52 WeakPolarHBondContact O-CD 3.38Å; S50-P52 VanDerWaalsContact O-N 3.11Å; P52-S54 PolarHBondContact O-N 3.48Å; P52-Q55 HydrophobicContact CG-CB 4.25Å; P52-Q55 HydrophobicContact CG-CG 3.91Å; P52-Q55 WeakPolarHBondContact O-CB 3.33Å; P52-Q55 PolarHBondContact O-N 3.04Å
53	S	65.4	Low	68	Low	106 Å²	106	114.7 Å²	114.7	74%	0.741	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-56.7	-21.2	179.4	45	0	0	0	0	113	I51 Q55 L56	I51-S53 PolarHBondContact O-N 3.49Å; S53-Q55 VanDerWaalsContact C-N 3.26Å; S53-Q55 PolarHBondContact O-N 2.97Å; S53-L56 WeakPolarHBondContact O-CB 3.29Å; S53-L56 PolarHBondContact O-N 3.12Å; S53-L56 VanDerWaalsContact O-N 3.15Å
54	S	60.2	Low	69.5	Low	110 Å²	110	112.1 Å²	112.1	77%	0.769	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-68.2	-18	171	57.7	0	0	0	0	114.8	P52	P52-S54 PolarHBondContact O-N 3.48Å
55	Q	60.3	Low	70.9	Confident	138 Å²	138	104.7 Å²	104.7	65%	0.645	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-93.6	-10.2	170.5	-75.3	-174.9	3.9	0	0	112.8	I51 P52 S53 K57	I51-Q55 HydrophobicContact CG2-CB 3.82Å; P52-Q55 HydrophobicContact CG-CB 4.25Å; P52-Q55 HydrophobicContact CG-CG 3.91Å; P52-Q55 WeakPolarHBondContact O-CB 3.33Å; P52-Q55 PolarHBondContact O-N 3.04Å; S53-Q55 VanDerWaalsContact C-N 3.26Å; S53-Q55 PolarHBondContact O-N 2.97Å; Q55-K57 PolarHBondContact O-N 2.93Å; Q55-K57 VanDerWaalsContact O-N 3.11Å
56	L	64.5	Low	72.4	Confident	88 Å²	88	98.7 Å²	98.7	46%	0.461	57%	0.571	S	S	.	*	S	Bend	trans	-74.4	104.2	169	-89.7	80.4	0	0	0	107.8	I51 S53	I51-L56 HydrophobicContact CB-CD1 4.42Å; I51-L56 HydrophobicContact CG2-CD1 3.89Å; S53-L56 WeakPolarHBondContact O-CB 3.29Å; S53-L56 PolarHBondContact O-N 3.12Å; S53-L56 VanDerWaalsContact O-N 3.15Å
57	K	68.1	Low	74.2	Confident	105 Å²	105	99.6 Å²	99.6	46%	0.457	58%	0.575	S	S	.	*			trans	-49.5	141.9	172.2	-65.2	-178.8	-173.8	-177.1	0	110.2	Q55 V61 R62 E65	Q55-K57 PolarHBondContact O-N 2.93Å; Q55-K57 VanDerWaalsContact O-N 3.11Å; K57-V61 HydrophobicContact CB-CG1 4.44Å; K57-V61 HydrophobicContact CD-CG1 4.31Å; K57-R62 HydrophobicContact CB-CG 3.9Å; K57-R62 VanDerWaalsContact O-CZ 3.25Å; K57-R62 PolarHBondContact O-NE 3Å; K57-R62 PolarHBondContact O-NH2 2.73Å; K57-E65 WeakPolarHBondContact CD-OE2 3.23Å; K57-E65 IonicContact NZ-OE1 3.49Å; K57-E65 PolarHBondContact NZ-OE1 3.29Å; K57-E65 IonicContact NZ-OE2 2.75Å; K57-E65 PolarHBondContact NZ-OE2 3.36Å
58	D	80.4	Confident	75.9	Confident	114 Å²	114	98 Å²	98	61%	0.61	57%	0.566	S	S	*	*			trans	-49.5	141.2	174.7	-82	-37.9	0	0	0	110.5	V60 V61 R62	D58-V60 PolarHBondContact O-N 3.29Å; D58-V60 VanDerWaalsContact O-N 3.15Å; D58-V61 HydrophobicContact CB-CB 4.45Å; D58-V61 HydrophobicContact CB-CG2 4.02Å; D58-V61 WeakPolarHBondContact O-CB 3.38Å; D58-V61 PolarHBondContact O-N 3.44Å; D58-R62 PolarHBondContact O-N 3.15Å
59	P	81.8	Confident	77.4	Confident	77 Å²	77	99 Å²	99	50%	0.5	56%	0.558	S	S	.	*	H	α-helix	trans	-57	-34.2	-176.3	23.3	-33.3	0	0	0	111.7	R62 I63	P59-R62 PolarHBondContact O-N 3.4Å; P59-I63 WeakPolarHBondContact O-CG1 3.46Å; P59-I63 PolarHBondContact O-N 3.04Å; P59-I63 VanDerWaalsContact O-N 3.08Å
60	V	85.1	Confident	79.1	Confident	102 Å²	102	92.9 Å²	92.9	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-46.6	175.4	-176.8	0	0	0	0	111.2	D58 R62 I63 V64	D58-V60 PolarHBondContact O-N 3.29Å; D58-V60 VanDerWaalsContact O-N 3.15Å; V60-R62 VanDerWaalsContact C-N 3.31Å; V60-R62 PolarHBondContact O-N 3.21Å; V60-I63 PolarHBondContact O-N 3.5Å; V60-V64 WeakPolarHBondContact O-CG2 3.39Å; V60-V64 PolarHBondContact O-N 2.81Å
61	V	85.3	Confident	80.9	Confident	65 Å²	65	90.4 Å²	90.4	39%	0.394	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-41.1	178.3	178	0	0	0	0	110.6	K57 D58 I63 V64 E65	K57-V61 HydrophobicContact CB-CG1 4.44Å; K57-V61 HydrophobicContact CD-CG1 4.31Å; D58-V61 HydrophobicContact CB-CB 4.45Å; D58-V61 HydrophobicContact CB-CG2 4.02Å; D58-V61 WeakPolarHBondContact O-CB 3.38Å; D58-V61 PolarHBondContact O-N 3.44Å; V61-I63 VanDerWaalsContact C-N 3.35Å; V61-I63 PolarHBondContact O-N 3.26Å; V61-V64 PolarHBondContact O-N 3.46Å; V61-E65 HydrophobicContact CG1-CG 4.43Å; V61-E65 WeakPolarHBondContact O-CB 3.39Å; V61-E65 WeakPolarHBondContact O-CG 3.37Å; V61-E65 PolarHBondContact O-N 3.13Å
62	R	83	Confident	82.4	Confident	117 Å²	117	88.6 Å²	88.6	44%	0.442	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-40.4	176.2	-76.1	-175.1	-87.9	-174.9	-6.3	113	K57 D58 P59 V60 A66	K57-R62 HydrophobicContact CB-CG 3.9Å; K57-R62 VanDerWaalsContact O-CZ 3.25Å; K57-R62 PolarHBondContact O-NE 3Å; K57-R62 PolarHBondContact O-NH2 2.73Å; D58-R62 PolarHBondContact O-N 3.15Å; P59-R62 PolarHBondContact O-N 3.4Å; V60-R62 VanDerWaalsContact C-N 3.31Å; V60-R62 PolarHBondContact O-N 3.21Å; R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.87Å
63	I	88.8	Confident	83.9	Confident	107 Å²	107	90.4 Å²	90.4	55%	0.549	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-44.6	177.6	-67.7	164.6	0	0	0	110.2	P59 V60 V61 E65 A66 I67	P59-I63 WeakPolarHBondContact O-CG1 3.46Å; P59-I63 PolarHBondContact O-N 3.04Å; P59-I63 VanDerWaalsContact O-N 3.08Å; V60-I63 PolarHBondContact O-N 3.5Å; V61-I63 VanDerWaalsContact C-N 3.35Å; V61-I63 PolarHBondContact O-N 3.26Å; I63-E65 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 3.02Å; I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.32Å; I63-I67 PolarHBondContact O-N 3.42Å
64	V	91.3	Very high	85.3	Confident	89 Å²	89	90.2 Å²	90.2	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-42.7	177.4	175.8	0	0	0	0	111.3	V60 V61 I67 S68	V60-V64 WeakPolarHBondContact O-CG2 3.39Å; V60-V64 PolarHBondContact O-N 2.81Å; V61-V64 PolarHBondContact O-N 3.46Å; V64-I67 PolarHBondContact O-N 3.22Å; V64-S68 WeakPolarHBondContact O-CB 3.43Å; V64-S68 PolarHBondContact O-N 3.41Å
65	E	89	Confident	86.9	Confident	74 Å²	74	89.3 Å²	89.3	35%	0.346	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-44.1	174	-76.1	-179.5	177.4	0	0	111.7	K57 V61 I63 I67 S68 I69	K57-E65 WeakPolarHBondContact CD-OE2 3.23Å; K57-E65 IonicContact NZ-OE1 3.49Å; K57-E65 PolarHBondContact NZ-OE1 3.29Å; K57-E65 IonicContact NZ-OE2 2.75Å; K57-E65 PolarHBondContact NZ-OE2 3.36Å; V61-E65 HydrophobicContact CG1-CG 4.43Å; V61-E65 WeakPolarHBondContact O-CB 3.39Å; V61-E65 WeakPolarHBondContact O-CG 3.37Å; V61-E65 PolarHBondContact O-N 3.13Å; I63-E65 PolarHBondContact O-N 2.87Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 3.5Å; E65-S68 PolarHBondContact O-N 2.94Å; E65-I69 WeakPolarHBondContact O-CB 3.38Å; E65-I69 VanDerWaalsContact O-CG1 3.22Å; E65-I69 WeakPolarHBondContact O-CG1 3.15Å; E65-I69 PolarHBondContact O-N 3.5Å
66	A	91.3	Very high	88.4	Confident	61 Å²	61	87 Å²	87	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-41.4	177.4	0	0	0	0	0	112.1	R62 I63 I69 G70	R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 3.02Å; A66-I69 PolarHBondContact O-N 2.95Å; A66-G70 PolarHBondContact O-N 2.83Å
67	I	94.8	Very high	89.5	Confident	113 Å²	113	87.9 Å²	87.9	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-64.7	-42.8	175	-67.3	166.6	0	0	0	110.4	I63 V64 E65 G70 A71	I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.32Å; I63-I67 PolarHBondContact O-N 3.42Å; V64-I67 PolarHBondContact O-N 3.22Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 3.5Å; I67-G70 PolarHBondContact O-N 2.99Å; I67-A71 VanDerWaalsContact O-CB 3.31Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.18Å
68	S	94.8	Very high	90.5	Very high	75 Å²	75	86.5 Å²	86.5	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-44.5	177.6	176.4	0	0	0	0	111.8	V64 E65 A71 S72	V64-S68 WeakPolarHBondContact O-CB 3.43Å; V64-S68 PolarHBondContact O-N 3.41Å; E65-S68 PolarHBondContact O-N 2.94Å; S68-A71 PolarHBondContact O-N 2.95Å; S68-S72 WeakPolarHBondContact O-CB 3.27Å; S68-S72 PolarHBondContact O-N 2.68Å; S68-S72 PolarHBondContact O-OG 2.85Å
69	I	95.1	Very high	90.8	Very high	112 Å²	112	86.6 Å²	86.6	57%	0.574	49%	0.487	S	S	*	.	H	α-helix	trans	-61.2	-48.1	174.8	-67.8	163.6	0	0	0	109.8	E65 A66 A71 S72 L73	E65-I69 WeakPolarHBondContact O-CB 3.38Å; E65-I69 VanDerWaalsContact O-CG1 3.22Å; E65-I69 WeakPolarHBondContact O-CG1 3.15Å; E65-I69 PolarHBondContact O-N 3.5Å; A66-I69 PolarHBondContact O-N 2.95Å; I69-A71 PolarHBondContact O-N 3.39Å; I69-S72 PolarHBondContact O-N 3.01Å; I69-S72 PolarHBondContact O-OG 3.18Å; I69-L73 WeakPolarHBondContact O-CB 3.44Å; I69-L73 PolarHBondContact O-N 3.4Å
70	G	96.2	Very high	90.7	Very high	29 Å²	29	88.4 Å²	88.4	30%	0.299	49%	0.488	S	S	.	.	H	α-helix	trans	-57.7	-48.8	177	0	0	0	0	0	112.2	A66 I67 S72 L73 I74	A66-G70 PolarHBondContact O-N 2.83Å; I67-G70 PolarHBondContact O-N 2.99Å; G70-S72 VanDerWaalsContact C-N 3.34Å; G70-S72 PolarHBondContact O-N 3.28Å; G70-L73 PolarHBondContact O-N 2.78Å; G70-I74 WeakPolarHBondContact O-CB 3.26Å; G70-I74 WeakPolarHBondContact O-CG1 3.46Å; G70-I74 PolarHBondContact O-N 3.17Å
71	A	96.1	Very high	90.3	Very high	49 Å²	49	86.2 Å²	86.2	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-43.2	176.6	0	0	0	0	0	111.5	I67 S68 I69 L73 I74 T75	I67-A71 VanDerWaalsContact O-CB 3.31Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.18Å; S68-A71 PolarHBondContact O-N 2.95Å; I69-A71 PolarHBondContact O-N 3.39Å; A71-L73 PolarHBondContact O-N 3.29Å; A71-I74 PolarHBondContact O-N 3.45Å; A71-T75 WeakPolarHBondContact O-CB 3.48Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 PolarHBondContact O-OG1 3.46Å
72	S	95	Very high	89.8	Confident	70 Å²	70	91.4 Å²	91.4	49%	0.49	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-41.1	178	75.3	0	0	0	0	112.3	S68 I69 G70 L76	S68-S72 WeakPolarHBondContact O-CB 3.27Å; S68-S72 PolarHBondContact O-N 2.68Å; S68-S72 PolarHBondContact O-OG 2.85Å; I69-S72 PolarHBondContact O-N 3.01Å; I69-S72 PolarHBondContact O-OG 3.18Å; G70-S72 VanDerWaalsContact C-N 3.34Å; G70-S72 PolarHBondContact O-N 3.28Å; S72-L76 WeakPolarHBondContact O-CB 3.39Å; S72-L76 PolarHBondContact O-N 3.36Å
73	L	95.9	Very high	89.2	Confident	98 Å²	98	91.8 Å²	91.8	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-43	176.8	-172.1	67.4	0	0	0	111.6	I69 G70 A71 L76 L77	I69-L73 WeakPolarHBondContact O-CB 3.44Å; I69-L73 PolarHBondContact O-N 3.4Å; G70-L73 PolarHBondContact O-N 2.78Å; A71-L73 PolarHBondContact O-N 3.29Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-L77 HydrophobicContact CG-CD1 4.41Å; L73-L77 WeakPolarHBondContact O-CG 3.1Å; L73-L77 PolarHBondContact O-N 3.45Å
74	I	94.9	Very high	88.5	Confident	101 Å²	101	90.2 Å²	90.2	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-46	177.5	-67.8	168	0	0	0	110.3	G70 A71 L76 L77 L78	G70-I74 WeakPolarHBondContact O-CB 3.26Å; G70-I74 WeakPolarHBondContact O-CG1 3.46Å; G70-I74 PolarHBondContact O-N 3.17Å; A71-I74 PolarHBondContact O-N 3.45Å; I74-L76 VanDerWaalsContact C-N 3.29Å; I74-L76 PolarHBondContact O-N 3.23Å; I74-L77 PolarHBondContact O-N 3.4Å; I74-L78 HydrophobicContact CG2-CD1 3.82Å; I74-L78 HydrophobicContact CG2-CG 4.32Å; I74-L78 WeakPolarHBondContact O-CB 3.43Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 3.3Å
75	T	93.3	Very high	87.2	Confident	91 Å²	91	94.1 Å²	94.1	56%	0.558	51%	0.512	S	S	*	.	H	α-helix	trans	-61.4	-39.7	176	-59	0	0	0	0	111.3	A71 L78 Y79	A71-T75 WeakPolarHBondContact O-CB 3.48Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 PolarHBondContact O-OG1 3.46Å; T75-L78 PolarHBondContact O-N 2.91Å; T75-Y79 VanDerWaalsContact O-CB 3.23Å; T75-Y79 WeakPolarHBondContact O-CB 3.29Å; T75-Y79 PolarHBondContact O-N 2.92Å
76	L	91.1	Very high	86	Confident	89 Å²	89	99.4 Å²	99.4	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-62.5	-47.2	174.9	-172.9	149	0	0	0	111.1	S72 L73 I74 Y79 F80	S72-L76 WeakPolarHBondContact O-CB 3.39Å; S72-L76 PolarHBondContact O-N 3.36Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 3.1Å; I74-L76 VanDerWaalsContact C-N 3.29Å; I74-L76 PolarHBondContact O-N 3.23Å; L76-Y79 PolarHBondContact O-N 2.95Å; L76-F80 HydrophobicContact CD1-CE2 4.46Å; L76-F80 HydrophobicContact CD2-CD2 3.79Å; L76-F80 HydrophobicContact CD2-CE2 4.17Å; L76-F80 HydrophobicContact CG-CD2 3.82Å; L76-F80 HydrophobicContact CG-CE2 3.91Å; L76-F80 VanDerWaalsContact O-CD2 3.29Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; L76-F80 PolarHBondContact O-N 3.45Å
77	L	89.1	Confident	84.5	Confident	108 Å²	108	100.1 Å²	100.1	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-40.8	177.5	-70.7	173.5	0	0	0	112.5	L73 I74 G81	L73-L77 HydrophobicContact CG-CD1 4.41Å; L73-L77 WeakPolarHBondContact O-CG 3.1Å; L73-L77 PolarHBondContact O-N 3.45Å; I74-L77 PolarHBondContact O-N 3.4Å; L77-G81 WeakPolarHBondContact O-CA 3.35Å; L77-G81 PolarHBondContact O-N 3.05Å
78	L	88.9	Confident	82.8	Confident	76 Å²	76	100.7 Å²	100.7	40%	0.398	54%	0.537	S	S	.	.	H	α-helix	trans	-65.4	-42.2	175.6	-76.4	170.5	0	0	0	111.6	I74 T75 F82 I83	I74-L78 HydrophobicContact CG2-CD1 3.82Å; I74-L78 HydrophobicContact CG2-CG 4.32Å; I74-L78 WeakPolarHBondContact O-CB 3.43Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 3.3Å; T75-L78 PolarHBondContact O-N 2.91Å; L78-F82 HydrophobicContact CD2-CD2 3.8Å; L78-F82 HydrophobicContact CD2-CE2 4.22Å; L78-F82 WeakPolarHBondContact O-CB 3.43Å; L78-F82 PolarHBondContact O-N 3Å; L78-I83 PolarHBondContact O-N 3.2Å
79	Y	85	Confident	81.2	Confident	116 Å²	116	101.4 Å²	101.4	46%	0.455	53%	0.534	S	S	.	.	I	π-helix	trans	-60.2	-60.2	175	179.1	-106.3	0	0	0	110.1	T75 L76 G81 I83 R84	T75-Y79 VanDerWaalsContact O-CB 3.23Å; T75-Y79 WeakPolarHBondContact O-CB 3.29Å; T75-Y79 PolarHBondContact O-N 2.92Å; L76-Y79 PolarHBondContact O-N 2.95Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 3.45Å; Y79-I83 PolarHBondContact O-N 3.38Å; Y79-R84 WeakPolarHBondContact O-CA 3.49Å; Y79-R84 WeakPolarHBondContact O-CB 3.19Å; Y79-R84 PolarHBondContact O-N 3.13Å
80	F	80.7	Confident	79.6	Confident	115 Å²	115	99.2 Å²	99.2	50%	0.504	52%	0.523	S	S	.	.	I	π-helix	trans	-70.5	-24.1	-176.6	-77	-83.6	0	0	0	114.7	L76	L76-F80 HydrophobicContact CD1-CE2 4.46Å; L76-F80 HydrophobicContact CD2-CD2 3.79Å; L76-F80 HydrophobicContact CD2-CE2 4.17Å; L76-F80 HydrophobicContact CG-CD2 3.82Å; L76-F80 HydrophobicContact CG-CE2 3.91Å; L76-F80 VanDerWaalsContact O-CD2 3.29Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; L76-F80 PolarHBondContact O-N 3.45Å
81	G	77.2	Confident	77.9	Confident	56 Å²	56	104.8 Å²	104.8	58%	0.577	54%	0.541	S	S	*	.	I	π-helix	trans	-98.1	-27.7	-174.5	0	0	0	0	0	115.6	L77 Y79	L77-G81 WeakPolarHBondContact O-CA 3.35Å; L77-G81 PolarHBondContact O-N 3.05Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 3.45Å
82	F	74.3	Confident	76.1	Confident	173 Å²	173	105 Å²	105	76%	0.759	54%	0.544	S	S	*	.	I	π-helix	trans	-131.2	-39.9	-173.1	-67.5	-86.3	0	0	0	114.4	L78	L78-F82 HydrophobicContact CD2-CD2 3.8Å; L78-F82 HydrophobicContact CD2-CE2 4.22Å; L78-F82 WeakPolarHBondContact O-CB 3.43Å; L78-F82 PolarHBondContact O-N 3Å
83	I	71.4	Confident	74.3	Confident	126 Å²	126	107.2 Å²	107.2	65%	0.646	55%	0.547	S	S	*	.	I	π-helix	trans	-96.5	-28.7	-170.1	-59.4	172.2	0	0	0	112	L78 Y79 E85	L78-I83 PolarHBondContact O-N 3.2Å; Y79-I83 PolarHBondContact O-N 3.38Å; I83-E85 VanDerWaalsContact C-N 3.32Å; I83-E85 PolarHBondContact O-N 3.24Å
84	R	73	Confident	72.6	Confident	73 Å²	73	106.2 Å²	106.2	28%	0.275	54%	0.542	S	S	.	.	S	Bend	trans	-62.6	99.7	174.5	179.9	177.4	177.7	118.9	-3.1	106.9	Y79 D90	Y79-R84 WeakPolarHBondContact O-CA 3.49Å; Y79-R84 WeakPolarHBondContact O-CB 3.19Å; Y79-R84 PolarHBondContact O-N 3.13Å; R84-D90 IonicContact NE-OD2 2.62Å
85	E	64.1	Low	71	Confident	172 Å²	172	108.5 Å²	108.5	80%	0.804	56%	0.555	S	S	*	*			trans	-42.4	143.5	160.3	-111.4	170.7	167	0	0	108.7	I83 N87	I83-E85 VanDerWaalsContact C-N 3.32Å; I83-E85 PolarHBondContact O-N 3.24Å; E85-N87 PolarHBondContact O-N 2.89Å
86	E	63.4	Low	69.5	Low	185 Å²	185	113.9 Å²	113.9	86%	0.864	57%	0.565	S	S	*	*			trans	-53.7	94.6	169.7	-69.6	178.7	171.7	0	0	107.4
87	N	60.7	Low	68.4	Low	75 Å²	75	112.5 Å²	112.5	40%	0.401	56%	0.558	S	S	.	*			trans	-70.8	143.3	-179	-165.2	16.5	0	0	0	105.5	E85 I89 D90	E85-N87 PolarHBondContact O-N 2.89Å; N87-I89 CarbonylContact O-C 3.55Å; N87-I89 PolarHBondContact O-N 3.47Å; N87-D90 WeakPolarHBondContact O-CB 3.17Å; N87-D90 PolarHBondContact O-N 3.4Å
88	D	58.8	Low	67.5	Low	126 Å²	126	109.6 Å²	109.6	67%	0.674	55%	0.55	S	S	*	.	H	α-helix	trans	-47	-23.1	179.3	-75.2	-26	0	0	0	113.8	A92	D88-A92 WeakPolarHBondContact O-CB 3.45Å; D88-A92 PolarHBondContact O-N 3.49Å
89	I	60.9	Low	66.9	Low	90 Å²	90	108.7 Å²	108.7	46%	0.462	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-39	173.9	-52.8	178	0	0	0	112.3	N87 A92 M93	N87-I89 CarbonylContact O-C 3.55Å; N87-I89 PolarHBondContact O-N 3.47Å; I89-A92 CarbonylContact O-C 3.58Å; I89-A92 PolarHBondContact O-N 2.94Å; I89-M93 HydrophobicContact CG2-CG 4.19Å; I89-M93 HydrophobicContact CG2-SD 4.19Å; I89-M93 WeakPolarHBondContact O-CA 3.44Å; I89-M93 WeakPolarHBondContact O-CB 3.4Å; I89-M93 VanDerWaalsContact O-CG 3.28Å; I89-M93 WeakPolarHBondContact O-CG 3.28Å; I89-M93 PolarHBondContact O-N 3.48Å
90	D	62.2	Low	66.5	Low	65 Å²	65	110.8 Å²	110.8	35%	0.348	56%	0.56	S	S	.	*	H	α-helix	trans	-72.2	-34.9	179.1	-63.2	-43.3	0	0	0	110.7	R84 N87 M93 D94	R84-D90 IonicContact NE-OD2 2.62Å; N87-D90 WeakPolarHBondContact O-CB 3.17Å; N87-D90 PolarHBondContact O-N 3.4Å; D90-M93 CarbonylContact O-C 3.39Å; D90-D94 PolarHBondContact O-N 3.3Å; D90-D94 VanDerWaalsContact O-N 3.09Å
91	E	59.9	Low	66.5	Low	146 Å²	146	110.2 Å²	110.2	68%	0.682	56%	0.557	S	S	*	*	H	α-helix	trans	-70.2	-38.2	168.8	-166.7	173.3	-169.6	0	0	111.7	D94	E91-D94 WeakPolarHBondContact O-CB 3.31Å; E91-D94 PolarHBondContact O-N 3.39Å
92	A	58.9	Low	66.9	Low	55 Å²	55	112.8 Å²	112.8	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-31.2	175.1	0	0	0	0	0	113.3	D88 I89 K101	D88-A92 WeakPolarHBondContact O-CB 3.45Å; D88-A92 PolarHBondContact O-N 3.49Å; I89-A92 CarbonylContact O-C 3.58Å; I89-A92 PolarHBondContact O-N 2.94Å; A92-K101 PolarHBondContact O-NZ 3.24Å
93	M	56.3	Low	67.5	Low	115 Å²	115	106.5 Å²	106.5	57%	0.567	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	21.7	175.7	-70.5	-164.8	-7.3	0	0	112.8	I89 D90 L95	I89-M93 HydrophobicContact CG2-CG 4.19Å; I89-M93 HydrophobicContact CG2-SD 4.19Å; I89-M93 WeakPolarHBondContact O-CA 3.44Å; I89-M93 WeakPolarHBondContact O-CB 3.4Å; I89-M93 VanDerWaalsContact O-CG 3.28Å; I89-M93 WeakPolarHBondContact O-CG 3.28Å; I89-M93 PolarHBondContact O-N 3.48Å; D90-M93 CarbonylContact O-C 3.39Å; M93-L95 PolarHBondContact O-N 3.49Å
94	D	61.7	Low	68.2	Low	77 Å²	77	104.3 Å²	104.3	41%	0.412	52%	0.521	S	S	.	.			trans	-53.2	108.6	172.5	-169.7	10.8	0	0	0	108	D90 E91 R96 N97 A98	D90-D94 PolarHBondContact O-N 3.3Å; D90-D94 VanDerWaalsContact O-N 3.09Å; E91-D94 WeakPolarHBondContact O-CB 3.31Å; E91-D94 PolarHBondContact O-N 3.39Å; D94-R96 PolarHBondContact O-N 3.36Å; D94-N97 HydrophobicContact CB-CB 4.22Å; D94-N97 CarbonylContact O-C 3.52Å; D94-N97 WeakPolarHBondContact O-CA 3.38Å; D94-N97 WeakPolarHBondContact O-CB 3.32Å; D94-N97 PolarHBondContact O-N 3.04Å; D94-A98 PolarHBondContact O-N 2.96Å
95	L	59.4	Low	69	Low	149 Å²	149	105.1 Å²	105.1	78%	0.78	53%	0.53	S	S	*	.	H	α-helix	trans	-58.5	-25.3	-165	-78.3	153	0	0	0	111.3	M93	M93-L95 PolarHBondContact O-N 3.49Å
96	R	62.2	Low	70.3	Confident	204 Å²	204	99.3 Å²	99.3	77%	0.77	50%	0.503	S	S	*	.	H	α-helix	trans	-70.8	-39	172.2	-74.8	-179.1	158.8	-168.2	-4.4	113	D94	D94-R96 PolarHBondContact O-N 3.36Å
97	N	68.2	Low	71.7	Confident	60 Å²	60	92.4 Å²	92.4	32%	0.321	47%	0.47	S	S	.	.	H	α-helix	trans	-72.9	-30.4	171.5	-91.6	-13.3	0	0	0	112.3	D94 A99 R100 K101	D94-N97 HydrophobicContact CB-CB 4.22Å; D94-N97 CarbonylContact O-C 3.52Å; D94-N97 WeakPolarHBondContact O-CA 3.38Å; D94-N97 WeakPolarHBondContact O-CB 3.32Å; D94-N97 PolarHBondContact O-N 3.04Å; N97-A99 VanDerWaalsContact C-N 3.32Å; N97-A99 PolarHBondContact O-N 3.21Å; N97-R100 PolarHBondContact O-N 3.12Å; N97-K101 VanDerWaalsContact O-CB 3.31Å; N97-K101 WeakPolarHBondContact O-CB 3.38Å; N97-K101 VanDerWaalsContact O-CG 3.28Å; N97-K101 WeakPolarHBondContact O-CG 3.28Å; N97-K101 PolarHBondContact O-N 2.78Å
98	A	70.9	Confident	73.2	Confident	47 Å²	47	95.6 Å²	95.6	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-42.6	177.6	0	0	0	0	0	112.1	D94 L102	D94-A98 PolarHBondContact O-N 2.96Å; A98-L102 WeakPolarHBondContact O-CB 3.14Å; A98-L102 PolarHBondContact O-N 3.23Å
99	A	75.1	Confident	74.9	Confident	57 Å²	57	94.3 Å²	94.3	47%	0.471	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-43.6	175.7	0	0	0	0	0	112.2	N97 L102 D103	N97-A99 VanDerWaalsContact C-N 3.32Å; N97-A99 PolarHBondContact O-N 3.21Å; A99-L102 WeakPolarHBondContact O-CB 3.48Å; A99-L102 PolarHBondContact O-N 3.23Å; A99-D103 PolarHBondContact O-N 3.4Å; A99-D103 VanDerWaalsContact O-N 3.12Å
100	R	77.4	Confident	76.5	Confident	160 Å²	160	90.8 Å²	90.8	60%	0.604	46%	0.457	S	S	*	.	H	α-helix	trans	-65	-44.9	177.1	-68.6	177.7	177.8	172.7	-2.8	112.3	N97 L102 D103 D104	N97-R100 PolarHBondContact O-N 3.12Å; R100-L102 PolarHBondContact O-N 3.15Å; R100-D103 PolarHBondContact O-N 3.33Å; R100-D103 VanDerWaalsContact O-N 3.15Å; R100-D104 PolarHBondContact O-N 3.04Å
101	K	81.3	Confident	78	Confident	103 Å²	103	93.5 Å²	93.5	45%	0.448	47%	0.466	S	S	.	.	H	α-helix	trans	-58.1	-38.6	174.6	-76.5	177.4	179.7	176.3	0	111.1	A92 N97 D104 I105	A92-K101 PolarHBondContact O-NZ 3.24Å; N97-K101 VanDerWaalsContact O-CB 3.31Å; N97-K101 WeakPolarHBondContact O-CB 3.38Å; N97-K101 VanDerWaalsContact O-CG 3.28Å; N97-K101 WeakPolarHBondContact O-CG 3.28Å; N97-K101 PolarHBondContact O-N 2.78Å; K101-D104 PolarHBondContact O-N 3.4Å; K101-I105 WeakPolarHBondContact O-CB 3.18Å; K101-I105 WeakPolarHBondContact O-CD1 3.48Å; K101-I105 WeakPolarHBondContact O-CG1 3.27Å; K101-I105 PolarHBondContact O-N 2.91Å
102	L	84.9	Confident	79.6	Confident	111 Å²	111	91 Å²	91	58%	0.581	46%	0.455	S	S	*	.	H	α-helix	trans	-64.5	-44.1	176.5	-174.5	65.2	0	0	0	111.9	A98 A99 R100 D104 I105 E106	A98-L102 WeakPolarHBondContact O-CB 3.14Å; A98-L102 PolarHBondContact O-N 3.23Å; A99-L102 WeakPolarHBondContact O-CB 3.48Å; A99-L102 PolarHBondContact O-N 3.23Å; R100-L102 PolarHBondContact O-N 3.15Å; L102-D104 VanDerWaalsContact C-N 3.31Å; L102-D104 PolarHBondContact O-N 3.28Å; L102-I105 PolarHBondContact O-N 2.99Å; L102-E106 WeakPolarHBondContact O-CB 3.29Å; L102-E106 PolarHBondContact O-N 2.98Å
103	D	86.4	Confident	81.2	Confident	40 Å²	40	89.3 Å²	89.3	21%	0.214	44%	0.441	C	S	.	.	H	α-helix	trans	-62.6	-38.9	176.1	-72.8	-23	0	0	0	111.7	A99 R100 E106 K107 I134	A99-D103 PolarHBondContact O-N 3.4Å; A99-D103 VanDerWaalsContact O-N 3.12Å; R100-D103 PolarHBondContact O-N 3.33Å; R100-D103 VanDerWaalsContact O-N 3.15Å; D103-E106 PolarHBondContact O-N 3.33Å; D103-K107 VanDerWaalsContact O-CG 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.34Å; D103-K107 PolarHBondContact O-N 3.06Å; D103-I134 HydrophobicContact CB-CG2 4.06Å
104	D	87.3	Confident	83	Confident	80 Å²	80	84.6 Å²	84.6	43%	0.428	42%	0.418	S	S	.	.	H	α-helix	trans	-68.4	-41.9	178.2	-67.9	-23.5	0	0	0	111.9	R100 K101 L102 E106 K107 E108	R100-D104 PolarHBondContact O-N 3.04Å; K101-D104 PolarHBondContact O-N 3.4Å; L102-D104 VanDerWaalsContact C-N 3.31Å; L102-D104 PolarHBondContact O-N 3.28Å; D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 2.75Å; D104-K107 WeakPolarHBondContact O-CB 3.47Å; D104-K107 PolarHBondContact O-N 2.66Å; D104-K107 IonicContact OD1-NZ 2.78Å; D104-K107 PolarHBondContact OD1-NZ 2.81Å; D104-E108 PolarHBondContact O-N 3.09Å
105	I	89.5	Confident	84.5	Confident	90 Å²	90	83.9 Å²	83.9	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-62.3	-42.4	172.6	-67.3	163.3	0	0	0	110.7	K101 L102 K107 E108 L109	K101-I105 WeakPolarHBondContact O-CB 3.18Å; K101-I105 WeakPolarHBondContact O-CD1 3.48Å; K101-I105 WeakPolarHBondContact O-CG1 3.27Å; K101-I105 PolarHBondContact O-N 2.91Å; L102-I105 PolarHBondContact O-N 2.99Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.12Å; I105-E108 PolarHBondContact O-N 3.38Å; I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.5Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 2.84Å
106	E	91.8	Very high	86.1	Confident	50 Å²	50	82.4 Å²	82.4	23%	0.234	41%	0.406	C	S	.	.	H	α-helix	trans	-62	-42.2	177.2	-169.3	177.4	177.8	0	0	110.9	L102 D103 D104 L109 L110 R130 I134	L102-E106 WeakPolarHBondContact O-CB 3.29Å; L102-E106 PolarHBondContact O-N 2.98Å; D103-E106 PolarHBondContact O-N 3.33Å; D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 2.75Å; E106-L109 PolarHBondContact O-N 3.36Å; E106-L110 HydrophobicContact CG-CD1 4.15Å; E106-L110 WeakPolarHBondContact O-CB 3.37Å; E106-L110 VanDerWaalsContact O-CG 3.26Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 2.75Å; E106-R130 IonicContact OE1-CZ 2.68Å; E106-R130 VanDerWaalsContact OE1-CZ 3.26Å; E106-R130 IonicContact OE1-NE 2.85Å; E106-R130 PolarHBondContact OE1-NE 2.79Å; E106-R130 IonicContact OE1-NH2 3.36Å; E106-R130 PolarHBondContact OE1-NH2 3.4Å; E106-R130 IonicContact OE2-NH2 3.26Å; E106-R130 PolarHBondContact OE2-NH2 3.44Å; E106-I134 HydrophobicContact CB-CD1 4.17Å; E106-I134 HydrophobicContact CG-CD1 3.6Å
107	K	92.1	Very high	87.6	Confident	41 Å²	41	72.9 Å²	72.9	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-59.3	-48.5	175.1	-73.4	168.6	-167.7	162.6	0	111.8	D103 D104 I105 L109 L110 F111 L131 I134 T138	D103-K107 VanDerWaalsContact O-CG 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.34Å; D103-K107 PolarHBondContact O-N 3.06Å; D104-K107 WeakPolarHBondContact O-CB 3.47Å; D104-K107 PolarHBondContact O-N 2.66Å; D104-K107 IonicContact OD1-NZ 2.78Å; D104-K107 PolarHBondContact OD1-NZ 2.81Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.12Å; K107-L109 VanDerWaalsContact C-N 3.34Å; K107-L109 PolarHBondContact O-N 3.44Å; K107-L110 PolarHBondContact O-N 3.15Å; K107-F111 HydrophobicContact CB-CE2 4.41Å; K107-F111 WeakPolarHBondContact O-CD2 3.48Å; K107-F111 PolarHBondContact O-N 2.97Å; K107-L131 HydrophobicContact CB-CD1 4.23Å; K107-L131 HydrophobicContact CG-CD1 4.02Å; K107-I134 HydrophobicContact CD-CG2 4.42Å; K107-I134 VanDerWaalsContact CE-CG2 3.49Å; K107-I134 HydrophobicContact CG-CG2 4.09Å; K107-T138 PolarHBondContact NZ-OG1 2.86Å
108	E	93.2	Very high	88.7	Confident	142 Å²	142	76 Å²	76	66%	0.664	38%	0.382	S	S	*	.	H	α-helix	trans	-59.2	-45.2	179.3	-73.5	-176.4	173.7	0	0	111.8	D104 I105 L110 F111 E112	D104-E108 PolarHBondContact O-N 3.09Å; I105-E108 PolarHBondContact O-N 3.38Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.4Å; E108-F111 PolarHBondContact O-N 2.74Å; E108-E112 PolarHBondContact O-N 2.62Å
109	L	93.5	Very high	89.8	Confident	99 Å²	99	78 Å²	78	52%	0.518	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.8	-71.9	170.7	0	0	0	112.3	I105 E106 K107 E112 A113	I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.5Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 2.84Å; E106-L109 PolarHBondContact O-N 3.36Å; K107-L109 VanDerWaalsContact C-N 3.34Å; K107-L109 PolarHBondContact O-N 3.44Å; L109-E112 PolarHBondContact O-N 2.72Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 2.8Å
110	L	93.6	Very high	90.7	Very high	16 Å²	16	82.8 Å²	82.8	8%	0.084	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-42.2	176.4	-73.2	170.8	0	0	0	111.6	E106 K107 E108 E112 A113 I114 Y127 R130 L131 I134	E106-L110 HydrophobicContact CG-CD1 4.15Å; E106-L110 WeakPolarHBondContact O-CB 3.37Å; E106-L110 VanDerWaalsContact O-CG 3.26Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 2.75Å; K107-L110 PolarHBondContact O-N 3.15Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.4Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 2.8Å; L110-A113 PolarHBondContact O-N 3.34Å; L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 WeakPolarHBondContact O-CD1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.41Å; L110-I114 PolarHBondContact O-N 3Å; L110-Y127 HydrophobicContact CD2-CD1 3.64Å; L110-Y127 HydrophobicContact CD2-CG 4.35Å; L110-R130 HydrophobicContact CD1-CB 4.17Å; L110-R130 HydrophobicContact CD1-CG 3.76Å; L110-R130 HydrophobicContact CD2-CB 4.3Å; L110-R130 HydrophobicContact CD2-CG 4.22Å; L110-L131 HydrophobicContact CB-CD1 4.21Å; L110-L131 HydrophobicContact CD1-CB 4.33Å; L110-L131 HydrophobicContact CD1-CD1 4.17Å; L110-I134 HydrophobicContact CD1-CD1 3.51Å
111	F	93.6	Very high	91.3	Very high	122 Å²	122	78.6 Å²	78.6	54%	0.535	42%	0.416	S	S	.	.	H	α-helix	trans	-60.2	-43.9	174.9	-79.2	-59.8	0	0	0	111.8	K107 E108 I114 A115 L131	K107-F111 HydrophobicContact CB-CE2 4.41Å; K107-F111 WeakPolarHBondContact O-CD2 3.48Å; K107-F111 PolarHBondContact O-N 2.97Å; E108-F111 PolarHBondContact O-N 2.74Å; F111-I114 PolarHBondContact O-N 3.33Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.47Å; F111-L131 HydrophobicContact CD1-CD2 4.25Å; F111-L131 HydrophobicContact CE1-CD2 3.63Å; F111-L131 HydrophobicContact CE2-CD1 4.21Å; F111-L131 HydrophobicContact CE2-CD2 4.5Å; F111-L131 HydrophobicContact CZ-CD1 4.26Å; F111-L131 HydrophobicContact CZ-CD2 3.78Å
112	E	94.1	Very high	91.6	Very high	94 Å²	94	79.4 Å²	79.4	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-65.9	-39.2	176.7	-159.1	-156.9	164.7	0	0	111.8	E108 L109 L110 A115 R116	E108-E112 PolarHBondContact O-N 2.62Å; L109-E112 PolarHBondContact O-N 2.72Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 2.8Å; E112-A115 PolarHBondContact O-N 3.22Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 VanDerWaalsContact O-CG 3.29Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.71Å; E112-R116 PolarHBondContact O-NE 2.91Å; E112-R116 IonicContact OE1-CZ 2.78Å; E112-R116 IonicContact OE1-NE 3.69Å; E112-R116 IonicContact OE1-NH1 2.83Å; E112-R116 PolarHBondContact OE1-NH1 3.36Å; E112-R116 IonicContact OE1-NH2 3.41Å; E112-R116 PolarHBondContact OE1-NH2 2.9Å; E112-R116 IonicContact OE2-CZ 3.1Å; E112-R116 IonicContact OE2-NH1 2.99Å; E112-R116 IonicContact OE2-NH2 3.4Å; E112-R116 PolarHBondContact OE2-NH2 2.88Å
113	A	92.6	Very high	91.9	Very high	19 Å²	19	80.3 Å²	80.3	16%	0.157	43%	0.427	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175	0	0	0	0	0	111.9	L109 L110 R116 G117 Y127	L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 2.8Å; L110-A113 PolarHBondContact O-N 3.34Å; A113-R116 PolarHBondContact O-N 2.95Å; A113-G117 PolarHBondContact O-N 3.24Å; A113-Y127 HydrophobicContact CB-CD1 4.28Å; A113-Y127 HydrophobicContact CB-CE1 4.22Å; A113-Y127 HydrophobicContact CB-CG 4.49Å
114	I	93.6	Very high	92.2	Very high	16 Å²	16	78.9 Å²	78.9	8%	0.082	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-47.3	175.9	-71	161	0	0	0	110.5	L110 F111 R116 G117 K118 V124 E128 L131	L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 WeakPolarHBondContact O-CD1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.41Å; L110-I114 PolarHBondContact O-N 3Å; F111-I114 PolarHBondContact O-N 3.33Å; I114-R116 PolarHBondContact O-N 2.88Å; I114-G117 PolarHBondContact O-N 3.28Å; I114-K118 HydrophobicContact CG2-CD 3.96Å; I114-K118 HydrophobicContact CG2-CG 4.49Å; I114-K118 WeakPolarHBondContact O-CB 2.97Å; I114-K118 WeakPolarHBondContact O-CG 3.22Å; I114-K118 PolarHBondContact O-N 2.95Å; I114-V124 HydrophobicContact CB-CG1 3.81Å; I114-V124 HydrophobicContact CG1-CG1 3.47Å; I114-V124 VanDerWaalsContact CG1-CG1 3.47Å; I114-V124 HydrophobicContact CG2-CG1 3.93Å; I114-E128 HydrophobicContact CD1-CG 4.2Å; I114-E128 HydrophobicContact CG1-CG 4.44Å; I114-L131 HydrophobicContact CD1-CD2 4.14Å
115	A	93.3	Very high	92.4	Very high	62 Å²	62	78.1 Å²	78.1	51%	0.512	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-45.6	178	0	0	0	0	0	111.6	F111 E112 A119	F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.47Å; E112-A115 PolarHBondContact O-N 3.22Å; A115-A119 WeakPolarHBondContact O-CB 3.47Å; A115-A119 PolarHBondContact O-N 3.34Å
116	R	94	Very high	92.4	Very high	118 Å²	118	81.2 Å²	81.2	45%	0.445	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-39.4	177.2	-73.2	-177.5	-70	-161.9	-5	112.8	E112 A113 I114 A119 K120	E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 VanDerWaalsContact O-CG 3.29Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.71Å; E112-R116 PolarHBondContact O-NE 2.91Å; E112-R116 IonicContact OE1-CZ 2.78Å; E112-R116 IonicContact OE1-NE 3.69Å; E112-R116 IonicContact OE1-NH1 2.83Å; E112-R116 PolarHBondContact OE1-NH1 3.36Å; E112-R116 IonicContact OE1-NH2 3.41Å; E112-R116 PolarHBondContact OE1-NH2 2.9Å; E112-R116 IonicContact OE2-CZ 3.1Å; E112-R116 IonicContact OE2-NH1 2.99Å; E112-R116 IonicContact OE2-NH2 3.4Å; E112-R116 PolarHBondContact OE2-NH2 2.88Å; A113-R116 PolarHBondContact O-N 2.95Å; I114-R116 PolarHBondContact O-N 2.88Å; R116-A119 PolarHBondContact O-N 2.89Å; R116-K120 WeakPolarHBondContact O-CG 3.36Å; R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å
117	G	92.4	Very high	92.4	Very high	4 Å²	4	83.6 Å²	83.6	4%	0.041	44%	0.441	C	S	.	.	H	α-helix	trans	-65.5	-46.1	177.8	0	0	0	0	0	111.8	A113 I114 A119 K120 G121 Q122	A113-G117 PolarHBondContact O-N 3.24Å; I114-G117 PolarHBondContact O-N 3.28Å; G117-A119 VanDerWaalsContact C-N 3.35Å; G117-A119 PolarHBondContact O-N 3.46Å; G117-K120 CarbonylContact O-C 3.51Å; G117-K120 PolarHBondContact O-N 3.28Å; G117-K120 VanDerWaalsContact O-N 3.12Å; G117-G121 PolarHBondContact O-N 2.72Å; G117-Q122 PolarHBondContact O-N 2.7Å
118	K	92.7	Very high	92.4	Very high	124 Å²	124	85.9 Å²	85.9	54%	0.539	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-41	175.2	-73	-178.9	178.8	172.4	0	111.8	I114 K120 G121 V124 E128	I114-K118 HydrophobicContact CG2-CD 3.96Å; I114-K118 HydrophobicContact CG2-CG 4.49Å; I114-K118 WeakPolarHBondContact O-CB 2.97Å; I114-K118 WeakPolarHBondContact O-CG 3.22Å; I114-K118 PolarHBondContact O-N 2.95Å; K118-K120 VanDerWaalsContact C-N 3.27Å; K118-K120 PolarHBondContact O-N 3.23Å; K118-G121 PolarHBondContact O-N 2.82Å; K118-V124 HydrophobicContact CG-CG2 3.98Å; K118-E128 WeakPolarHBondContact CE-OE1 3.5Å; K118-E128 IonicContact NZ-OE1 3.64Å; K118-E128 PolarHBondContact NZ-OE1 2.94Å
119	A	93.9	Very high	92.4	Very high	91 Å²	91	87.6 Å²	87.6	75%	0.752	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-29.9	175.4	0	0	0	0	0	113.4	A115 R116 G117	A115-A119 WeakPolarHBondContact O-CB 3.47Å; A115-A119 PolarHBondContact O-N 3.34Å; R116-A119 PolarHBondContact O-N 2.89Å; G117-A119 VanDerWaalsContact C-N 3.35Å; G117-A119 PolarHBondContact O-N 3.46Å
120	K	93.6	Very high	92.3	Very high	156 Å²	156	87.4 Å²	87.4	68%	0.678	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.5	178.9	-68.8	178.3	-178.1	-179.9	0	114	R116 G117 K118 Q122	R116-K120 WeakPolarHBondContact O-CG 3.36Å; R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å; G117-K120 CarbonylContact O-C 3.51Å; G117-K120 PolarHBondContact O-N 3.28Å; G117-K120 VanDerWaalsContact O-N 3.12Å; K118-K120 VanDerWaalsContact C-N 3.27Å; K118-K120 PolarHBondContact O-N 3.23Å; K120-Q122 HydrophobicContact CB-CG 4.09Å; K120-Q122 PolarHBondContact O-N 3Å
121	G	89.1	Confident	92.2	Very high	72 Å²	72	88.3 Å²	88.3	74%	0.742	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25.4	-175.6	0	0	0	0	0	114	G117 K118	G117-G121 PolarHBondContact O-N 2.72Å; K118-G121 PolarHBondContact O-N 2.82Å
122	Q	89.3	Confident	92.1	Very high	121 Å²	121	87.1 Å²	87.1	57%	0.565	45%	0.445	S	S	*	.			trans	-83.3	154.4	175.7	-67	-177.8	-36.1	0	0	110.2	G117 K120 V124	G117-Q122 PolarHBondContact O-N 2.7Å; K120-Q122 HydrophobicContact CB-CG 4.09Å; K120-Q122 PolarHBondContact O-N 3Å; Q122-V124 WeakPolarHBondContact O-CG2 3.22Å; Q122-V124 PolarHBondContact O-N 3.11Å
123	D	90.4	Very high	92	Very high	130 Å²	130	85.9 Å²	85.9	70%	0.695	44%	0.442	S	S	*	.			trans	-67.1	132.6	170.7	-174.6	18.9	0	0	0	109.9	S125	D123-S125 VanDerWaalsContact CG-OG 3.3Å; D123-S125 VanDerWaalsContact OD1-CB 3.31Å; D123-S125 WeakPolarHBondContact OD1-CB 3.49Å; D123-S125 PolarHBondContact OD1-N 2.87Å; D123-S125 PolarHBondContact OD1-OG 2.83Å; D123-S125 PolarHBondContact OD2-OG 3.41Å
124	V	91.7	Very high	91.7	Very high	9 Å²	9	85 Å²	85	6%	0.055	44%	0.435	C	S	.	.			trans	-118.6	2.9	-173.9	-160.3	0	0	0	0	111.2	I114 K118 Q122 E126 Y127 E128	I114-V124 HydrophobicContact CB-CG1 3.81Å; I114-V124 HydrophobicContact CG1-CG1 3.47Å; I114-V124 VanDerWaalsContact CG1-CG1 3.47Å; I114-V124 HydrophobicContact CG2-CG1 3.93Å; K118-V124 HydrophobicContact CG-CG2 3.98Å; Q122-V124 WeakPolarHBondContact O-CG2 3.22Å; Q122-V124 PolarHBondContact O-N 3.11Å; V124-E126 PolarHBondContact O-N 3.46Å; V124-E126 VanDerWaalsContact O-N 3.15Å; V124-Y127 HydrophobicContact CG1-CD2 3.84Å; V124-Y127 HydrophobicContact CG1-CG 4.44Å; V124-Y127 PolarHBondContact O-N 2.82Å; V124-Y127 VanDerWaalsContact O-N 3.07Å; V124-E128 HydrophobicContact CG1-CG 4.49Å; V124-E128 PolarHBondContact O-N 2.75Å; V124-E128 VanDerWaalsContact O-N 3.08Å
125	S	91.6	Very high	91.4	Very high	64 Å²	64	87.5 Å²	87.5	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-53.2	-38	-177	63.8	0	0	0	0	113.4	D123 R129	D123-S125 VanDerWaalsContact CG-OG 3.3Å; D123-S125 VanDerWaalsContact OD1-CB 3.31Å; D123-S125 WeakPolarHBondContact OD1-CB 3.49Å; D123-S125 PolarHBondContact OD1-N 2.87Å; D123-S125 PolarHBondContact OD1-OG 2.83Å; D123-S125 PolarHBondContact OD2-OG 3.41Å; S125-R129 WeakPolarHBondContact O-CB 3.38Å; S125-R129 PolarHBondContact O-N 3.25Å
126	E	91.2	Very high	91.2	Very high	155 Å²	155	91.3 Å²	91.3	72%	0.724	46%	0.458	S	S	*	.	H	α-helix	trans	-66.8	-43.7	178.7	-171.5	176.7	-179.5	0	0	112.5	V124 R129 R130	V124-E126 PolarHBondContact O-N 3.46Å; V124-E126 VanDerWaalsContact O-N 3.15Å; E126-R129 PolarHBondContact O-N 2.91Å; E126-R130 WeakPolarHBondContact O-CB 3.32Å; E126-R130 PolarHBondContact O-N 3.47Å
127	Y	91.4	Very high	90.5	Very high	101 Å²	101	94.3 Å²	94.3	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-68.4	-39	179.3	-59.7	-65.8	0	0	0	111.6	L110 A113 V124 R130 L131	L110-Y127 HydrophobicContact CD2-CD1 3.64Å; L110-Y127 HydrophobicContact CD2-CG 4.35Å; A113-Y127 HydrophobicContact CB-CD1 4.28Å; A113-Y127 HydrophobicContact CB-CE1 4.22Å; A113-Y127 HydrophobicContact CB-CG 4.49Å; V124-Y127 HydrophobicContact CG1-CD2 3.84Å; V124-Y127 HydrophobicContact CG1-CG 4.44Å; V124-Y127 PolarHBondContact O-N 2.82Å; V124-Y127 VanDerWaalsContact O-N 3.07Å; Y127-R130 PolarHBondContact O-N 3.48Å; Y127-L131 WeakPolarHBondContact O-CB 3.4Å; Y127-L131 PolarHBondContact O-N 2.96Å
128	E	91.9	Very high	89.3	Confident	89 Å²	89	100 Å²	100	42%	0.416	50%	0.504	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.5	-68.6	-177.5	166.1	0	0	111.2	I114 K118 V124 R130 L131 E132	I114-E128 HydrophobicContact CD1-CG 4.2Å; I114-E128 HydrophobicContact CG1-CG 4.44Å; K118-E128 WeakPolarHBondContact CE-OE1 3.5Å; K118-E128 IonicContact NZ-OE1 3.64Å; K118-E128 PolarHBondContact NZ-OE1 2.94Å; V124-E128 HydrophobicContact CG1-CG 4.49Å; V124-E128 PolarHBondContact O-N 2.75Å; V124-E128 VanDerWaalsContact O-N 3.08Å; E128-R130 VanDerWaalsContact C-N 3.32Å; E128-R130 PolarHBondContact O-N 3.49Å; E128-L131 PolarHBondContact O-N 3.02Å; E128-E132 PolarHBondContact O-N 3.38Å
129	R	93.2	Very high	89.2	Confident	178 Å²	178	98.8 Å²	98.8	67%	0.672	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-38.1	174.3	-171	179.4	-177	-175.4	1.3	112.2	S125 E126 N133	S125-R129 WeakPolarHBondContact O-CB 3.38Å; S125-R129 PolarHBondContact O-N 3.25Å; E126-R129 PolarHBondContact O-N 2.91Å; R129-N133 VanDerWaalsContact O-CG 3.32Å; R129-N133 PolarHBondContact O-N 3.35Å; R129-N133 VanDerWaalsContact O-N 3.15Å; R129-N133 PolarHBondContact O-ND2 3.04Å; R129-N133 VanDerWaalsContact O-ND2 3.12Å
130	R	90.5	Very high	88.9	Confident	95 Å²	95	99.2 Å²	99.2	36%	0.358	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-42.6	176.6	-174.9	64	-178.6	170.8	6.3	111.2	E106 L110 E126 Y127 E128 E132 N133 I134	E106-R130 IonicContact OE1-CZ 2.68Å; E106-R130 VanDerWaalsContact OE1-CZ 3.26Å; E106-R130 IonicContact OE1-NE 2.85Å; E106-R130 PolarHBondContact OE1-NE 2.79Å; E106-R130 IonicContact OE1-NH2 3.36Å; E106-R130 PolarHBondContact OE1-NH2 3.4Å; E106-R130 IonicContact OE2-NH2 3.26Å; E106-R130 PolarHBondContact OE2-NH2 3.44Å; L110-R130 HydrophobicContact CD1-CB 4.17Å; L110-R130 HydrophobicContact CD1-CG 3.76Å; L110-R130 HydrophobicContact CD2-CB 4.3Å; L110-R130 HydrophobicContact CD2-CG 4.22Å; E126-R130 WeakPolarHBondContact O-CB 3.32Å; E126-R130 PolarHBondContact O-N 3.47Å; Y127-R130 PolarHBondContact O-N 3.48Å; E128-R130 VanDerWaalsContact C-N 3.32Å; E128-R130 PolarHBondContact O-N 3.49Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-E132 PolarHBondContact O-N 2.85Å; R130-N133 WeakPolarHBondContact O-CB 3.29Å; R130-N133 PolarHBondContact O-N 3.08Å; R130-N133 VanDerWaalsContact O-N 3.17Å; R130-I134 HydrophobicContact CG-CD1 4.24Å; R130-I134 WeakPolarHBondContact O-CG1 3.31Å; R130-I134 PolarHBondContact O-N 2.99Å; R130-I134 VanDerWaalsContact O-N 3.1Å
131	L	91.6	Very high	88.7	Confident	34 Å²	34	96.1 Å²	96.1	18%	0.178	48%	0.478	C	S	.	.	H	α-helix	trans	-61	-42.1	177.4	-168.7	69.1	0	0	0	111.6	K107 L110 F111 I114 Y127 E128 N133 I134 S135	K107-L131 HydrophobicContact CB-CD1 4.23Å; K107-L131 HydrophobicContact CG-CD1 4.02Å; L110-L131 HydrophobicContact CB-CD1 4.21Å; L110-L131 HydrophobicContact CD1-CB 4.33Å; L110-L131 HydrophobicContact CD1-CD1 4.17Å; F111-L131 HydrophobicContact CD1-CD2 4.25Å; F111-L131 HydrophobicContact CE1-CD2 3.63Å; F111-L131 HydrophobicContact CE2-CD1 4.21Å; F111-L131 HydrophobicContact CE2-CD2 4.5Å; F111-L131 HydrophobicContact CZ-CD1 4.26Å; F111-L131 HydrophobicContact CZ-CD2 3.78Å; I114-L131 HydrophobicContact CD1-CD2 4.14Å; Y127-L131 WeakPolarHBondContact O-CB 3.4Å; Y127-L131 PolarHBondContact O-N 2.96Å; E128-L131 PolarHBondContact O-N 3.02Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.38Å; L131-I134 PolarHBondContact O-N 3.32Å; L131-S135 PolarHBondContact O-N 2.9Å
132	E	92	Very high	88.6	Confident	98 Å²	98	97.5 Å²	97.5	46%	0.458	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-36.3	175.6	-164.8	-167.8	166.3	0	0	112.5	E128 R130 S135 K136	E128-E132 PolarHBondContact O-N 3.38Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-E132 PolarHBondContact O-N 2.85Å; E132-S135 WeakPolarHBondContact CA-OG 3.43Å; E132-S135 PolarHBondContact O-OG 2.83Å; E132-K136 WeakPolarHBondContact O-CG 3.49Å; E132-K136 PolarHBondContact O-N 3.15Å; E132-K136 VanDerWaalsContact OE1-CE 3.27Å; E132-K136 WeakPolarHBondContact OE1-CE 3.38Å; E132-K136 IonicContact OE1-NZ 3.6Å; E132-K136 PolarHBondContact OE1-NZ 3.4Å
133	N	91.3	Very high	88.6	Confident	67 Å²	67	96 Å²	96	36%	0.358	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-36.7	176.9	-73.6	-36.2	0	0	0	112.4	R129 R130 L131 R137	R129-N133 VanDerWaalsContact O-CG 3.32Å; R129-N133 PolarHBondContact O-N 3.35Å; R129-N133 VanDerWaalsContact O-N 3.15Å; R129-N133 PolarHBondContact O-ND2 3.04Å; R129-N133 VanDerWaalsContact O-ND2 3.12Å; R130-N133 WeakPolarHBondContact O-CB 3.29Å; R130-N133 PolarHBondContact O-N 3.08Å; R130-N133 VanDerWaalsContact O-N 3.17Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.38Å; N133-R137 WeakPolarHBondContact O-CG 3.37Å
134	I	87.6	Confident	88.5	Confident	2 Å²	2	93.7 Å²	93.7	1%	0.01	44%	0.44	C	S	.	.	H	α-helix	trans	-71.4	-42.2	177.1	-59.8	163.4	0	0	0	109.6	D103 E106 K107 L110 R130 L131 K136 R137 T138	D103-I134 HydrophobicContact CB-CG2 4.06Å; E106-I134 HydrophobicContact CB-CD1 4.17Å; E106-I134 HydrophobicContact CG-CD1 3.6Å; K107-I134 HydrophobicContact CD-CG2 4.42Å; K107-I134 VanDerWaalsContact CE-CG2 3.49Å; K107-I134 HydrophobicContact CG-CG2 4.09Å; L110-I134 HydrophobicContact CD1-CD1 3.51Å; R130-I134 HydrophobicContact CG-CD1 4.24Å; R130-I134 WeakPolarHBondContact O-CG1 3.31Å; R130-I134 PolarHBondContact O-N 2.99Å; R130-I134 VanDerWaalsContact O-N 3.1Å; L131-I134 PolarHBondContact O-N 3.32Å; I134-K136 PolarHBondContact O-N 3.21Å; I134-R137 PolarHBondContact O-N 2.89Å; I134-T138 PolarHBondContact O-N 3.01Å; I134-T138 PolarHBondContact O-OG1 3.45Å
135	S	87.1	Confident	88.3	Confident	67 Å²	67	99.8 Å²	99.8	47%	0.469	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-22.1	178.5	71.3	0	0	0	0	114	L131 E132	L131-S135 PolarHBondContact O-N 2.9Å; E132-S135 WeakPolarHBondContact CA-OG 3.43Å; E132-S135 PolarHBondContact O-OG 2.83Å
136	K	88.6	Confident	88	Confident	142 Å²	142	102.5 Å²	102.5	62%	0.617	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.5	173.7	-74.9	175.5	-175.5	167.2	0	113.6	E132 I134	E132-K136 WeakPolarHBondContact O-CG 3.49Å; E132-K136 PolarHBondContact O-N 3.15Å; E132-K136 VanDerWaalsContact OE1-CE 3.27Å; E132-K136 WeakPolarHBondContact OE1-CE 3.38Å; E132-K136 IonicContact OE1-NZ 3.6Å; E132-K136 PolarHBondContact OE1-NZ 3.4Å; I134-K136 PolarHBondContact O-N 3.21Å
137	R	79.5	Confident	87.7	Confident	181 Å²	181	98.2 Å²	98.2	68%	0.683	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-32.7	-178.9	-72.9	176.1	179.6	-165.2	-2.2	113	N133 I134	N133-R137 WeakPolarHBondContact O-CG 3.37Å; I134-R137 PolarHBondContact O-N 2.89Å
138	T	68	Low	87.4	Confident	124 Å²	124	97.9 Å²	97.9	76%	0.761	45%	0.453	S	S	*	.			trans	-76.3	0	172.7	-42.8	0	0	0	0	110.2	K107 I134	K107-T138 PolarHBondContact NZ-OG1 2.86Å; I134-T138 PolarHBondContact O-N 3.01Å; I134-T138 PolarHBondContact O-OG1 3.45Å

Retrieved 138 of 138 residues in 188 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).