A0A077ZJD0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 aa.

						>A0A077ZJD0_TRITR|A0A077ZJD0
MRRAGFVRDEEDHVELRPDSPTPEVEIEGVNFEDFVSMDDELATSTEPDPQTIFQSILAEAGLSPEDDVEEESENETEVVQKLKEEDVGRVLAQLKCFAAEKCPKMLSAVAIAETALGAYVCSKKKHQTRIDTFFSKQCSP
					

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	38.9	Very low	46.1	Very low	248 Å²	248	177 Å²	177	100%	1.222	86%	0.864	S	S	*	*				0	112	0	-73	-178.6	-164.3	0	0	109
2	R	49.4	Very low	46.4	Very low	257 Å²	257	173.8 Å²	173.8	97%	0.97	85%	0.854	S	S	*	*			trans	-125.3	106.1	164.2	-89.3	-176	180	135.4	-0.3	106.1
3	R	46.8	Very low	46.8	Very low	252 Å²	252	173.2 Å²	173.2	95%	0.951	85%	0.847	S	S	*	*			trans	-86.6	112.8	179	-164.6	175.1	-163.4	168.1	3.5	107	G5	R3-G5 PolarHBondContact O-N 2.72Å
4	A	46.6	Very low	47.1	Very low	98 Å²	98	168.4 Å²	168.4	81%	0.81	83%	0.833	S	S	*	*			trans	-64.5	119.5	172.7	0	0	0	0	0	108.9	F6	A4-F6 PolarHBondContact O-N 3.23Å
5	G	42.1	Very low	47.2	Very low	74 Å²	74	169.6 Å²	169.6	76%	0.763	84%	0.835	S	S	*	*			trans	-76.5	117.7	174	0	0	0	0	0	109.4	R3 V7	R3-G5 PolarHBondContact O-N 2.72Å; G5-V7 PolarHBondContact O-N 3.22Å
6	F	42.6	Very low	47.5	Very low	187 Å²	187	168.9 Å²	168.9	82%	0.82	84%	0.835	S	S	*	*			trans	-80.5	103.2	175.4	-158.1	-98.9	0	0	0	107.3	A4 R8	A4-F6 PolarHBondContact O-N 3.23Å; F6-R8 HydrophobicContact CD1-CG 4.15Å; F6-R8 PolarHBondContact O-N 3.28Å
7	V	51.5	Low	47.2	Very low	137 Å²	137	172.5 Å²	172.5	83%	0.83	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.8	117.3	171	163.9	0	0	0	0	107	G5	G5-V7 PolarHBondContact O-N 3.22Å
8	R	48.2	Very low	47.2	Very low	218 Å²	218	169.6 Å²	169.6	82%	0.823	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-88.5	118.9	170	-74.8	-176.2	151.5	-141.7	-7.1	107.6	F6	F6-R8 HydrophobicContact CD1-CG 4.15Å; F6-R8 PolarHBondContact O-N 3.28Å
9	D	49.6	Very low	47.2	Very low	136 Å²	136	169 Å²	169	73%	0.727	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-70.8	117.2	168.3	-162.1	53.3	0	0	0	107.1
10	E	44.8	Very low	47	Very low	192 Å²	192	165.1 Å²	165.1	90%	0.897	82%	0.824	S	S	*	*			trans	-97.2	93.5	176	-165.3	162.5	96.9	0	0	106.1	D12	E10-D12 PolarHBondContact O-N 3.45Å; E10-D12 VanDerWaalsContact O-N 3.15Å
11	E	46.4	Very low	47.1	Very low	148 Å²	148	163.5 Å²	163.5	69%	0.692	83%	0.826	S	S	*	*			trans	-63.4	107.3	173.9	-77.8	173	87.7	0	0	109.2	H13	E11-H13 PolarHBondContact O-CD2 3.2Å; E11-H13 PolarHBondContact O-N 2.81Å
12	D	49.9	Very low	47.2	Very low	138 Å²	138	157.7 Å²	157.7	74%	0.738	81%	0.805	S	S	*	*			trans	-67.2	97.6	174.3	-172.6	37.8	0	0	0	109.6	E10 V14	E10-D12 PolarHBondContact O-N 3.45Å; E10-D12 VanDerWaalsContact O-N 3.15Å; D12-V14 VanDerWaalsContact C-N 3.27Å; D12-V14 PolarHBondContact O-N 3Å
13	H	51.3	Low	47.1	Very low	167 Å²	167	151.1 Å²	151.1	77%	0.773	80%	0.795	S	S	*	*			trans	-71.7	80.9	172.7	-74.7	-80	0	0	0	110.1	E11 E15	E11-H13 PolarHBondContact O-CD2 3.2Å; E11-H13 PolarHBondContact O-N 2.81Å; H13-E15 VanDerWaalsContact C-N 3.31Å; H13-E15 PolarHBondContact O-N 2.8Å
14	V	51.3	Low	47.1	Very low	106 Å²	106	148 Å²	148	64%	0.642	79%	0.791	S	S	*	*			trans	-68.4	90.5	163.3	-89.4	0	0	0	0	109.2	D12 L16	D12-V14 VanDerWaalsContact C-N 3.27Å; D12-V14 PolarHBondContact O-N 3Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.27Å
15	E	48.6	Very low	47.5	Very low	186 Å²	186	149.3 Å²	149.3	87%	0.869	79%	0.789	S	S	*	*			trans	-63.7	93.4	165.4	-73	-174.1	158.5	0	0	108.8	H13 R17	H13-E15 VanDerWaalsContact C-N 3.31Å; H13-E15 PolarHBondContact O-N 2.8Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.22Å
16	L	52.4	Low	47.5	Very low	158 Å²	158	154.5 Å²	154.5	83%	0.827	79%	0.793	S	S	*	*			trans	-65.5	90.1	171.4	-67.9	172.4	0	0	0	108.7	V14 P18	V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.27Å; L16-P18 WeakPolarHBondContact O-CD 3.29Å
17	R	41.3	Very low	48.2	Very low	230 Å²	230	152.2 Å²	152.2	87%	0.868	79%	0.788	S	S	*	*			trans	-64.8	123.6	171	-158.4	178.3	177.8	173.6	-0.8	107.7	E15 D19	E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.22Å; R17-D19 PolarHBondContact O-N 3.23Å
18	P	48.6	Very low	48.3	Very low	120 Å²	120	154.5 Å²	154.5	78%	0.779	79%	0.79	S	S	*	*			trans	-70	104.3	-178.5	26.2	-31.4	0	0	0	108.7	L16	L16-P18 WeakPolarHBondContact O-CD 3.29Å
19	D	47.4	Very low	48.4	Very low	159 Å²	159	147.1 Å²	147.1	85%	0.85	78%	0.782	S	S	*	*			trans	-60.1	137.3	167.3	-106.8	-46.6	0	0	0	109	R17	R17-D19 PolarHBondContact O-N 3.23Å
20	S	42.4	Very low	48.5	Very low	91 Å²	91	145.6 Å²	145.6	64%	0.636	78%	0.777	S	S	*	*			trans	-36.7	148.9	-170.4	50.7	0	0	0	0	116.9	T22	S20-T22 PolarHBondContact O-N 3.26Å; S20-T22 VanDerWaalsContact O-N 3.13Å
21	P	48.4	Very low	49.1	Very low	131 Å²	131	141.2 Å²	141.2	85%	0.851	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.6	-175.2	27.1	-32.4	0	0	0	110.4
22	T	42.1	Very low	49.7	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.9	144.6	171.1	26.4	0	0	0	0	109.9	S20	S20-T22 PolarHBondContact O-N 3.26Å; S20-T22 VanDerWaalsContact O-N 3.13Å
23	P	46.9	Very low	50.1	Low	118 Å²	118	141.5 Å²	141.5	77%	0.766	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.7	141.4	-162.5	28.6	-33	0	0	0	110.2	V25	P23-V25 VanDerWaalsContact C-N 3.34Å; P23-V25 PolarHBondContact O-N 3.38Å
24	E	46.4	Very low	50.4	Low	188 Å²	188	138.7 Å²	138.7	88%	0.879	75%	0.745	S	S	*	*			trans	-52.2	97	173.2	-44.6	-170.1	140.6	0	0	107.5	E26	E24-E26 VanDerWaalsContact C-N 3.27Å; E24-E26 PolarHBondContact O-N 3.17Å
25	V	56.2	Low	50.6	Low	125 Å²	125	141.4 Å²	141.4	76%	0.758	75%	0.749	S	S	*	*			trans	-68.6	100	170.4	97.4	0	0	0	0	103.9	P23 I27	P23-V25 VanDerWaalsContact C-N 3.34Å; P23-V25 PolarHBondContact O-N 3.38Å; V25-I27 VanDerWaalsContact C-N 3.31Å; V25-I27 HydrophobicContact CG1-CG1 4.24Å; V25-I27 PolarHBondContact O-N 3.25Å
26	E	42.2	Very low	51	Low	182 Å²	182	137.9 Å²	137.9	85%	0.85	74%	0.74	S	S	*	*			trans	-56.9	105.6	165.6	-68.4	-177.7	133	0	0	104.9	E24 E28	E24-E26 VanDerWaalsContact C-N 3.27Å; E24-E26 PolarHBondContact O-N 3.17Å; E26-E28 PolarHBondContact O-N 3.37Å
27	I	55.9	Low	51.2	Low	139 Å²	139	133.6 Å²	133.6	71%	0.713	72%	0.723	S	S	*	*			trans	-64.4	95.3	178	-59.9	167.1	0	0	0	104.8	V25 G29	V25-I27 VanDerWaalsContact C-N 3.31Å; V25-I27 HydrophobicContact CG1-CG1 4.24Å; V25-I27 PolarHBondContact O-N 3.25Å; I27-G29 PolarHBondContact O-N 3.44Å
28	E	54.3	Low	51.9	Low	185 Å²	185	128.7 Å²	128.7	86%	0.864	71%	0.712	S	S	*	*			trans	-51.6	117.4	172.8	-169.4	167.4	-169.7	0	0	106.5	E26 V30	E26-E28 PolarHBondContact O-N 3.37Å; E28-V30 PolarHBondContact O-N 3.2Å; E28-V30 VanDerWaalsContact O-N 3.1Å
29	G	49.5	Very low	52.1	Low	64 Å²	64	128.7 Å²	128.7	66%	0.66	71%	0.705	S	S	*	*			trans	-50.3	120.7	-165.8	0	0	0	0	0	110.7	I27 N31	I27-G29 PolarHBondContact O-N 3.44Å; G29-N31 PolarHBondContact O-N 3.06Å
30	V	53.1	Low	52.4	Low	104 Å²	104	128 Å²	128	63%	0.63	70%	0.701	S	S	*	*			trans	-57.4	107.7	173.3	179.4	0	0	0	0	106.9	E28 F32	E28-V30 PolarHBondContact O-N 3.2Å; E28-V30 VanDerWaalsContact O-N 3.1Å; V30-F32 WeakPolarHBondContact O-CD2 3.21Å; V30-F32 PolarHBondContact O-N 3.44Å
31	N	55.7	Low	53	Low	99 Å²	99	132.9 Å²	132.9	53%	0.529	71%	0.714	S	S	.	*			trans	-71.6	110.3	175.9	-177.9	-36.7	0	0	0	107.3	G29 E33 D34	G29-N31 PolarHBondContact O-N 3.06Å; N31-E33 PolarHBondContact O-N 3.34Å; N31-E33 VanDerWaalsContact OD1-CB 3.26Å; N31-E33 WeakPolarHBondContact OD1-CB 3.39Å; N31-E33 PolarHBondContact OD1-N 3.34Å; N31-E33 PolarHBondContact OD1-OE2 2.99Å; N31-D34 PolarHBondContact O-N 3.44Å
32	F	60	Low	53.2	Low	155 Å²	155	133 Å²	133	68%	0.68	71%	0.706	S	S	*	*	H	α-helix	trans	-70.5	-20.5	-175.9	-71.6	-86	0	0	0	112.3	V30 D34 F35	V30-F32 WeakPolarHBondContact O-CD2 3.21Å; V30-F32 PolarHBondContact O-N 3.44Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 3.25Å; F32-F35 PolarHBondContact O-N 3.46Å
33	E	58.8	Low	53.5	Low	138 Å²	138	131.2 Å²	131.2	65%	0.645	71%	0.705	S	S	*	*	H	α-helix	trans	-65.8	-32.9	176.6	-68.7	67.6	-156.6	0	0	112	N31 F35 V36 S37	N31-E33 PolarHBondContact O-N 3.34Å; N31-E33 VanDerWaalsContact OD1-CB 3.26Å; N31-E33 WeakPolarHBondContact OD1-CB 3.39Å; N31-E33 PolarHBondContact OD1-N 3.34Å; N31-E33 PolarHBondContact OD1-OE2 2.99Å; E33-F35 VanDerWaalsContact C-N 3.26Å; E33-F35 PolarHBondContact O-N 3.42Å; E33-V36 PolarHBondContact O-N 3Å; E33-S37 PolarHBondContact O-N 3.32Å; E33-S37 VanDerWaalsContact O-N 3.17Å; E33-S37 PolarHBondContact O-OG 3.49Å
34	D	57.7	Low	53.6	Low	108 Å²	108	132.1 Å²	132.1	58%	0.578	71%	0.709	S	S	*	*	H	α-helix	trans	-69.2	-25.8	178.7	-149.6	37.8	0	0	0	112.2	N31 F32 S37	N31-D34 PolarHBondContact O-N 3.44Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 3.25Å; D34-S37 PolarHBondContact O-OG 3.41Å
35	F	54.2	Low	53.8	Low	162 Å²	162	127.6 Å²	127.6	71%	0.711	70%	0.697	S	S	*	*	H	α-helix	trans	-74.6	-30	175.3	-163.2	-96.6	0	0	0	112.3	F32 E33 M38	F32-F35 PolarHBondContact O-N 3.46Å; E33-F35 VanDerWaalsContact C-N 3.26Å; E33-F35 PolarHBondContact O-N 3.42Å; F35-M38 HydrophobicContact CD2-CE 4.22Å
36	V	56.8	Low	53.9	Low	112 Å²	112	128 Å²	128	68%	0.679	70%	0.701	S	S	*	*	H	α-helix	trans	-81.6	-31.9	179.1	-176.5	0	0	0	0	111.1	E33 M38	E33-V36 PolarHBondContact O-N 3Å; V36-M38 VanDerWaalsContact C-N 3.33Å; V36-M38 PolarHBondContact O-N 2.9Å
37	S	57.4	Low	54.7	Low	68 Å²	68	126.3 Å²	126.3	48%	0.476	69%	0.693	S	S	.	*	H	α-helix	trans	-76.3	-14.2	179.7	53.8	0	0	0	0	115	E33 D34 D39	E33-S37 PolarHBondContact O-N 3.32Å; E33-S37 VanDerWaalsContact O-N 3.17Å; E33-S37 PolarHBondContact O-OG 3.49Å; D34-S37 PolarHBondContact O-OG 3.41Å; S37-D39 PolarHBondContact O-N 2.9Å
38	M	56.1	Low	55	Low	128 Å²	128	123.2 Å²	123.2	63%	0.631	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-3.1	175.2	-76.9	-172.1	-74.5	0	0	113.7	F35 V36	F35-M38 HydrophobicContact CD2-CE 4.22Å; V36-M38 VanDerWaalsContact C-N 3.33Å; V36-M38 PolarHBondContact O-N 2.9Å
39	D	53.5	Low	55.8	Low	119 Å²	119	118.3 Å²	118.3	64%	0.636	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-14.5	-179.1	-157.8	45.2	0	0	0	113.9	S37 E41	S37-D39 PolarHBondContact O-N 2.9Å; D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.39Å
40	D	53.4	Low	57	Low	145 Å²	145	119.6 Å²	119.6	78%	0.775	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-72.2	-12.9	-175.3	-95.8	-27.9	0	0	0	114.4
41	E	54.2	Low	58	Low	193 Å²	193	120.8 Å²	120.8	90%	0.902	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-94.5	1.9	-178.6	-110.2	-174.5	158.9	0	0	115	D39	D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.39Å
42	L	53.9	Low	59.2	Low	133 Å²	133	119.5 Å²	119.5	70%	0.696	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-96.8	23.3	173.7	-69.6	175.5	0	0	0	113.8	T44 S45	L42-T44 PolarHBondContact O-N 3Å; L42-S45 PolarHBondContact O-N 2.9Å
43	A	48.2	Very low	60.1	Low	90 Å²	90	115.4 Å²	115.4	74%	0.744	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	28	-177.8	0	0	0	0	0	116.8
44	T	48.1	Very low	61.1	Low	138 Å²	138	115.3 Å²	115.3	85%	0.847	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	13.9	171.2	68	0	0	0	0	115.2	L42 T46	L42-T44 PolarHBondContact O-N 3Å; T44-T46 PolarHBondContact O-N 3.37Å
45	S	51.5	Low	62.1	Low	92 Å²	92	116 Å²	116	64%	0.643	64%	0.635	S	S	*	*			trans	-75.7	106.7	158.9	-172.7	0	0	0	0	106.4	L42 E47	L42-S45 PolarHBondContact O-N 2.9Å; S45-E47 PolarHBondContact O-N 3.2Å
46	T	57.5	Low	63.3	Low	135 Å²	135	111.7 Å²	111.7	83%	0.828	63%	0.625	S	S	*	*			trans	-62.6	79.1	157.2	-66	0	0	0	0	105.9	T44 P48	T44-T46 PolarHBondContact O-N 3.37Å; T46-P48 VanDerWaalsContact O-CD 3.29Å; T46-P48 WeakPolarHBondContact O-CD 3.2Å
47	E	59.5	Low	64.5	Low	145 Å²	145	111 Å²	111	68%	0.678	62%	0.616	S	S	*	*			trans	-63.5	115.6	170.3	-164.1	171.8	158.7	0	0	104.7	S45 D49	S45-E47 PolarHBondContact O-N 3.2Å; E47-D49 PolarHBondContact O-N 3.01Å
48	P	61.5	Low	65.4	Low	74 Å²	74	110.3 Å²	110.3	48%	0.481	61%	0.607	S	S	.	*			trans	-56.7	131.4	177.7	21.1	-27.7	0	0	0	107	T46 I53	T46-P48 VanDerWaalsContact O-CD 3.29Å; T46-P48 WeakPolarHBondContact O-CD 3.2Å; P48-I53 HydrophobicContact CB-CG1 4.21Å; P48-I53 HydrophobicContact CG-CD1 4Å; P48-I53 HydrophobicContact CG-CG1 3.94Å
49	D	72	Confident	66.5	Low	83 Å²	83	107.9 Å²	107.9	44%	0.444	61%	0.607	S	S	.	*			trans	-42.9	127.9	179	158.7	64.3	0	0	0	109.8	E47 Q51 T52 I53	E47-D49 PolarHBondContact O-N 3.01Å; D49-Q51 PolarHBondContact O-N 2.78Å; D49-Q51 WeakPolarHBondContact OD2-CB 3.28Å; D49-Q51 PolarHBondContact OD2-N 2.89Å; D49-T52 WeakPolarHBondContact O-CA 3.47Å; D49-T52 WeakPolarHBondContact O-CB 3.33Å; D49-T52 PolarHBondContact O-N 3.46Å; D49-T52 PolarHBondContact OD2-N 3.2Å; D49-T52 PolarHBondContact OD2-OG1 3.29Å; D49-I53 PolarHBondContact O-N 3.4Å
50	P	74.6	Confident	67.7	Low	91 Å²	91	110.6 Å²	110.6	59%	0.591	62%	0.616	S	S	*	*	H	α-helix	trans	-52.7	-31.9	-173.7	-28.6	33.4	0	0	0	113.3	T52 I53 F54	P50-T52 VanDerWaalsContact C-N 3.33Å; P50-I53 PolarHBondContact O-N 3.39Å; P50-F54 PolarHBondContact O-N 3.3Å
51	Q	73.7	Confident	68.8	Low	128 Å²	128	106.6 Å²	106.6	60%	0.598	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-35.6	176.9	-161.2	-175.6	-16.1	0	0	111.9	D49 F54 Q55	D49-Q51 PolarHBondContact O-N 2.78Å; D49-Q51 WeakPolarHBondContact OD2-CB 3.28Å; D49-Q51 PolarHBondContact OD2-N 2.89Å; Q51-F54 PolarHBondContact O-N 3.35Å; Q51-Q55 WeakPolarHBondContact O-CG 3.39Å; Q51-Q55 PolarHBondContact O-N 3.06Å
52	T	80.1	Confident	69.3	Low	72 Å²	72	100.4 Å²	100.4	44%	0.442	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-43.2	174	-55	0	0	0	0	111.3	D49 P50 F54 Q55 S56	D49-T52 WeakPolarHBondContact O-CA 3.47Å; D49-T52 WeakPolarHBondContact O-CB 3.33Å; D49-T52 PolarHBondContact O-N 3.46Å; D49-T52 PolarHBondContact OD2-N 3.2Å; D49-T52 PolarHBondContact OD2-OG1 3.29Å; P50-T52 VanDerWaalsContact C-N 3.33Å; T52-F54 VanDerWaalsContact C-N 3.31Å; T52-F54 PolarHBondContact O-N 3.25Å; T52-Q55 PolarHBondContact O-N 3.1Å; T52-S56 PolarHBondContact O-N 2.9Å; T52-S56 PolarHBondContact O-OG 2.92Å
53	I	80.4	Confident	69.7	Low	70 Å²	70	99 Å²	99	36%	0.359	58%	0.584	S	S	.	*	H	α-helix	trans	-59.8	-46.6	176.4	-57.5	175.3	0	0	0	109.8	P48 D49 P50 Q55 S56 I57	P48-I53 HydrophobicContact CB-CG1 4.21Å; P48-I53 HydrophobicContact CG-CD1 4Å; P48-I53 HydrophobicContact CG-CG1 3.94Å; D49-I53 PolarHBondContact O-N 3.4Å; P50-I53 PolarHBondContact O-N 3.39Å; I53-Q55 PolarHBondContact O-N 2.93Å; I53-S56 PolarHBondContact O-N 3.17Å; I53-I57 HydrophobicContact CG2-CD1 3.9Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 3.41Å
54	F	78.7	Confident	69.9	Low	136 Å²	136	98.6 Å²	98.6	60%	0.596	58%	0.575	S	S	*	*	H	α-helix	trans	-62.2	-44.1	-179.6	-157	-100.2	0	0	0	111.9	P50 Q51 T52 I57 L58	P50-F54 PolarHBondContact O-N 3.3Å; Q51-F54 PolarHBondContact O-N 3.35Å; T52-F54 VanDerWaalsContact C-N 3.31Å; T52-F54 PolarHBondContact O-N 3.25Å; F54-I57 PolarHBondContact O-N 3.03Å; F54-L58 HydrophobicContact CD1-CD1 3.78Å; F54-L58 HydrophobicContact CD1-CG 4.23Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CD2 4.49Å; F54-L58 HydrophobicContact CE1-CG 4.19Å; F54-L58 WeakPolarHBondContact O-CG 3.26Å; F54-L58 PolarHBondContact O-N 2.91Å
55	Q	79.2	Confident	70.3	Confident	122 Å²	122	97.9 Å²	97.9	57%	0.57	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-37.5	175.9	-74.5	-162.6	52.7	0	0	113	Q51 T52 I53 I57 L58 A59	Q51-Q55 WeakPolarHBondContact O-CG 3.39Å; Q51-Q55 PolarHBondContact O-N 3.06Å; T52-Q55 PolarHBondContact O-N 3.1Å; I53-Q55 PolarHBondContact O-N 2.93Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; Q55-L58 PolarHBondContact O-N 3.24Å; Q55-A59 VanDerWaalsContact O-CB 3.28Å; Q55-A59 WeakPolarHBondContact O-CB 3.26Å; Q55-A59 PolarHBondContact O-N 2.79Å
56	S	79	Confident	70.2	Confident	72 Å²	72	101 Å²	101	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-61.3	-43	174.1	-72.1	0	0	0	0	111.9	T52 I53 A59 E60	T52-S56 PolarHBondContact O-N 2.9Å; T52-S56 PolarHBondContact O-OG 2.92Å; I53-S56 PolarHBondContact O-N 3.17Å; S56-A59 PolarHBondContact O-N 2.92Å; S56-E60 WeakPolarHBondContact O-CB 3.4Å; S56-E60 PolarHBondContact O-N 3.25Å
57	I	81.1	Confident	69.8	Low	98 Å²	98	101.9 Å²	101.9	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-44.9	177.4	-66.7	166.1	0	0	0	110.8	I53 F54 Q55 A59 E60 A61	I53-I57 HydrophobicContact CG2-CD1 3.9Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 3.41Å; F54-I57 PolarHBondContact O-N 3.03Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; I57-A59 PolarHBondContact O-N 2.91Å; I57-E60 PolarHBondContact O-N 3.44Å; I57-A61 VanDerWaalsContact O-CB 3.26Å; I57-A61 WeakPolarHBondContact O-CB 3.45Å; I57-A61 PolarHBondContact O-N 3.43Å
58	L	78.1	Confident	69.3	Low	53 Å²	53	102 Å²	102	28%	0.277	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-41.5	177.6	-70	178	0	0	0	112.1	F54 Q55 A61 G62 L63	F54-L58 HydrophobicContact CD1-CD1 3.78Å; F54-L58 HydrophobicContact CD1-CG 4.23Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CD2 4.49Å; F54-L58 HydrophobicContact CE1-CG 4.19Å; F54-L58 WeakPolarHBondContact O-CG 3.26Å; F54-L58 PolarHBondContact O-N 2.91Å; Q55-L58 PolarHBondContact O-N 3.24Å; L58-A61 PolarHBondContact O-N 3.04Å; L58-G62 PolarHBondContact O-N 2.97Å; L58-G62 VanDerWaalsContact O-N 3.17Å; L58-L63 HydrophobicContact CB-CB 4.45Å; L58-L63 HydrophobicContact CD2-CB 4.03Å; L58-L63 HydrophobicContact CD2-CD1 3.83Å; L58-L63 PolarHBondContact O-N 2.94Å
59	A	79	Confident	69.1	Low	77 Å²	77	104.3 Å²	104.3	64%	0.636	60%	0.595	S	S	*	*	H	α-helix	trans	-65.5	-41.4	176.8	0	0	0	0	0	112.2	Q55 S56 I57 A61 G62	Q55-A59 VanDerWaalsContact O-CB 3.28Å; Q55-A59 WeakPolarHBondContact O-CB 3.26Å; Q55-A59 PolarHBondContact O-N 2.79Å; S56-A59 PolarHBondContact O-N 2.92Å; I57-A59 PolarHBondContact O-N 2.91Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-G62 PolarHBondContact O-N 3.07Å
60	E	77.8	Confident	68	Low	176 Å²	176	109 Å²	109	82%	0.822	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-37.8	175.1	-174.1	174.7	173.3	0	0	111.8	S56 I57 G62	S56-E60 WeakPolarHBondContact O-CB 3.4Å; S56-E60 PolarHBondContact O-N 3.25Å; I57-E60 PolarHBondContact O-N 3.44Å; E60-G62 PolarHBondContact O-N 3.08Å
61	A	77.5	Confident	66.8	Low	61 Å²	61	112.6 Å²	112.6	50%	0.504	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.8	-4.1	175.3	0	0	0	0	0	113.7	I57 L58 A59 L63	I57-A61 VanDerWaalsContact O-CB 3.26Å; I57-A61 WeakPolarHBondContact O-CB 3.45Å; I57-A61 PolarHBondContact O-N 3.43Å; L58-A61 PolarHBondContact O-N 3.04Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A61-L63 HydrophobicContact CB-CD1 3.88Å; A61-L63 HydrophobicContact CB-CG 3.87Å; A61-L63 PolarHBondContact O-N 3.21Å
62	G	63.9	Low	65.6	Low	63 Å²	63	115.6 Å²	115.6	65%	0.649	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	18.2	-176.4	0	0	0	0	0	113.5	L58 A59 E60 S64	L58-G62 PolarHBondContact O-N 2.97Å; L58-G62 VanDerWaalsContact O-N 3.17Å; A59-G62 PolarHBondContact O-N 3.07Å; E60-G62 PolarHBondContact O-N 3.08Å; G62-S64 PolarHBondContact O-N 3.2Å
63	L	62.4	Low	63.8	Low	104 Å²	104	117.4 Å²	117.4	55%	0.545	65%	0.652	S	S	.	*			trans	-87.7	80.7	176.9	-59.8	174.5	0	0	0	107.7	L58 A61	L58-L63 HydrophobicContact CB-CB 4.45Å; L58-L63 HydrophobicContact CD2-CB 4.03Å; L58-L63 HydrophobicContact CD2-CD1 3.83Å; L58-L63 PolarHBondContact O-N 2.94Å; A61-L63 HydrophobicContact CB-CD1 3.88Å; A61-L63 HydrophobicContact CB-CG 3.87Å; A61-L63 PolarHBondContact O-N 3.21Å
64	S	52	Low	62.5	Low	81 Å²	81	123.1 Å²	123.1	57%	0.566	68%	0.678	S	S	*	*			trans	-63.7	133.9	169	-156.3	0	0	0	0	108.4	G62 E66	G62-S64 PolarHBondContact O-N 3.2Å; S64-E66 PolarHBondContact O-N 2.9Å
65	P	56.4	Low	61.2	Low	123 Å²	123	122.5 Å²	122.5	80%	0.799	68%	0.681	S	S	*	*			trans	-76.5	27.3	-177.6	32.8	-35.6	0	0	0	113.2
66	E	50.3	Low	59.8	Low	156 Å²	156	125.6 Å²	125.6	73%	0.729	70%	0.695	S	S	*	*			trans	-99.5	104	-174	-55.9	-167.4	128.7	0	0	110.5	S64	S64-E66 PolarHBondContact O-N 2.9Å
67	D	48.7	Very low	58.4	Low	155 Å²	155	126.1 Å²	126.1	83%	0.829	70%	0.696	S	S	*	*			trans	72.3	99.8	153.2	-76.5	-58.4	0	0	0	120
68	D	49.6	Very low	57.1	Low	146 Å²	146	128.6 Å²	128.6	78%	0.781	71%	0.705	S	S	*	*				61.7	89.6	120	-151.6	48.3	0	0	0	117.5
69	V	57	Low	55.7	Low	123 Å²	123	131.7 Å²	131.7	75%	0.745	73%	0.726	S	S	*	*			trans	-143.1	123.6	142	102.4	0	0	0	0	109	E71	V69-E71 VanDerWaalsContact C-N 3.33Å; V69-E71 HydrophobicContact CG1-CG 4.04Å; V69-E71 PolarHBondContact O-N 2.89Å
70	E	47.8	Very low	54.8	Low	182 Å²	182	132 Å²	132	85%	0.85	72%	0.72	S	S	*	*			trans	-62.2	90.8	172.9	-62.1	-142.1	131.1	0	0	109.9
71	E	51.1	Low	53.9	Low	167 Å²	167	131.8 Å²	131.8	78%	0.78	72%	0.719	S	S	*	*			trans	-89.5	110.3	162.4	-81.4	-75.2	141.1	0	0	107.3	V69 S73	V69-E71 VanDerWaalsContact C-N 3.33Å; V69-E71 HydrophobicContact CG1-CG 4.04Å; V69-E71 PolarHBondContact O-N 2.89Å; E71-S73 PolarHBondContact O-N 3.37Å
72	E	46.7	Very low	53.7	Low	191 Å²	191	138 Å²	138	89%	0.893	73%	0.734	S	S	*	*			trans	-39.3	101.9	172.4	-67	-179.3	139	0	0	110.5	E74	E72-E74 PolarHBondContact O-N 3.29Å
73	S	44.1	Very low	54.2	Low	109 Å²	109	141 Å²	141	76%	0.762	74%	0.735	S	S	*	*			trans	-63.4	100.5	166.2	53	0	0	0	0	108.3	E71	E71-S73 PolarHBondContact O-N 3.37Å
74	E	51.3	Low	55.3	Low	190 Å²	190	142.6 Å²	142.6	89%	0.888	74%	0.737	S	S	*	*			trans	-168.3	128.4	146.3	-111.8	163.3	-160.5	0	0	110.8	E72	E72-E74 PolarHBondContact O-N 3.29Å
75	N	51.5	Low	56.9	Low	123 Å²	123	142.7 Å²	142.7	66%	0.658	73%	0.729	S	S	*	*			trans	79.5	51.7	176.6	-156.9	86.1	0	0	0	115	T77	N75-T77 WeakPolarHBondContact ND2-CG2 3.34Å; N75-T77 PolarHBondContact ND2-OG1 3.09Å; N75-T77 PolarHBondContact O-N 2.8Å; N75-T77 WeakPolarHBondContact OD1-CG2 3.45Å
76	E	49.5	Very low	58.4	Low	187 Å²	187	143.6 Å²	143.6	87%	0.874	72%	0.722	S	S	*	*				-59.9	78.1	129.8	-164.3	174.5	116	0	0	106.4	E78	E76-E78 PolarHBondContact O-N 3.31Å
77	T	50.5	Low	60.4	Low	84 Å²	84	139 Å²	139	52%	0.515	70%	0.703	S	S	.	*			trans	-56.4	89	148.4	36.7	0	0	0	0	104	N75 V79	N75-T77 WeakPolarHBondContact ND2-CG2 3.34Å; N75-T77 PolarHBondContact ND2-OG1 3.09Å; N75-T77 PolarHBondContact O-N 2.8Å; N75-T77 WeakPolarHBondContact OD1-CG2 3.45Å; T77-V79 PolarHBondContact O-N 2.78Å
78	E	54.5	Low	62.4	Low	149 Å²	149	133.9 Å²	133.9	70%	0.696	68%	0.677	S	S	*	*			trans	-46.5	98.3	149	-167.2	-171.2	171	0	0	103.1	E76 V80	E76-E78 PolarHBondContact O-N 3.31Å; E78-V80 HydrophobicContact CB-CG2 4.05Å; E78-V80 HydrophobicContact CG-CG2 3.54Å; E78-V80 PolarHBondContact O-N 3Å; E78-V80 WeakPolarHBondContact OE1-CG2 3.38Å
79	V	48.4	Very low	64.4	Low	118 Å²	118	128.2 Å²	128.2	72%	0.715	65%	0.653	S	S	*	*			trans	-69.9	68.5	170.4	-78.3	0	0	0	0	104.3	T77 Q81	T77-V79 PolarHBondContact O-N 2.78Å; V79-Q81 PolarHBondContact O-N 3.42Å
80	V	59.1	Low	66.2	Low	85 Å²	85	129.7 Å²	129.7	52%	0.515	65%	0.645	S	S	.	*			trans	-57.7	94.3	165.8	179.1	0	0	0	0	102.6	E78 K82	E78-V80 HydrophobicContact CB-CG2 4.05Å; E78-V80 HydrophobicContact CG-CG2 3.54Å; E78-V80 PolarHBondContact O-N 3Å; E78-V80 WeakPolarHBondContact OE1-CG2 3.38Å; V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.89Å
81	Q	60.4	Low	68.4	Low	171 Å²	171	125.3 Å²	125.3	80%	0.799	63%	0.631	S	S	*	*			trans	-57.8	102.7	174.9	-81.6	-173.1	5.9	0	0	104.6	V79 L83	V79-Q81 PolarHBondContact O-N 3.42Å; Q81-L83 VanDerWaalsContact C-N 3.28Å; Q81-L83 PolarHBondContact O-N 2.9Å
82	K	72.8	Confident	70.4	Confident	190 Å²	190	118.2 Å²	118.2	83%	0.826	60%	0.598	S	S	*	*			trans	-67.6	98.3	177.3	-68.6	-159.9	177.4	-172.9	0	105.9	V80 K84	V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.89Å; K82-K84 PolarHBondContact O-N 3.13Å
83	L	73.8	Confident	72.7	Confident	126 Å²	126	111.4 Å²	111.4	66%	0.66	58%	0.575	S	S	*	*			trans	-52.9	130.9	168.2	-77.1	165.6	0	0	0	107.6	Q81 D87 V88	Q81-L83 VanDerWaalsContact C-N 3.28Å; Q81-L83 PolarHBondContact O-N 2.9Å; L83-D87 HydrophobicContact CD2-CB 4.31Å; L83-V88 HydrophobicContact CB-CG2 3.87Å; L83-V88 HydrophobicContact CD1-CG2 4.46Å
84	K	86.4	Confident	75.1	Confident	138 Å²	138	112.3 Å²	112.3	60%	0.6	57%	0.567	S	S	*	*			trans	-67.8	148.2	175.2	-61	-178.6	178.5	177.7	0	107.8	K82 E86 D87 V88	K82-K84 PolarHBondContact O-N 3.13Å; K84-E86 PolarHBondContact O-N 2.85Å; K84-E86 VanDerWaalsContact O-N 3.16Å; K84-D87 WeakPolarHBondContact CB-OD2 3.35Å; K84-D87 PolarHBondContact N-OD2 2.83Å; K84-D87 WeakPolarHBondContact O-CB 3.27Å; K84-D87 PolarHBondContact O-N 2.81Å; K84-V88 PolarHBondContact O-N 3.5Å; K84-V88 VanDerWaalsContact O-N 3.14Å
85	E	85	Confident	77.1	Confident	84 Å²	84	106.5 Å²	106.5	39%	0.393	54%	0.542	S	S	.	.	H	α-helix	trans	-51.8	-38	174.6	-178.3	-172.1	141.7	0	0	111.7	D87 V88 G89 L117 V121	E85-D87 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 3.19Å; E85-V88 PolarHBondContact O-N 3.43Å; E85-G89 PolarHBondContact O-N 3.36Å; E85-L117 HydrophobicContact CG-CD1 4.36Å; E85-V121 HydrophobicContact CG-CG2 3.63Å; E85-V121 VanDerWaalsContact OE1-CG1 3.23Å; E85-V121 WeakPolarHBondContact OE1-CG1 3.38Å; E85-V121 WeakPolarHBondContact OE1-CG2 3.41Å; E85-V121 WeakPolarHBondContact OE2-CG2 3.08Å
86	E	88.7	Confident	79.1	Confident	141 Å²	141	104.8 Å²	104.8	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-62.6	-36.6	175.5	-64.6	173.6	169.5	0	0	113	K84 R90	K84-E86 PolarHBondContact O-N 2.85Å; K84-E86 VanDerWaalsContact O-N 3.16Å; E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 PolarHBondContact O-N 2.86Å
87	D	91.5	Very high	81.3	Confident	60 Å²	60	100.2 Å²	100.2	32%	0.321	52%	0.516	S	S	.	.	H	α-helix	trans	-71	-45	179	-60.4	-38.8	0	0	0	110.1	L83 K84 E85 G89 R90 V91	L83-D87 HydrophobicContact CD2-CB 4.31Å; K84-D87 WeakPolarHBondContact CB-OD2 3.35Å; K84-D87 PolarHBondContact N-OD2 2.83Å; K84-D87 WeakPolarHBondContact O-CB 3.27Å; K84-D87 PolarHBondContact O-N 2.81Å; E85-D87 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 3.19Å; D87-G89 PolarHBondContact O-N 3.41Å; D87-R90 WeakPolarHBondContact O-CB 3.46Å; D87-R90 PolarHBondContact O-N 3.19Å; D87-V91 WeakPolarHBondContact O-CG2 3.3Å; D87-V91 PolarHBondContact O-N 2.95Å
88	V	90.7	Very high	83.4	Confident	48 Å²	48	101.5 Å²	101.5	29%	0.291	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176.1	-178.6	0	0	0	0	110.7	L83 K84 E85 R90 V91 L92 L117	L83-V88 HydrophobicContact CB-CG2 3.87Å; L83-V88 HydrophobicContact CD1-CG2 4.46Å; K84-V88 PolarHBondContact O-N 3.5Å; K84-V88 VanDerWaalsContact O-N 3.14Å; E85-V88 PolarHBondContact O-N 3.43Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 3.39Å; V88-V91 PolarHBondContact O-N 3.39Å; V88-L92 HydrophobicContact CG1-CD1 4.06Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 PolarHBondContact O-N 3.49Å; V88-L117 HydrophobicContact CG1-CD1 4.14Å; V88-L117 HydrophobicContact CG1-CD2 4.21Å
89	G	92.2	Very high	85.3	Confident	27 Å²	27	94.4 Å²	94.4	28%	0.278	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-38.4	176	0	0	0	0	0	112.9	E85 D87 L92 A93	E85-G89 PolarHBondContact O-N 3.36Å; D87-G89 PolarHBondContact O-N 3.41Å; G89-L92 PolarHBondContact O-N 2.95Å; G89-A93 PolarHBondContact O-N 3.47Å
90	R	93.7	Very high	87.5	Confident	153 Å²	153	91.5 Å²	91.5	58%	0.577	47%	0.47	S	S	*	.	H	α-helix	trans	-67	-43.4	176.3	-166.9	-171.8	-52.1	-101.3	-2.4	112.2	E86 D87 V88 L92 A93 Q94	E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 PolarHBondContact O-N 2.86Å; D87-R90 WeakPolarHBondContact O-CB 3.46Å; D87-R90 PolarHBondContact O-N 3.19Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 3.39Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-A93 PolarHBondContact O-N 3.25Å; R90-Q94 WeakPolarHBondContact O-CG 3.22Å; R90-Q94 PolarHBondContact O-N 3.38Å
91	V	94.3	Very high	89.2	Confident	91 Å²	91	94 Å²	94	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-63	-42.3	176.2	172.8	0	0	0	0	110.5	D87 V88 A93 Q94 L95	D87-V91 WeakPolarHBondContact O-CG2 3.3Å; D87-V91 PolarHBondContact O-N 2.95Å; V88-V91 PolarHBondContact O-N 3.39Å; V91-A93 PolarHBondContact O-N 3.12Å; V91-Q94 PolarHBondContact O-N 3.33Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 PolarHBondContact O-N 2.84Å
92	L	94	Very high	90.9	Very high	17 Å²	17	92 Å²	92	9%	0.089	47%	0.465	C	S	.	.	H	α-helix	trans	-59.5	-44.1	174.4	-99.4	148.1	0	0	0	112.5	V88 G89 R90 Q94 L95 K96 V110 A113 E114 L117	V88-L92 HydrophobicContact CG1-CD1 4.06Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 PolarHBondContact O-N 3.49Å; G89-L92 PolarHBondContact O-N 2.95Å; R90-L92 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 2.86Å; L92-L95 PolarHBondContact O-N 3.3Å; L92-K96 WeakPolarHBondContact O-CB 3.46Å; L92-K96 PolarHBondContact O-N 2.9Å; L92-V110 HydrophobicContact CD2-CG1 4Å; L92-A113 HydrophobicContact CD2-CB 3.67Å; L92-E114 HydrophobicContact CD2-CG 3.67Å; L92-L117 HydrophobicContact CD1-CB 4.41Å; L92-L117 HydrophobicContact CD1-CD2 3.95Å
93	A	93.9	Very high	91.9	Very high	49 Å²	49	85 Å²	85	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-42.1	175.8	0	0	0	0	0	112.2	G89 R90 V91 K96 C97	G89-A93 PolarHBondContact O-N 3.47Å; R90-A93 PolarHBondContact O-N 3.25Å; V91-A93 PolarHBondContact O-N 3.12Å; A93-K96 WeakPolarHBondContact O-CB 3.45Å; A93-K96 PolarHBondContact O-N 2.75Å; A93-C97 PolarHBondContact O-N 2.9Å; A93-C97 VanDerWaalsContact O-N 3.12Å; A93-C97 PolarHBondContact O-SG 3.48Å
94	Q	94.2	Very high	92.9	Very high	128 Å²	128	82.9 Å²	82.9	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-44.2	174.6	-72.9	179.6	-17.2	0	0	111.8	R90 V91 L92 K96 C97 F98	R90-Q94 WeakPolarHBondContact O-CG 3.22Å; R90-Q94 PolarHBondContact O-N 3.38Å; V91-Q94 PolarHBondContact O-N 3.33Å; L92-Q94 PolarHBondContact O-N 2.86Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.03Å; Q94-C97 PolarHBondContact O-N 3.26Å; Q94-F98 WeakPolarHBondContact O-CB 3.44Å; Q94-F98 PolarHBondContact O-N 2.8Å
95	L	93.1	Very high	93.2	Very high	68 Å²	68	85.1 Å²	85.1	36%	0.356	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-34.8	177.6	-173.3	62	0	0	0	111.5	V91 L92 F98 A99 V110	V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 PolarHBondContact O-N 2.84Å; L92-L95 PolarHBondContact O-N 3.3Å; L95-F98 HydrophobicContact CD1-CD1 4.37Å; L95-F98 PolarHBondContact O-N 2.94Å; L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.99Å; L95-V110 HydrophobicContact CD2-CG2 3.91Å; L95-V110 HydrophobicContact CG-CG2 3.79Å
96	K	95.2	Very high	93.7	Very high	87 Å²	87	85 Å²	85	38%	0.378	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-47.7	173.7	-166.9	173.6	-167.7	155.5	0	112.2	L92 A93 Q94 F98 A99 A100 L107 V110 E114	L92-K96 WeakPolarHBondContact O-CB 3.46Å; L92-K96 PolarHBondContact O-N 2.9Å; A93-K96 WeakPolarHBondContact O-CB 3.45Å; A93-K96 PolarHBondContact O-N 2.75Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.03Å; K96-F98 VanDerWaalsContact C-N 3.34Å; K96-A99 PolarHBondContact O-N 2.99Å; K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 3.18Å; K96-L107 HydrophobicContact CG-CD2 4.24Å; K96-V110 HydrophobicContact CB-CG1 3.86Å; K96-V110 HydrophobicContact CG-CG1 4.24Å; K96-E114 WeakPolarHBondContact CD-OE1 3.45Å; K96-E114 VanDerWaalsContact NZ-CD 3.33Å; K96-E114 IonicContact NZ-OE1 2.99Å; K96-E114 PolarHBondContact NZ-OE1 2.95Å; K96-E114 IonicContact NZ-OE2 2.8Å; K96-E114 PolarHBondContact NZ-OE2 2.93Å
97	C	95.7	Very high	93.9	Very high	91 Å²	91	81.2 Å²	81.2	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-61.5	-44.4	175.2	-66.8	0	0	0	0	111.3	A93 Q94 A100 E101	A93-C97 PolarHBondContact O-N 2.9Å; A93-C97 VanDerWaalsContact O-N 3.12Å; A93-C97 PolarHBondContact O-SG 3.48Å; Q94-C97 PolarHBondContact O-N 3.26Å; C97-A100 PolarHBondContact O-N 2.95Å; C97-E101 PolarHBondContact O-N 3.36Å; C97-E101 VanDerWaalsContact O-N 3.09Å
98	F	93.6	Very high	94.1	Very high	110 Å²	110	82.1 Å²	82.1	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.7	177.5	-93.3	0	0	0	112	Q94 L95 K96 E101 K102	Q94-F98 WeakPolarHBondContact O-CB 3.44Å; Q94-F98 PolarHBondContact O-N 2.8Å; L95-F98 HydrophobicContact CD1-CD1 4.37Å; L95-F98 PolarHBondContact O-N 2.94Å; K96-F98 VanDerWaalsContact C-N 3.34Å; F98-E101 PolarHBondContact O-N 3.36Å; F98-K102 HydrophobicContact CD2-CB 4.45Å; F98-K102 HydrophobicContact CD2-CG 3.91Å; F98-K102 HydrophobicContact CE1-CB 4.22Å; F98-K102 HydrophobicContact CE2-CB 4.09Å; F98-K102 HydrophobicContact CE2-CG 3.64Å; F98-K102 HydrophobicContact CZ-CB 3.96Å; F98-K102 HydrophobicContact CZ-CG 4.04Å; F98-K102 WeakPolarHBondContact O-CB 3.42Å; F98-K102 PolarHBondContact O-N 2.96Å
99	A	94.3	Very high	94.4	Very high	0 Å²	0	82.5 Å²	82.5	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-63.3	-43.9	177.5	0	0	0	0	0	111	L95 K96 E101 C103 P104 M106 L107 V110	L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.99Å; K96-A99 PolarHBondContact O-N 2.99Å; A99-E101 VanDerWaalsContact C-N 3.26Å; A99-E101 PolarHBondContact O-N 3.5Å; A99-C103 CarbonylContact O-C 2.83Å; A99-C103 WeakPolarHBondContact O-CA 3.42Å; A99-C103 PolarHBondContact O-N 2.96Å; A99-C103 VanDerWaalsContact O-O 3.06Å; A99-P104 WeakPolarHBondContact O-CA 3.49Å; A99-M106 HydrophobicContact CB-CB 4.07Å; A99-L107 HydrophobicContact CB-CD2 3.78Å; A99-L107 HydrophobicContact CB-CG 4.13Å; A99-V110 HydrophobicContact CB-CG2 4.24Å
100	A	94.3	Very high	94.4	Very high	58 Å²	58	81.4 Å²	81.4	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-59.5	-36.1	177.3	0	0	0	0	0	112.8	K96 C97 L107	K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 3.18Å; C97-A100 PolarHBondContact O-N 2.95Å; A100-L107 HydrophobicContact CB-CD2 4.29Å
101	E	95.2	Very high	94.4	Very high	138 Å²	138	76 Å²	76	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-86.5	-44.4	-179	-165.4	-167	146.2	0	0	113.4	C97 F98 A99	C97-E101 PolarHBondContact O-N 3.36Å; C97-E101 VanDerWaalsContact O-N 3.09Å; F98-E101 PolarHBondContact O-N 3.36Å; A99-E101 VanDerWaalsContact C-N 3.26Å; A99-E101 PolarHBondContact O-N 3.5Å
102	K	96.9	Very high	94.6	Very high	127 Å²	127	77.4 Å²	77.4	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-105.4	-32.6	-167.8	-57.6	-52.9	-167.9	-161.9	0	114	F98	F98-K102 HydrophobicContact CD2-CB 4.45Å; F98-K102 HydrophobicContact CD2-CG 3.91Å; F98-K102 HydrophobicContact CE1-CB 4.22Å; F98-K102 HydrophobicContact CE2-CB 4.09Å; F98-K102 HydrophobicContact CE2-CG 3.64Å; F98-K102 HydrophobicContact CZ-CB 3.96Å; F98-K102 HydrophobicContact CZ-CG 4.04Å; F98-K102 WeakPolarHBondContact O-CB 3.42Å; F98-K102 PolarHBondContact O-N 2.96Å
103	C	93.9	Very high	94.6	Very high	44 Å²	44	78.6 Å²	78.6	30%	0.297	44%	0.438	S	S	.	.			trans	-150.8	77.8	-176.1	-167.6	0	0	0	0	112	A99 K105 M106	A99-C103 CarbonylContact O-C 2.83Å; A99-C103 WeakPolarHBondContact O-CA 3.42Å; A99-C103 PolarHBondContact O-N 2.96Å; A99-C103 VanDerWaalsContact O-O 3.06Å; C103-K105 PolarHBondContact O-N 3.48Å; C103-M106 HydrophobicContact CB-CG 4.18Å; C103-M106 HydrophobicContact CB-SD 3.92Å; C103-M106 WeakPolarHBondContact O-CB 3.22Å; C103-M106 PolarHBondContact O-N 3.46Å
104	P	93.6	Very high	94.5	Very high	81 Å²	81	79.4 Å²	79.4	53%	0.526	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-58.8	-24.5	-175.9	-27.9	35.6	0	0	0	113.8	A99 M106 L107	A99-P104 WeakPolarHBondContact O-CA 3.49Å; P104-M106 PolarHBondContact O-N 3.43Å; P104-L107 HydrophobicContact CB-CD1 4.29Å; P104-L107 VanDerWaalsContact O-CB 3.27Å; P104-L107 WeakPolarHBondContact O-CB 3.36Å; P104-L107 WeakPolarHBondContact O-CG 3.48Å; P104-L107 PolarHBondContact O-N 3Å
105	K	94.1	Very high	94.5	Very high	186 Å²	186	78.2 Å²	78.2	81%	0.809	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-60.5	-26.3	174.6	-63.3	-177.8	-179	-180	0	113.2	C103 L107 S108	C103-K105 PolarHBondContact O-N 3.48Å; K105-L107 VanDerWaalsContact C-N 3.31Å; K105-S108 PolarHBondContact O-OG 3.32Å
106	M	94.6	Very high	94.5	Very high	80 Å²	80	77.8 Å²	77.8	39%	0.394	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-78.6	-11.4	176.8	-71	176.1	68.1	0	0	113.3	A99 C103 P104 S108 A109 V110	A99-M106 HydrophobicContact CB-CB 4.07Å; C103-M106 HydrophobicContact CB-CG 4.18Å; C103-M106 HydrophobicContact CB-SD 3.92Å; C103-M106 WeakPolarHBondContact O-CB 3.22Å; C103-M106 PolarHBondContact O-N 3.46Å; P104-M106 PolarHBondContact O-N 3.43Å; M106-S108 PolarHBondContact O-N 3.26Å; M106-A109 WeakPolarHBondContact O-CB 3.46Å; M106-A109 PolarHBondContact O-N 3.29Å; M106-A109 VanDerWaalsContact O-N 3.08Å; M106-V110 WeakPolarHBondContact O-CG2 3.48Å; M106-V110 PolarHBondContact O-N 3.4Å
107	L	93.9	Very high	94.3	Very high	63 Å²	63	75.3 Å²	75.3	33%	0.33	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-31.7	-176.9	-73.3	171.4	0	0	0	112.9	K96 A99 A100 P104 K105 V110 A111	K96-L107 HydrophobicContact CG-CD2 4.24Å; A99-L107 HydrophobicContact CB-CD2 3.78Å; A99-L107 HydrophobicContact CB-CG 4.13Å; A100-L107 HydrophobicContact CB-CD2 4.29Å; P104-L107 HydrophobicContact CB-CD1 4.29Å; P104-L107 VanDerWaalsContact O-CB 3.27Å; P104-L107 WeakPolarHBondContact O-CB 3.36Å; P104-L107 WeakPolarHBondContact O-CG 3.48Å; P104-L107 PolarHBondContact O-N 3Å; K105-L107 VanDerWaalsContact C-N 3.31Å; L107-V110 PolarHBondContact O-N 3.22Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.01Å
108	S	96	Very high	94.1	Very high	78 Å²	78	72.6 Å²	72.6	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-63.8	-46.5	174.5	56.6	0	0	0	0	111.8	K105 M106 V110 A111 I112	K105-S108 PolarHBondContact O-OG 3.32Å; M106-S108 PolarHBondContact O-N 3.26Å; S108-V110 VanDerWaalsContact C-N 3.32Å; S108-V110 PolarHBondContact O-N 3.02Å; S108-A111 PolarHBondContact O-N 3.42Å; S108-I112 VanDerWaalsContact O-CG1 3.3Å; S108-I112 WeakPolarHBondContact O-CG1 3.39Å; S108-I112 PolarHBondContact O-N 3.14Å
109	A	95.1	Very high	94	Very high	56 Å²	56	70.3 Å²	70.3	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.4	0	0	0	0	0	111.7	M106 I112 A113	M106-A109 WeakPolarHBondContact O-CB 3.46Å; M106-A109 PolarHBondContact O-N 3.29Å; M106-A109 VanDerWaalsContact O-N 3.08Å; A109-I112 PolarHBondContact O-N 2.69Å; A109-A113 PolarHBondContact O-N 2.98Å
110	V	94	Very high	93.6	Very high	4 Å²	4	76.8 Å²	76.8	2%	0.024	45%	0.446	C	S	.	.	H	α-helix	trans	-62.3	-44.9	174.4	179	0	0	0	0	110.9	L92 L95 K96 A99 M106 L107 S108 I112 A113 E114	L92-V110 HydrophobicContact CD2-CG1 4Å; L95-V110 HydrophobicContact CD2-CG2 3.91Å; L95-V110 HydrophobicContact CG-CG2 3.79Å; K96-V110 HydrophobicContact CB-CG1 3.86Å; K96-V110 HydrophobicContact CG-CG1 4.24Å; A99-V110 HydrophobicContact CB-CG2 4.24Å; M106-V110 WeakPolarHBondContact O-CG2 3.48Å; M106-V110 PolarHBondContact O-N 3.4Å; L107-V110 PolarHBondContact O-N 3.22Å; S108-V110 VanDerWaalsContact C-N 3.32Å; S108-V110 PolarHBondContact O-N 3.02Å; V110-I112 VanDerWaalsContact C-N 3.33Å; V110-I112 PolarHBondContact O-N 2.7Å; V110-A113 PolarHBondContact O-N 3.49Å; V110-E114 WeakPolarHBondContact O-CG 3.5Å; V110-E114 PolarHBondContact O-N 2.9Å
111	A	93.8	Very high	93.2	Very high	41 Å²	41	74.7 Å²	74.7	34%	0.339	43%	0.427	S	S	.	.	H	α-helix	trans	-63.5	-37	177.9	0	0	0	0	0	112.7	L107 S108 E114 T115	L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.01Å; S108-A111 PolarHBondContact O-N 3.42Å; A111-E114 PolarHBondContact O-N 2.75Å; A111-T115 WeakPolarHBondContact O-CB 3.41Å; A111-T115 PolarHBondContact O-N 2.83Å; A111-T115 PolarHBondContact O-OG1 3.45Å
112	I	96.6	Very high	92.7	Very high	119 Å²	119	72.1 Å²	72.1	61%	0.61	42%	0.424	S	S	*	.	H	α-helix	trans	-63	-46	173.4	-68.4	163.4	0	0	0	110.1	S108 A109 V110 E114 T115 A116	S108-I112 VanDerWaalsContact O-CG1 3.3Å; S108-I112 WeakPolarHBondContact O-CG1 3.39Å; S108-I112 PolarHBondContact O-N 3.14Å; A109-I112 PolarHBondContact O-N 2.69Å; V110-I112 VanDerWaalsContact C-N 3.33Å; V110-I112 PolarHBondContact O-N 2.7Å; I112-E114 PolarHBondContact O-N 3.23Å; I112-T115 WeakPolarHBondContact O-CB 3.21Å; I112-T115 PolarHBondContact O-N 2.8Å; I112-A116 WeakPolarHBondContact O-CB 3.37Å; I112-A116 PolarHBondContact O-N 2.72Å
113	A	93.8	Very high	92.1	Very high	42 Å²	42	68.8 Å²	68.8	35%	0.347	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-38.4	177.4	0	0	0	0	0	112.5	L92 A109 V110 T115 A116 L117	L92-A113 HydrophobicContact CD2-CB 3.67Å; A109-A113 PolarHBondContact O-N 2.98Å; V110-A113 PolarHBondContact O-N 3.49Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 3.29Å; A113-A116 PolarHBondContact O-N 2.87Å; A113-L117 WeakPolarHBondContact O-CB 3.45Å; A113-L117 PolarHBondContact O-N 2.91Å
114	E	92.6	Very high	91.4	Very high	67 Å²	67	72.4 Å²	72.4	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-59.7	-43.6	171.6	-72.7	-176.4	143.1	0	0	111	L92 K96 V110 A111 I112 L117 G118	L92-E114 HydrophobicContact CD2-CG 3.67Å; K96-E114 WeakPolarHBondContact CD-OE1 3.45Å; K96-E114 VanDerWaalsContact NZ-CD 3.33Å; K96-E114 IonicContact NZ-OE1 2.99Å; K96-E114 PolarHBondContact NZ-OE1 2.95Å; K96-E114 IonicContact NZ-OE2 2.8Å; K96-E114 PolarHBondContact NZ-OE2 2.93Å; V110-E114 WeakPolarHBondContact O-CG 3.5Å; V110-E114 PolarHBondContact O-N 2.9Å; A111-E114 PolarHBondContact O-N 2.75Å; I112-E114 PolarHBondContact O-N 3.23Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-G118 PolarHBondContact O-N 2.91Å
115	T	94.7	Very high	90.5	Very high	102 Å²	102	75.1 Å²	75.1	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-65.6	-43.5	178.7	-56.8	0	0	0	0	111.5	A111 I112 A113 G118 A119	A111-T115 WeakPolarHBondContact O-CB 3.41Å; A111-T115 PolarHBondContact O-N 2.83Å; A111-T115 PolarHBondContact O-OG1 3.45Å; I112-T115 WeakPolarHBondContact O-CB 3.21Å; I112-T115 PolarHBondContact O-N 2.8Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 3.29Å; T115-G118 PolarHBondContact O-N 2.9Å; T115-A119 PolarHBondContact O-N 3.33Å
116	A	93.3	Very high	89.4	Confident	59 Å²	59	73.4 Å²	73.4	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-63	-42	177.2	0	0	0	0	0	111.8	I112 A113 A119 Y120	I112-A116 WeakPolarHBondContact O-CB 3.37Å; I112-A116 PolarHBondContact O-N 2.72Å; A113-A116 PolarHBondContact O-N 2.87Å; A116-A119 PolarHBondContact O-N 3.16Å; A116-Y120 WeakPolarHBondContact O-CB 3.17Å; A116-Y120 PolarHBondContact O-N 2.9Å
117	L	90.5	Very high	88	Confident	36 Å²	36	74.7 Å²	74.7	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-61	-48	173.2	-177	64.1	0	0	0	110.5	E85 V88 L92 A113 E114 A119 Y120 V121	E85-L117 HydrophobicContact CG-CD1 4.36Å; V88-L117 HydrophobicContact CG1-CD1 4.14Å; V88-L117 HydrophobicContact CG1-CD2 4.21Å; L92-L117 HydrophobicContact CD1-CB 4.41Å; L92-L117 HydrophobicContact CD1-CD2 3.95Å; A113-L117 WeakPolarHBondContact O-CB 3.45Å; A113-L117 PolarHBondContact O-N 2.91Å; E114-L117 PolarHBondContact O-N 2.91Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.46Å; L117-Y120 HydrophobicContact CD1-CD1 4.48Å; L117-Y120 WeakPolarHBondContact O-CB 3.49Å; L117-Y120 PolarHBondContact O-N 3.31Å; L117-V121 HydrophobicContact CD1-CG2 4.36Å; L117-V121 HydrophobicContact CG-CG2 4.47Å; L117-V121 VanDerWaalsContact O-CG2 3.22Å; L117-V121 WeakPolarHBondContact O-CG2 3.36Å; L117-V121 PolarHBondContact O-N 3.33Å
118	G	90.6	Very high	86.6	Confident	34 Å²	34	76.8 Å²	76.8	35%	0.351	44%	0.436	S	S	.	.	H	α-helix	trans	-55.4	-45.8	175.9	0	0	0	0	0	112.9	E114 T115 Y120 V121 C122	E114-G118 PolarHBondContact O-N 2.91Å; T115-G118 PolarHBondContact O-N 2.9Å; G118-Y120 PolarHBondContact O-N 3.29Å; G118-V121 PolarHBondContact O-N 3.45Å; G118-C122 WeakPolarHBondContact O-CB 3.23Å; G118-C122 PolarHBondContact O-N 3.24Å; G118-C122 PolarHBondContact O-SG 3.36Å
119	A	91.3	Very high	85	Confident	61 Å²	61	77.1 Å²	77.1	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.1	0	0	0	0	0	112.4	T115 A116 L117 C122 S123	T115-A119 PolarHBondContact O-N 3.33Å; A116-A119 PolarHBondContact O-N 3.16Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.46Å; A119-C122 PolarHBondContact O-N 2.97Å; A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.08Å
120	Y	86.8	Confident	83.4	Confident	137 Å²	137	82.9 Å²	82.9	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-46.8	175.2	170.3	-103.9	0	0	0	111.7	A116 L117 G118 S123 K124	A116-Y120 WeakPolarHBondContact O-CB 3.17Å; A116-Y120 PolarHBondContact O-N 2.9Å; L117-Y120 HydrophobicContact CD1-CD1 4.48Å; L117-Y120 WeakPolarHBondContact O-CB 3.49Å; L117-Y120 PolarHBondContact O-N 3.31Å; G118-Y120 PolarHBondContact O-N 3.29Å; Y120-S123 PolarHBondContact O-N 3Å; Y120-K124 WeakPolarHBondContact O-CB 3.34Å; Y120-K124 PolarHBondContact O-N 3.41Å
121	V	85.8	Confident	82	Confident	14 Å²	14	86.8 Å²	86.8	9%	0.085	46%	0.464	C	S	.	.	H	α-helix	trans	-65.5	-43.6	179.8	176.3	0	0	0	0	111.6	E85 L117 G118 K124 K125	E85-V121 HydrophobicContact CG-CG2 3.63Å; E85-V121 VanDerWaalsContact OE1-CG1 3.23Å; E85-V121 WeakPolarHBondContact OE1-CG1 3.38Å; E85-V121 WeakPolarHBondContact OE1-CG2 3.41Å; E85-V121 WeakPolarHBondContact OE2-CG2 3.08Å; L117-V121 HydrophobicContact CD1-CG2 4.36Å; L117-V121 HydrophobicContact CG-CG2 4.47Å; L117-V121 VanDerWaalsContact O-CG2 3.22Å; L117-V121 WeakPolarHBondContact O-CG2 3.36Å; L117-V121 PolarHBondContact O-N 3.33Å; G118-V121 PolarHBondContact O-N 3.45Å; V121-K124 PolarHBondContact O-N 3.07Å; V121-K125 HydrophobicContact CG1-CD 4.46Å; V121-K125 WeakPolarHBondContact O-CG 3.38Å; V121-K125 PolarHBondContact O-N 3.15Å
122	C	84.5	Confident	80.4	Confident	84 Å²	84	89 Å²	89	57%	0.568	47%	0.471	S	S	*	.	H	α-helix	trans	-61	-43.6	175.1	-75	0	0	0	0	111.9	G118 A119 K125 K126	G118-C122 WeakPolarHBondContact O-CB 3.23Å; G118-C122 PolarHBondContact O-N 3.24Å; G118-C122 PolarHBondContact O-SG 3.36Å; A119-C122 PolarHBondContact O-N 2.97Å; C122-K125 PolarHBondContact O-N 3.04Å; C122-K126 PolarHBondContact O-N 3.35Å
123	S	84.4	Confident	78.9	Confident	57 Å²	57	86.5 Å²	86.5	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-47.6	175.8	-173.4	0	0	0	0	111.1	A119 Y120 K125 K126 H127	A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-N 3Å; S123-K125 VanDerWaalsContact C-N 3.34Å; S123-K125 PolarHBondContact O-N 3.11Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 2.97Å; S123-K126 VanDerWaalsContact O-N 3.08Å; S123-H127 PolarHBondContact O-CD2 3.4Å; S123-H127 PolarHBondContact O-N 3.13Å
124	K	79.4	Confident	77.3	Confident	119 Å²	119	91 Å²	91	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-59.1	-42.8	178.2	-165.6	-178.6	179	-177.2	0	112.1	Y120 V121 H127 Q128	Y120-K124 WeakPolarHBondContact O-CB 3.34Å; Y120-K124 PolarHBondContact O-N 3.41Å; V121-K124 PolarHBondContact O-N 3.07Å; K124-H127 PolarHBondContact O-N 3.4Å; K124-Q128 PolarHBondContact O-N 3.37Å
125	K	74.2	Confident	76	Confident	139 Å²	139	93.9 Å²	93.9	60%	0.604	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-42.6	173.7	-76.1	178.1	-179.5	170.3	0	112.2	V121 C122 S123 H127 Q128 T129	V121-K125 HydrophobicContact CG1-CD 4.46Å; V121-K125 WeakPolarHBondContact O-CG 3.38Å; V121-K125 PolarHBondContact O-N 3.15Å; C122-K125 PolarHBondContact O-N 3.04Å; S123-K125 VanDerWaalsContact C-N 3.34Å; S123-K125 PolarHBondContact O-N 3.11Å; K125-H127 VanDerWaalsContact C-N 3.3Å; K125-H127 PolarHBondContact O-N 2.95Å; K125-Q128 WeakPolarHBondContact O-CB 3.44Å; K125-Q128 PolarHBondContact O-N 3.34Å; K125-Q128 VanDerWaalsContact O-N 3.13Å; K125-T129 PolarHBondContact O-N 3.01Å; K125-T129 PolarHBondContact O-OG1 3.32Å; K125-T129 VanDerWaalsContact O-OG1 3.11Å
126	K	71	Confident	74.7	Confident	149 Å²	149	92.8 Å²	92.8	65%	0.648	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-39	176.1	-171.8	178.5	-179.3	177.8	0	112	C122 S123 R130	C122-K126 PolarHBondContact O-N 3.35Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 2.97Å; S123-K126 VanDerWaalsContact O-N 3.08Å; K126-R130 WeakPolarHBondContact O-CG 3.44Å; K126-R130 PolarHBondContact O-N 3.28Å
127	H	66.2	Low	73.4	Confident	108 Å²	108	97.6 Å²	97.6	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-66	-39.9	173.8	-71.5	-69.5	0	0	0	112.1	S123 K124 K125 R130 I131	S123-H127 PolarHBondContact O-CD2 3.4Å; S123-H127 PolarHBondContact O-N 3.13Å; K124-H127 PolarHBondContact O-N 3.4Å; K125-H127 VanDerWaalsContact C-N 3.3Å; K125-H127 PolarHBondContact O-N 2.95Å; H127-R130 PolarHBondContact O-N 3.39Å; H127-I131 WeakPolarHBondContact O-CG1 3.49Å; H127-I131 PolarHBondContact O-N 3.49Å
128	Q	63.5	Low	72.1	Confident	107 Å²	107	102.6 Å²	102.6	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-48.2	175.8	-169	62.5	44.1	0	0	111.9	K124 K125 R130 I131 D132	K124-Q128 PolarHBondContact O-N 3.37Å; K125-Q128 WeakPolarHBondContact O-CB 3.44Å; K125-Q128 PolarHBondContact O-N 3.34Å; K125-Q128 VanDerWaalsContact O-N 3.13Å; Q128-R130 VanDerWaalsContact C-N 3.26Å; Q128-R130 PolarHBondContact O-N 3.48Å; Q128-I131 WeakPolarHBondContact O-CB 3.47Å; Q128-I131 PolarHBondContact O-N 3.06Å; Q128-D132 PolarHBondContact O-N 3.19Å
129	T	63.4	Low	70.6	Confident	85 Å²	85	105.8 Å²	105.8	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-60.5	-33.9	178.8	-50.4	0	0	0	0	112.7	K125 I131 D132 T133	K125-T129 PolarHBondContact O-N 3.01Å; K125-T129 PolarHBondContact O-OG1 3.32Å; K125-T129 VanDerWaalsContact O-OG1 3.11Å; T129-I131 VanDerWaalsContact C-N 3.33Å; T129-D132 PolarHBondContact O-N 3.02Å; T129-T133 WeakPolarHBondContact O-CB 3.48Å; T129-T133 PolarHBondContact O-N 3.24Å; T129-T133 PolarHBondContact O-OG1 3.42Å
130	R	61.5	Low	68.6	Low	177 Å²	177	107 Å²	107	67%	0.668	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-38.2	175.3	-75.5	179.4	72.6	175.2	2.9	112	K126 H127 Q128 F134	K126-R130 WeakPolarHBondContact O-CG 3.44Å; K126-R130 PolarHBondContact O-N 3.28Å; H127-R130 PolarHBondContact O-N 3.39Å; Q128-R130 VanDerWaalsContact C-N 3.26Å; Q128-R130 PolarHBondContact O-N 3.48Å; R130-F134 PolarHBondContact O-N 3Å
131	I	63.5	Low	67	Low	86 Å²	86	109.9 Å²	109.9	44%	0.441	57%	0.57	S	S	.	*	H	α-helix	trans	-68.4	-46.8	177.4	-63.8	168.5	0	0	0	109.9	H127 Q128 T129 T133 F134 F135	H127-I131 WeakPolarHBondContact O-CG1 3.49Å; H127-I131 PolarHBondContact O-N 3.49Å; Q128-I131 WeakPolarHBondContact O-CB 3.47Å; Q128-I131 PolarHBondContact O-N 3.06Å; T129-I131 VanDerWaalsContact C-N 3.33Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 3.16Å; I131-F134 WeakPolarHBondContact O-CB 3.32Å; I131-F134 PolarHBondContact O-N 3.17Å; I131-F135 HydrophobicContact CG2-CD2 3.84Å; I131-F135 HydrophobicContact CG2-CE2 3.59Å; I131-F135 WeakPolarHBondContact O-CD2 3.45Å; I131-F135 PolarHBondContact O-N 3.33Å; I131-F135 VanDerWaalsContact O-N 3.16Å
132	D	61.8	Low	66.1	Low	88 Å²	88	114.7 Å²	114.7	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-59.5	-41.4	178.6	-62.5	-30.4	0	0	0	111.8	Q128 T129 F134 F135 S136	Q128-D132 PolarHBondContact O-N 3.19Å; T129-D132 PolarHBondContact O-N 3.02Å; D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.02Å; D132-F135 PolarHBondContact O-N 2.99Å; D132-S136 PolarHBondContact O-N 2.72Å
133	T	63.2	Low	65.1	Low	65 Å²	65	116.3 Å²	116.3	40%	0.399	60%	0.595	S	S	.	*	H	α-helix	trans	-63.9	-34.4	176.3	-51	0	0	0	0	111.9	T129 I131 K137	T129-T133 WeakPolarHBondContact O-CB 3.48Å; T129-T133 PolarHBondContact O-N 3.24Å; T129-T133 PolarHBondContact O-OG1 3.42Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 3.16Å; T133-K137 WeakPolarHBondContact O-CG 3.33Å; T133-K137 PolarHBondContact O-N 3.39Å
134	F	60.7	Low	64	Low	136 Å²	136	119.6 Å²	119.6	60%	0.596	61%	0.606	S	S	*	*	H	α-helix	trans	-67.4	-44.9	179.3	-154.4	-89.1	0	0	0	111.1	R130 I131 D132 K137 Q138	R130-F134 PolarHBondContact O-N 3Å; I131-F134 WeakPolarHBondContact O-CB 3.32Å; I131-F134 PolarHBondContact O-N 3.17Å; D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.02Å; F134-K137 PolarHBondContact O-N 3.39Å; F134-Q138 HydrophobicContact CD1-CG 4.16Å; F134-Q138 HydrophobicContact CE1-CG 4.18Å; F134-Q138 VanDerWaalsContact O-CG 3.32Å; F134-Q138 WeakPolarHBondContact O-CG 3.34Å; F134-Q138 PolarHBondContact O-N 3.2Å
135	F	66.7	Low	63.1	Low	128 Å²	128	119.6 Å²	119.6	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-67.3	-39.2	175.9	-75.1	-73.3	0	0	0	112.5	I131 D132 K137 Q138 C139	I131-F135 HydrophobicContact CG2-CD2 3.84Å; I131-F135 HydrophobicContact CG2-CE2 3.59Å; I131-F135 WeakPolarHBondContact O-CD2 3.45Å; I131-F135 PolarHBondContact O-N 3.33Å; I131-F135 VanDerWaalsContact O-N 3.16Å; D132-F135 PolarHBondContact O-N 2.99Å; F135-K137 VanDerWaalsContact C-N 3.28Å; F135-K137 PolarHBondContact O-N 3.33Å; F135-Q138 PolarHBondContact O-N 3.42Å; F135-C139 WeakPolarHBondContact O-CB 3.34Å; F135-C139 PolarHBondContact O-N 3.42Å; F135-C139 PolarHBondContact O-SG 2.96Å
136	S	66.1	Low	62.5	Low	80 Å²	80	118.4 Å²	118.4	56%	0.559	61%	0.612	S	S	*	*	H	α-helix	trans	-61	-35.8	176.8	174.9	0	0	0	0	113	D132 S140	D132-S136 PolarHBondContact O-N 2.72Å; S136-S140 PolarHBondContact O-N 3.27Å
137	K	67.2	Low	61.9	Low	160 Å²	160	116.4 Å²	116.4	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-74.1	-37.2	176.3	-73.7	-177.4	178.9	-175	0	113.3	T133 F134 F135 C139	T133-K137 WeakPolarHBondContact O-CG 3.33Å; T133-K137 PolarHBondContact O-N 3.39Å; F134-K137 PolarHBondContact O-N 3.39Å; F135-K137 VanDerWaalsContact C-N 3.28Å; F135-K137 PolarHBondContact O-N 3.33Å; K137-C139 VanDerWaalsContact C-N 3.33Å
138	Q	62.2	Low	61.6	Low	140 Å²	140	117 Å²	117	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-75.1	-24	178.7	-65.9	-74.2	-2.5	0	0	112.5	F134 F135	F134-Q138 HydrophobicContact CD1-CG 4.16Å; F134-Q138 HydrophobicContact CE1-CG 4.18Å; F134-Q138 VanDerWaalsContact O-CG 3.32Å; F134-Q138 WeakPolarHBondContact O-CG 3.34Å; F134-Q138 PolarHBondContact O-N 3.2Å; F135-Q138 PolarHBondContact O-N 3.42Å
139	C	58.5	Low	61.4	Low	102 Å²	102	117.8 Å²	117.8	69%	0.689	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	3.6	178.8	-67.3	0	0	0	0	114.3	F135 K137 P141	F135-C139 WeakPolarHBondContact O-CB 3.34Å; F135-C139 PolarHBondContact O-N 3.42Å; F135-C139 PolarHBondContact O-SG 2.96Å; K137-C139 VanDerWaalsContact C-N 3.33Å; C139-P141 WeakPolarHBondContact O-CD 3.37Å
140	S	50.1	Low	61.3	Low	86 Å²	86	120.5 Å²	120.5	60%	0.601	64%	0.635	S	S	*	*			trans	-84.2	114.6	166.1	-79.9	0	0	0	0	109	S136	S136-S140 PolarHBondContact O-N 3.27Å
141	P	53.7	Low	61.3	Low	198 Å²	198	115.4 Å²	115.4	100%	1.286	63%	0.632	S	S	*	*			trans	-66.3	0	-179.2	28.6	-34.9	0	0	0	113.5	C139	C139-P141 WeakPolarHBondContact O-CD 3.37Å

Retrieved 141 of 141 residues in 215.9 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).