A0A077YVJ9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YVJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

						>A0A077YVJ9_TRITR|A0A077YVJ9
MREWDPYKFNQTKKSSRKKAKRNFSYLSPTIQSADMRNPAIFVTMATILLTIFNDFSIDALPDKDKSLPTNNEQGAEKMLSLQTSKQAAENSKAKRSLFMTVFDDLRLVEELKKLKTTPSP
					

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	50.6	Low	57.3	Low	253 Å²	253	179 Å²	179	100%	1.246	81%	0.807	S	S	*	*				0	125.2	0	-75.5	164.8	162.9	0	0	107.3
2	R	62.6	Low	56.5	Low	256 Å²	256	175.4 Å²	175.4	97%	0.966	81%	0.809	S	S	*	*			trans	-94	109.2	-179.2	-131	-177.7	-77.1	-176	-3.1	107.1	W4	R2-W4 PolarHBondContact O-N 3.11Å
3	E	64	Low	55.9	Low	191 Å²	191	178 Å²	178	89%	0.893	82%	0.817	S	S	*	*			trans	-65.1	124.4	-175.5	-154.3	165.3	-161	0	0	109.7
4	W	58.3	Low	55.2	Low	223 Å²	223	179.6 Å²	179.6	85%	0.845	82%	0.82	S	S	*	*			trans	-92.5	111.9	-176.6	-169.7	86.5	0	0	0	108.8	R2 P6	R2-W4 PolarHBondContact O-N 3.11Å; W4-P6 HydrophobicContact CE3-CB 4.33Å; W4-P6 HydrophobicContact CH2-CB 4.27Å; W4-P6 HydrophobicContact CZ3-CB 3.72Å; W4-P6 HydrophobicContact CZ3-CG 4.44Å; W4-P6 WeakPolarHBondContact O-CD 3.44Å
5	D	71.6	Confident	54.8	Low	108 Å²	108	174.3 Å²	174.3	58%	0.578	81%	0.813	S	S	*	*			trans	-105.7	105.4	-171.3	-152.9	-5.8	0	0	0	110.4	Y7	D5-Y7 PolarHBondContact O-N 3.46Å; D5-Y7 VanDerWaalsContact O-N 3.11Å
6	P	61.8	Low	54.3	Low	68 Å²	68	169.8 Å²	169.8	44%	0.442	81%	0.806	S	S	.	*	G	3₁₀ helix	trans	-67.7	-12.3	-169.5	23.4	-32.1	0	0	0	114.5	W4	W4-P6 HydrophobicContact CE3-CB 4.33Å; W4-P6 HydrophobicContact CH2-CB 4.27Å; W4-P6 HydrophobicContact CZ3-CB 3.72Å; W4-P6 HydrophobicContact CZ3-CG 4.44Å; W4-P6 WeakPolarHBondContact O-CD 3.44Å
7	Y	59.1	Low	54	Low	193 Å²	193	173.6 Å²	173.6	76%	0.757	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-84.4	-10.9	-174.6	-68.9	-80.5	0	0	0	114.6	D5	D5-Y7 PolarHBondContact O-N 3.46Å; D5-Y7 VanDerWaalsContact O-N 3.11Å
8	K	55.3	Low	53.8	Low	184 Å²	184	174.1 Å²	174.1	80%	0.8	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-80.5	-14.1	179.6	-92.8	-173.7	178	176.7	0	115.1
9	F	55.5	Low	53.8	Low	189 Å²	189	175.3 Å²	175.3	83%	0.829	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-82.5	-13.8	-175.5	-156.6	-102.9	0	0	0	114.5
10	N	46.3	Very low	53.7	Low	143 Å²	143	170.8 Å²	170.8	77%	0.765	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-95.1	4.5	-172.6	-79.5	-19	0	0	0	115.5
11	Q	45.7	Very low	53.6	Low	161 Å²	161	171.3 Å²	171.3	75%	0.752	81%	0.806	S	S	*	*	S	Bend	trans	-116	84	178.3	-65.6	-155	55.3	0	0	111.7
12	T	46.8	Very low	53.6	Low	136 Å²	136	168 Å²	168	83%	0.834	78%	0.78	S	S	*	*			trans	168.6	53.1	142.5	43.1	0	0	0	0	111.8
13	K	49.1	Very low	52.8	Low	209 Å²	209	162.4 Å²	162.4	91%	0.909	77%	0.769	S	S	*	*			trans	-117.7	45.8	157	-72.7	-173.5	-179.4	176.5	0	110.5	S15	K13-S15 VanDerWaalsContact C-N 3.25Å; K13-S15 PolarHBondContact O-N 2.92Å
14	K	47	Very low	51.9	Low	200 Å²	200	158.2 Å²	158.2	87%	0.87	75%	0.748	S	S	*	*			trans	-72.9	86.4	167.5	-82.1	-173.6	177.9	177.1	0	109.3	S16	K14-S16 PolarHBondContact O-N 3.21Å
15	S	48.2	Very low	51.4	Low	101 Å²	101	152.5 Å²	152.5	71%	0.706	74%	0.743	S	S	*	*			trans	15.3	88.8	137.3	65.8	0	0	0	0	116.7	K13	K13-S15 VanDerWaalsContact C-N 3.25Å; K13-S15 PolarHBondContact O-N 2.92Å
16	S	47.8	Very low	50.5	Low	102 Å²	102	155.4 Å²	155.4	71%	0.713	75%	0.746	S	S	*	*			trans	-102.1	68.7	151.1	-148.8	0	0	0	0	108.1	K14 K18	K14-S16 PolarHBondContact O-N 3.21Å; S16-K18 PolarHBondContact O-N 3.22Å
17	R	47.9	Very low	49.7	Very low	234 Å²	234	157.3 Å²	157.3	88%	0.883	75%	0.753	S	S	*	*			trans	-72.6	71.2	162.6	-78.4	-175.5	-179.6	173.8	1.1	107.1	K19	R17-K19 VanDerWaalsContact C-N 3.27Å; R17-K19 PolarHBondContact O-N 3.23Å
18	K	51.8	Low	48.9	Very low	183 Å²	183	151.2 Å²	151.2	80%	0.796	74%	0.738	S	S	*	*			trans	-60.6	102.3	159.6	-76.2	-174.7	179	179.9	0	104.9	S16 A20	S16-K18 PolarHBondContact O-N 3.22Å; K18-A20 PolarHBondContact O-N 3.11Å
19	K	53.8	Low	48.6	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	73%	0.73	S	S	*	*			trans	-55.9	96.8	168.6	-73.7	-178.6	176.8	-179.8	0	105.7	R17 K21	R17-K19 VanDerWaalsContact C-N 3.27Å; R17-K19 PolarHBondContact O-N 3.23Å; K19-K21 PolarHBondContact O-N 3.03Å
20	A	51.7	Low	48.1	Very low	85 Å²	85	143.4 Å²	143.4	70%	0.702	72%	0.723	S	S	*	*			trans	-61.8	96.7	164.8	0	0	0	0	0	104.8	K18 R22	K18-A20 PolarHBondContact O-N 3.11Å; A20-R22 PolarHBondContact O-N 3.36Å
21	K	52	Low	48.1	Very low	182 Å²	182	141 Å²	141	79%	0.791	71%	0.709	S	S	*	*			trans	-60.4	91	159.8	-75.8	-177.2	176.6	-176.8	0	104.2	K19 N23	K19-K21 PolarHBondContact O-N 3.03Å; K21-N23 PolarHBondContact O-N 2.96Å
22	R	48.8	Very low	48	Very low	182 Å²	182	141.6 Å²	141.6	69%	0.687	71%	0.712	S	S	*	*			trans	-63.6	89	166.4	-80.7	-177.9	162.2	168.1	-7.4	104.9	A20 F24	A20-R22 PolarHBondContact O-N 3.36Å; R22-F24 HydrophobicContact CB-CD2 4.07Å; R22-F24 HydrophobicContact CB-CE2 3.79Å; R22-F24 HydrophobicContact CB-CZ 4.11Å; R22-F24 PolarHBondContact O-N 3.17Å
23	N	46	Very low	47.9	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	71%	0.708	S	S	*	*			trans	-65.6	88.8	164.4	-71.9	-18.7	0	0	0	105.2	K21 S25	K21-N23 PolarHBondContact O-N 2.96Å; N23-S25 PolarHBondContact O-N 2.79Å
24	F	45.8	Very low	47.9	Very low	102 Å²	102	132.2 Å²	132.2	45%	0.447	68%	0.681	S	S	.	*			trans	-69.6	80.9	167.8	-71.2	-66.3	0	0	0	107.1	R22 Y26 L27	R22-F24 HydrophobicContact CB-CD2 4.07Å; R22-F24 HydrophobicContact CB-CE2 3.79Å; R22-F24 HydrophobicContact CB-CZ 4.11Å; R22-F24 PolarHBondContact O-N 3.17Å; F24-Y26 HydrophobicContact CB-CD1 4.37Å; F24-Y26 HydrophobicContact CB-CE1 3.95Å; F24-Y26 HydrophobicContact CB-CE2 4.41Å; F24-Y26 HydrophobicContact CD1-CD1 4.34Å; F24-Y26 AromaticContact CD1-CE1 3.31Å; F24-Y26 HydrophobicContact CD1-CE1 3.31Å; F24-Y26 AromaticContact CD1-CZ 3.46Å; F24-Y26 VanDerWaalsContact CD1-CZ 3.46Å; F24-Y26 WeakPolarHBondContact CD1-OH 3.35Å; F24-Y26 HydrophobicContact CE1-CE1 4.11Å; F24-Y26 WeakPolarHBondContact CE1-OH 3.13Å; F24-Y26 HydrophobicContact CG-CE1 4.04Å; F24-Y26 AromaticContact CG-CZ 3.95Å; F24-Y26 PolarHBondContact O-N 2.9Å; F24-L27 HydrophobicContact CB-CD1 4.36Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L27 VanDerWaalsContact O-N 3.11Å
25	S	46.8	Very low	48	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-65	-7.2	-176.2	-160.7	0	0	0	0	113.4	N23	N23-S25 PolarHBondContact O-N 2.79Å
26	Y	53.1	Low	48.2	Very low	168 Å²	168	124.6 Å²	124.6	66%	0.659	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-83.6	-11.3	174.7	60.5	-104.3	0	0	0	113.6	F24 S28	F24-Y26 HydrophobicContact CB-CD1 4.37Å; F24-Y26 HydrophobicContact CB-CE1 3.95Å; F24-Y26 HydrophobicContact CB-CE2 4.41Å; F24-Y26 HydrophobicContact CD1-CD1 4.34Å; F24-Y26 AromaticContact CD1-CE1 3.31Å; F24-Y26 HydrophobicContact CD1-CE1 3.31Å; F24-Y26 AromaticContact CD1-CZ 3.46Å; F24-Y26 VanDerWaalsContact CD1-CZ 3.46Å; F24-Y26 WeakPolarHBondContact CD1-OH 3.35Å; F24-Y26 HydrophobicContact CE1-CE1 4.11Å; F24-Y26 WeakPolarHBondContact CE1-OH 3.13Å; F24-Y26 HydrophobicContact CG-CE1 4.04Å; F24-Y26 AromaticContact CG-CZ 3.95Å; F24-Y26 PolarHBondContact O-N 2.9Å; Y26-S28 VanDerWaalsContact C-N 3.29Å
27	L	45.8	Very low	48.5	Very low	109 Å²	109	128.3 Å²	128.3	57%	0.571	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-96	26.8	173.3	-75.7	162.4	0	0	0	112	F24 L98	F24-L27 HydrophobicContact CB-CD1 4.36Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L27 VanDerWaalsContact O-N 3.11Å; L27-L98 HydrophobicContact CD2-CD1 4.43Å
28	S	42.8	Very low	49.1	Very low	64 Å²	64	121.1 Å²	121.1	45%	0.448	62%	0.618	S	S	.	*			trans	-52.4	128.9	164	177.9	0	0	0	0	108.2	Y26 T30	Y26-S28 VanDerWaalsContact C-N 3.29Å; S28-T30 WeakPolarHBondContact CB-OG1 3.17Å; S28-T30 PolarHBondContact O-N 2.84Å; S28-T30 PolarHBondContact OG-OG1 3.03Å
29	P	48.3	Very low	49.4	Very low	98 Å²	98	117 Å²	117	64%	0.636	61%	0.61	S	S	*	*	S	Bend	trans	-71.5	36.6	176.1	31.6	-33.8	0	0	0	111.6	I31 Q32	P29-I31 PolarHBondContact O-N 2.87Å; P29-I31 VanDerWaalsContact O-N 3.15Å; P29-Q32 VanDerWaalsContact O-CB 3.29Å; P29-Q32 WeakPolarHBondContact O-CB 3.26Å; P29-Q32 PolarHBondContact O-N 3.39Å
30	T	45.4	Very low	50	Low	112 Å²	112	110 Å²	110	69%	0.687	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-67.6	-6	172.6	-29.9	0	0	0	0	112.1	S28 Q32	S28-T30 WeakPolarHBondContact CB-OG1 3.17Å; S28-T30 PolarHBondContact O-N 2.84Å; S28-T30 PolarHBondContact OG-OG1 3.03Å; T30-Q32 PolarHBondContact O-N 3.46Å; T30-Q32 VanDerWaalsContact O-N 3.15Å
31	I	45.7	Very low	50.6	Low	92 Å²	92	108 Å²	108	47%	0.472	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-74	13.7	162.7	-43.1	172.6	0	0	0	110.4	P29 S33 A34 M45	P29-I31 PolarHBondContact O-N 2.87Å; P29-I31 VanDerWaalsContact O-N 3.15Å; I31-S33 PolarHBondContact O-N 3.46Å; I31-A34 HydrophobicContact CG2-CB 4.39Å; I31-M45 HydrophobicContact CD1-CE 4.1Å
32	Q	43.1	Very low	51.1	Low	174 Å²	174	103.1 Å²	103.1	81%	0.813	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-57.8	-15.5	176.3	-124.5	177.3	6.1	0	0	114.5	P29 T30	P29-Q32 VanDerWaalsContact O-CB 3.29Å; P29-Q32 WeakPolarHBondContact O-CB 3.26Å; P29-Q32 PolarHBondContact O-N 3.39Å; T30-Q32 PolarHBondContact O-N 3.46Å; T30-Q32 VanDerWaalsContact O-N 3.15Å
33	S	44.9	Very low	52	Low	108 Å²	108	98.7 Å²	98.7	76%	0.755	54%	0.538	S	S	*	.	S	Bend	trans	-172.7	43.2	173	55.4	0	0	0	0	112	I31 D35	I31-S33 PolarHBondContact O-N 3.46Å; S33-D35 PolarHBondContact O-N 3.01Å; S33-D35 VanDerWaalsContact O-N 3.1Å
34	A	49.6	Very low	53.1	Low	39 Å²	39	95.6 Å²	95.6	32%	0.322	52%	0.524	S	S	.	.			trans	-60.1	120.4	161.3	0	0	0	0	0	105.7	I31 M36 I41	I31-A34 HydrophobicContact CG2-CB 4.39Å; A34-M36 VanDerWaalsContact C-N 3.25Å; A34-M36 WeakPolarHBondContact O-CG 3.21Å; A34-M36 PolarHBondContact O-N 2.8Å; A34-I41 HydrophobicContact CB-CD1 4.06Å
35	D	49.5	Very low	54	Low	97 Å²	97	92 Å²	92	52%	0.519	51%	0.509	S	S	.	.			trans	-62.6	92.9	-179.1	-166.9	3.5	0	0	0	108.3	S33 R37 N38	S33-D35 PolarHBondContact O-N 3.01Å; S33-D35 VanDerWaalsContact O-N 3.1Å; D35-R37 PolarHBondContact O-N 3.14Å; D35-R37 WeakPolarHBondContact OD1-CB 3.31Å; D35-R37 WeakPolarHBondContact OD1-CD 3.11Å; D35-R37 WeakPolarHBondContact OD1-CG 3.46Å; D35-R37 PolarHBondContact OD1-N 3.06Å; D35-R37 IonicContact OD1-NE 2.73Å; D35-R37 PolarHBondContact OD1-NE 2.95Å; D35-N38 PolarHBondContact O-N 3.44Å
36	M	51.3	Low	54.9	Low	45 Å²	45	89 Å²	89	22%	0.222	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	0.3	-178.7	-67.3	-67.9	-127.4	0	0	112.1	A34 N38 I41 D105 V109	A34-M36 VanDerWaalsContact C-N 3.25Å; A34-M36 WeakPolarHBondContact O-CG 3.21Å; A34-M36 PolarHBondContact O-N 2.8Å; M36-N38 PolarHBondContact O-N 2.84Å; M36-I41 HydrophobicContact SD-CG2 3.57Å; M36-I41 VanDerWaalsContact SD-CG2 3.57Å; M36-D105 HydrophobicContact CE-CB 4.34Å; M36-V109 HydrophobicContact CB-CG2 3.67Å; M36-V109 HydrophobicContact CE-CG2 3.96Å; M36-V109 HydrophobicContact CG-CG2 3.77Å; M36-V109 HydrophobicContact SD-CG2 4.39Å
37	R	54	Low	55.6	Low	180 Å²	180	84.5 Å²	84.5	68%	0.679	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.9	166.7	-66.2	176.4	-163.3	-164.8	4.1	112.6	D35 P39	D35-R37 PolarHBondContact O-N 3.14Å; D35-R37 WeakPolarHBondContact OD1-CB 3.31Å; D35-R37 WeakPolarHBondContact OD1-CD 3.11Å; D35-R37 WeakPolarHBondContact OD1-CG 3.46Å; D35-R37 PolarHBondContact OD1-N 3.06Å; D35-R37 IonicContact OD1-NE 2.73Å; D35-R37 PolarHBondContact OD1-NE 2.95Å; R37-P39 WeakPolarHBondContact O-CD 3.38Å
38	N	60.7	Low	56.8	Low	82 Å²	82	82.6 Å²	82.6	44%	0.439	47%	0.47	S	S	.	.	S	Bend	trans	-72.3	112.8	177.8	-168.5	-16.9	0	0	0	109.3	D35 M36 A40 I41 F42	D35-N38 PolarHBondContact O-N 3.44Å; M36-N38 PolarHBondContact O-N 2.84Å; N38-A40 PolarHBondContact O-N 3.41Å; N38-A40 VanDerWaalsContact OD1-CB 3.23Å; N38-A40 WeakPolarHBondContact OD1-CB 3.31Å; N38-A40 PolarHBondContact OD1-N 3.17Å; N38-I41 HydrophobicContact CB-CD1 4.04Å; N38-I41 HydrophobicContact CB-CG1 4.16Å; N38-I41 PolarHBondContact O-N 2.94Å; N38-F42 PolarHBondContact O-N 3.09Å
39	P	58.9	Low	58	Low	96 Å²	96	80.5 Å²	80.5	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-57.2	-25.6	178.4	24.9	-34.8	0	0	0	112	R37 I41 F42 V43	R37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-I41 VanDerWaalsContact C-N 3.33Å; P39-I41 PolarHBondContact O-N 2.93Å; P39-F42 PolarHBondContact O-N 2.79Å; P39-V43 VanDerWaalsContact O-CG2 3.3Å; P39-V43 WeakPolarHBondContact O-CG2 3.26Å; P39-V43 PolarHBondContact O-N 3.35Å
40	A	66.2	Low	59.1	Low	51 Å²	51	80.7 Å²	80.7	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-41.3	173.8	0	0	0	0	0	112.1	N38 V43 T44	N38-A40 PolarHBondContact O-N 3.41Å; N38-A40 VanDerWaalsContact OD1-CB 3.23Å; N38-A40 WeakPolarHBondContact OD1-CB 3.31Å; N38-A40 PolarHBondContact OD1-N 3.17Å; A40-V43 PolarHBondContact O-N 2.68Å; A40-T44 WeakPolarHBondContact O-CB 3.27Å; A40-T44 PolarHBondContact O-N 3.26Å; A40-T44 PolarHBondContact O-OG1 3.03Å
41	I	63.5	Low	60	Low	42 Å²	42	79 Å²	79	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-66.9	-42.9	178.5	-61.9	169.7	0	0	0	110.2	A34 M36 N38 P39 V43 T44 M45	A34-I41 HydrophobicContact CB-CD1 4.06Å; M36-I41 HydrophobicContact SD-CG2 3.57Å; M36-I41 VanDerWaalsContact SD-CG2 3.57Å; N38-I41 HydrophobicContact CB-CD1 4.04Å; N38-I41 HydrophobicContact CB-CG1 4.16Å; N38-I41 PolarHBondContact O-N 2.94Å; P39-I41 VanDerWaalsContact C-N 3.33Å; P39-I41 PolarHBondContact O-N 2.93Å; I41-V43 PolarHBondContact O-N 2.83Å; I41-T44 PolarHBondContact O-N 2.79Å; I41-M45 HydrophobicContact CG2-CG 4.39Å; I41-M45 WeakPolarHBondContact O-CG 3.37Å; I41-M45 PolarHBondContact O-N 2.77Å
42	F	63.6	Low	60.9	Low	80 Å²	80	75.4 Å²	75.4	35%	0.351	42%	0.42	S	S	.	.	H	α-helix	trans	-60	-46.4	176	-175.3	-90.7	0	0	0	111.9	N38 P39 T44 M45 A46 L106 V109	N38-F42 PolarHBondContact O-N 3.09Å; P39-F42 PolarHBondContact O-N 2.79Å; F42-T44 VanDerWaalsContact C-N 3.31Å; F42-T44 PolarHBondContact O-N 3.06Å; F42-M45 PolarHBondContact O-N 2.9Å; F42-A46 WeakPolarHBondContact O-CB 3.36Å; F42-A46 PolarHBondContact O-N 2.78Å; F42-L106 HydrophobicContact CD2-CD2 3.63Å; F42-L106 HydrophobicContact CE2-CD2 3.57Å; F42-L106 HydrophobicContact CG-CD2 4.5Å; F42-L106 HydrophobicContact CZ-CD2 4.37Å; F42-V109 HydrophobicContact CD2-CG1 4.45Å
43	V	66.5	Low	61.8	Low	90 Å²	90	72.6 Å²	72.6	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.1	171.7	0	0	0	0	110.3	P39 A40 I41 M45 A46 T47	P39-V43 VanDerWaalsContact O-CG2 3.3Å; P39-V43 WeakPolarHBondContact O-CG2 3.26Å; P39-V43 PolarHBondContact O-N 3.35Å; A40-V43 PolarHBondContact O-N 2.68Å; I41-V43 PolarHBondContact O-N 2.83Å; V43-M45 PolarHBondContact O-N 2.84Å; V43-A46 PolarHBondContact O-N 3.35Å; V43-T47 PolarHBondContact O-N 3.29Å; V43-T47 PolarHBondContact O-OG1 2.82Å
44	T	70.4	Confident	62.5	Low	75 Å²	75	71.7 Å²	71.7	46%	0.46	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-43.7	179.9	-46.5	0	0	0	0	111.1	A40 I41 F42 T47 I48	A40-T44 WeakPolarHBondContact O-CB 3.27Å; A40-T44 PolarHBondContact O-N 3.26Å; A40-T44 PolarHBondContact O-OG1 3.03Å; I41-T44 PolarHBondContact O-N 2.79Å; F42-T44 VanDerWaalsContact C-N 3.31Å; F42-T44 PolarHBondContact O-N 3.06Å; T44-T47 WeakPolarHBondContact CA-OG1 3.37Å; T44-T47 PolarHBondContact O-N 2.87Å; T44-T47 PolarHBondContact O-OG1 2.88Å; T44-I48 HydrophobicContact CG2-CD1 4.22Å; T44-I48 VanDerWaalsContact O-CG1 3.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.43Å
45	M	63.8	Low	63	Low	27 Å²	27	73.8 Å²	73.8	13%	0.133	40%	0.398	C	S	.	.	H	α-helix	trans	-65.7	-40.6	176.2	-69.3	-60.8	176.5	0	0	112.2	I31 I41 F42 V43 T47 I48 L49 V102 L106	I31-M45 HydrophobicContact CD1-CE 4.1Å; I41-M45 HydrophobicContact CG2-CG 4.39Å; I41-M45 WeakPolarHBondContact O-CG 3.37Å; I41-M45 PolarHBondContact O-N 2.77Å; F42-M45 PolarHBondContact O-N 2.9Å; V43-M45 PolarHBondContact O-N 2.84Å; M45-T47 VanDerWaalsContact C-N 3.34Å; M45-T47 PolarHBondContact O-N 3.47Å; M45-I48 PolarHBondContact O-N 3.42Å; M45-I48 HydrophobicContact SD-CD1 4.13Å; M45-L49 PolarHBondContact O-N 3.44Å; M45-V102 HydrophobicContact CB-CG1 4.16Å; M45-V102 HydrophobicContact SD-CG1 4.24Å; M45-L106 HydrophobicContact CB-CD2 4.14Å
46	A	66.4	Low	63.1	Low	41 Å²	41	71 Å²	71	34%	0.339	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-38.1	174.6	0	0	0	0	0	112.2	F42 V43 L49 L50	F42-A46 WeakPolarHBondContact O-CB 3.36Å; F42-A46 PolarHBondContact O-N 2.78Å; V43-A46 PolarHBondContact O-N 3.35Å; A46-L49 PolarHBondContact O-N 3.48Å; A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 2.88Å
47	T	67.9	Low	63.1	Low	73 Å²	73	72 Å²	72	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-67.7	-40.7	174.2	6.9	0	0	0	0	111.2	V43 T44 M45 L49 L50 T51	V43-T47 PolarHBondContact O-N 3.29Å; V43-T47 PolarHBondContact O-OG1 2.82Å; T44-T47 WeakPolarHBondContact CA-OG1 3.37Å; T44-T47 PolarHBondContact O-N 2.87Å; T44-T47 PolarHBondContact O-OG1 2.88Å; M45-T47 VanDerWaalsContact C-N 3.34Å; M45-T47 PolarHBondContact O-N 3.47Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.4Å; T47-L50 PolarHBondContact O-N 2.97Å; T47-T51 WeakPolarHBondContact O-CB 3.36Å; T47-T51 PolarHBondContact O-N 3.19Å; T47-T51 PolarHBondContact O-OG1 3.46Å
48	I	70.4	Confident	62.8	Low	68 Å²	68	69.8 Å²	69.8	35%	0.349	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-45.8	173.8	-70.1	163.2	0	0	0	110.4	T44 M45 L50 T51 I52	T44-I48 HydrophobicContact CG2-CD1 4.22Å; T44-I48 VanDerWaalsContact O-CG1 3.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 3.43Å; M45-I48 PolarHBondContact O-N 3.42Å; M45-I48 HydrophobicContact SD-CD1 4.13Å; I48-L50 PolarHBondContact O-N 2.76Å; I48-T51 PolarHBondContact O-N 2.97Å; I48-I52 HydrophobicContact CG2-CD1 3.69Å; I48-I52 HydrophobicContact CG2-CG1 4.44Å; I48-I52 WeakPolarHBondContact O-CB 2.97Å; I48-I52 WeakPolarHBondContact O-CD1 3.17Å; I48-I52 WeakPolarHBondContact O-CG1 3.32Å; I48-I52 PolarHBondContact O-N 2.86Å
49	L	67.9	Low	62.2	Low	20 Å²	20	71.7 Å²	71.7	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.3	-76.7	179.2	0	0	0	112.8	M45 A46 T47 I52 F53 F99 V102 L106	M45-L49 PolarHBondContact O-N 3.44Å; A46-L49 PolarHBondContact O-N 3.48Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.4Å; L49-I52 PolarHBondContact O-N 2.81Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 PolarHBondContact O-N 3.31Å; L49-F99 HydrophobicContact CD2-CD2 3.55Å; L49-F99 HydrophobicContact CD2-CE2 3.9Å; L49-F99 HydrophobicContact CD2-CG 4.24Å; L49-V102 HydrophobicContact CD1-CG1 3.89Å; L49-V102 HydrophobicContact CD2-CB 3.7Å; L49-V102 HydrophobicContact CD2-CG1 3.73Å; L49-V102 HydrophobicContact CG-CB 4.13Å; L49-V102 HydrophobicContact CG-CG1 3.55Å; L49-L106 HydrophobicContact CD1-CD1 3.31Å; L49-L106 HydrophobicContact CD1-CG 4.46Å
50	L	70.5	Confident	61.6	Low	102 Å²	102	70 Å²	70	53%	0.534	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-43.1	179.1	-173.1	66.8	0	0	0	111.3	A46 T47 I48 F53 N54	A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 2.88Å; T47-L50 PolarHBondContact O-N 2.97Å; I48-L50 PolarHBondContact O-N 2.76Å; L50-F53 PolarHBondContact O-N 2.93Å; L50-F53 VanDerWaalsContact O-N 3.17Å; L50-N54 PolarHBondContact O-N 2.85Å
51	T	66.2	Low	60.5	Low	76 Å²	76	74.2 Å²	74.2	47%	0.466	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.3	-54.4	0	0	0	0	110.8	T47 I48 F53 N54 D55	T47-T51 WeakPolarHBondContact O-CB 3.36Å; T47-T51 PolarHBondContact O-N 3.19Å; T47-T51 PolarHBondContact O-OG1 3.46Å; I48-T51 PolarHBondContact O-N 2.97Å; T51-F53 VanDerWaalsContact C-N 3.29Å; T51-F53 PolarHBondContact O-N 3.43Å; T51-N54 PolarHBondContact O-N 2.97Å; T51-D55 WeakPolarHBondContact O-CB 3.22Å; T51-D55 PolarHBondContact O-N 3.28Å
52	I	63.3	Low	59.6	Low	17 Å²	17	76.7 Å²	76.7	9%	0.087	43%	0.431	C	S	.	.	H	α-helix	trans	-58.4	-43.3	173.6	-70	163.5	0	0	0	110.3	I48 L49 D55 F56 L98 F99	I48-I52 HydrophobicContact CG2-CD1 3.69Å; I48-I52 HydrophobicContact CG2-CG1 4.44Å; I48-I52 WeakPolarHBondContact O-CB 2.97Å; I48-I52 WeakPolarHBondContact O-CD1 3.17Å; I48-I52 WeakPolarHBondContact O-CG1 3.32Å; I48-I52 PolarHBondContact O-N 2.86Å; L49-I52 PolarHBondContact O-N 2.81Å; I52-D55 PolarHBondContact O-N 3.37Å; I52-F56 HydrophobicContact CG2-CD2 3.58Å; I52-F56 HydrophobicContact CG2-CE2 3.75Å; I52-F56 VanDerWaalsContact O-CB 3.32Å; I52-F56 WeakPolarHBondContact O-CB 3.36Å; I52-F56 VanDerWaalsContact O-CD2 3.25Å; I52-F56 WeakPolarHBondContact O-CD2 3.19Å; I52-F56 PolarHBondContact O-N 3.1Å; I52-L98 HydrophobicContact CD1-CD2 3.6Å; I52-L98 HydrophobicContact CD1-CG 3.92Å; I52-L98 HydrophobicContact CG1-CD2 4.38Å; I52-F99 HydrophobicContact CG2-CB 4.36Å
53	F	62.7	Low	58.6	Low	115 Å²	115	77.4 Å²	77.4	50%	0.504	44%	0.438	S	S	.	.	H	α-helix	trans	-68.7	-39.7	-179.5	-155.1	-89.6	0	0	0	113	L49 L50 T51 F56 S57 F99	L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 PolarHBondContact O-N 3.31Å; L50-F53 PolarHBondContact O-N 2.93Å; L50-F53 VanDerWaalsContact O-N 3.17Å; T51-F53 VanDerWaalsContact C-N 3.29Å; T51-F53 PolarHBondContact O-N 3.43Å; F53-F56 WeakPolarHBondContact O-CB 3.41Å; F53-F56 PolarHBondContact O-N 3.38Å; F53-S57 WeakPolarHBondContact O-CB 3.35Å; F53-S57 PolarHBondContact O-N 2.84Å; F53-S57 PolarHBondContact O-OG 3.11Å; F53-F99 HydrophobicContact CD2-CE2 4.43Å
54	N	60.3	Low	57.8	Low	90 Å²	90	82.2 Å²	82.2	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-63.1	-45.9	172.9	-80.2	-12.4	0	0	0	110.9	L50 T51 F56 S57 I58	L50-N54 PolarHBondContact O-N 2.85Å; T51-N54 PolarHBondContact O-N 2.97Å; N54-F56 PolarHBondContact O-N 2.81Å; N54-S57 PolarHBondContact O-N 3.04Å; N54-I58 WeakPolarHBondContact O-CG1 3.42Å; N54-I58 PolarHBondContact O-N 2.88Å
55	D	59.1	Low	56.6	Low	83 Å²	83	85.8 Å²	85.8	44%	0.444	47%	0.468	S	S	.	.	H	α-helix	trans	-67.4	-20.5	175.4	-75	-3	0	0	0	113	T51 I52 K95	T51-D55 WeakPolarHBondContact O-CB 3.22Å; T51-D55 PolarHBondContact O-N 3.28Å; I52-D55 PolarHBondContact O-N 3.37Å; D55-K95 PolarHBondContact O-NZ 2.93Å; D55-K95 VanDerWaalsContact O-NZ 3.17Å
56	F	51.1	Low	55.8	Low	39 Å²	39	92 Å²	92	17%	0.171	49%	0.494	C	S	.	.	H	α-helix	trans	-82.6	-40.6	174.2	-106.6	-70.6	0	0	0	112.6	I52 F53 N54 I58 A60 S92 K95 R96	I52-F56 HydrophobicContact CG2-CD2 3.58Å; I52-F56 HydrophobicContact CG2-CE2 3.75Å; I52-F56 VanDerWaalsContact O-CB 3.32Å; I52-F56 WeakPolarHBondContact O-CB 3.36Å; I52-F56 VanDerWaalsContact O-CD2 3.25Å; I52-F56 WeakPolarHBondContact O-CD2 3.19Å; I52-F56 PolarHBondContact O-N 3.1Å; F53-F56 WeakPolarHBondContact O-CB 3.41Å; F53-F56 PolarHBondContact O-N 3.38Å; N54-F56 PolarHBondContact O-N 2.81Å; F56-I58 PolarHBondContact O-N 3.04Å; F56-A60 WeakPolarHBondContact O-CB 3.24Å; F56-A60 PolarHBondContact O-N 3.31Å; F56-S92 VanDerWaalsContact CZ-O 3.28Å; F56-S92 WeakPolarHBondContact CZ-O 3.28Å; F56-K95 HydrophobicContact CD2-CB 3.99Å; F56-K95 HydrophobicContact CD2-CD 4.29Å; F56-K95 HydrophobicContact CE1-CB 4.32Å; F56-K95 VanDerWaalsContact CE2-C 3.43Å; F56-K95 HydrophobicContact CE2-CB 3.14Å; F56-K95 HydrophobicContact CE2-CD 4.21Å; F56-K95 HydrophobicContact CE2-CG 4.3Å; F56-K95 HydrophobicContact CZ-CB 3.34Å; F56-K95 HydrophobicContact CZ-CD 4.45Å; F56-R96 HydrophobicContact CZ-CB 3.91Å; F56-R96 VanDerWaalsContact CZ-N 3.28Å
57	S	52.2	Low	54.7	Low	64 Å²	64	94.7 Å²	94.7	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-23.4	-175.1	-61.8	0	0	0	0	112.1	F53 N54	F53-S57 WeakPolarHBondContact O-CB 3.35Å; F53-S57 PolarHBondContact O-N 2.84Å; F53-S57 PolarHBondContact O-OG 3.11Å; N54-S57 PolarHBondContact O-N 3.04Å
58	I	48	Very low	53.5	Low	135 Å²	135	98.3 Å²	98.3	69%	0.692	53%	0.527	S	S	*	.	H	α-helix	trans	-87.4	-34.3	-178.2	-60.4	172.2	0	0	0	112.3	N54 F56	N54-I58 WeakPolarHBondContact O-CG1 3.42Å; N54-I58 PolarHBondContact O-N 2.88Å; F56-I58 PolarHBondContact O-N 3.04Å
59	D	47.2	Very low	52.2	Low	122 Å²	122	100 Å²	100	65%	0.652	54%	0.543	S	S	*	.	H	α-helix	trans	-100.4	-14	-174	-80.7	-20.5	0	0	0	114.8
60	A	46.6	Very low	51.1	Low	61 Å²	61	104.2 Å²	104.2	50%	0.504	57%	0.569	S	S	.	*	S	Bend	trans	-90.4	-5.6	-171.1	0	0	0	0	0	115.4	F56 P62	F56-A60 WeakPolarHBondContact O-CB 3.24Å; F56-A60 PolarHBondContact O-N 3.31Å; A60-P62 VanDerWaalsContact C-CD 3.43Å; A60-P62 WeakPolarHBondContact O-CD 3.48Å
61	L	42.2	Very low	49.7	Very low	139 Å²	139	105.6 Å²	105.6	73%	0.728	58%	0.577	S	S	*	*			trans	-96.3	91.3	166.4	-84.1	132.1	0	0	0	108.1	D63	L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.87Å
62	P	45.7	Very low	48.9	Very low	93 Å²	93	109.4 Å²	109.4	60%	0.604	59%	0.594	S	S	*	*			trans	-58.9	111.5	152.3	26.7	-28.7	0	0	0	105.3	A60 K64	A60-P62 VanDerWaalsContact C-CD 3.43Å; A60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-K64 PolarHBondContact O-N 3.3Å
63	D	43	Very low	48.2	Very low	96 Å²	96	116.5 Å²	116.5	51%	0.513	63%	0.627	S	S	.	*			trans	-50.4	88.1	161.4	-91.6	-24	0	0	0	106.7	L61 D65 K66	L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.87Å; D63-D65 PolarHBondContact O-N 3.46Å; D63-K66 HydrophobicContact CB-CB 4.46Å; D63-K66 HydrophobicContact CB-CD 4.23Å; D63-K66 HydrophobicContact CB-CG 4.24Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 WeakPolarHBondContact OD2-CE 3.46Å; D63-K66 IonicContact OD2-NZ 2.76Å; D63-K66 PolarHBondContact OD2-NZ 3.44Å
64	K	48.2	Very low	47.6	Very low	190 Å²	190	113.5 Å²	113.5	83%	0.826	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-3.9	174.8	-83.5	-166.7	174.4	-176.7	0	111.6	P62	P62-K64 PolarHBondContact O-N 3.3Å
65	D	46.8	Very low	47	Very low	151 Å²	151	112.1 Å²	112.1	81%	0.807	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	1.2	-178.1	-60.2	-27.6	0	0	0	114.1	D63 S67	D63-D65 PolarHBondContact O-N 3.46Å; D65-S67 PolarHBondContact O-N 3.17Å
66	K	46.6	Very low	46.6	Very low	156 Å²	156	111.4 Å²	111.4	68%	0.678	63%	0.627	S	S	*	*	S	Bend	trans	-80.9	76	167.7	-80.6	177.2	-177.5	143.7	0	110.4	D63	D63-K66 HydrophobicContact CB-CB 4.46Å; D63-K66 HydrophobicContact CB-CD 4.23Å; D63-K66 HydrophobicContact CB-CG 4.24Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 WeakPolarHBondContact OD2-CE 3.46Å; D63-K66 IonicContact OD2-NZ 2.76Å; D63-K66 PolarHBondContact OD2-NZ 3.44Å
67	S	42.7	Very low	46.6	Very low	98 Å²	98	116 Å²	116	69%	0.685	65%	0.649	S	S	*	*			trans	20.1	104.6	144.3	58.2	0	0	0	0	114.9	D65 P69	D65-S67 PolarHBondContact O-N 3.17Å; S67-P69 WeakPolarHBondContact O-CD 3.34Å
68	L	42.8	Very low	46.6	Very low	149 Å²	149	118.1 Å²	118.1	78%	0.78	65%	0.65	S	S	*	*			trans	-56.6	114.5	160.5	-78.4	101.7	0	0	0	109	T70	L68-T70 PolarHBondContact O-N 2.88Å
69	P	42.4	Very low	46.7	Very low	105 Å²	105	118.1 Å²	118.1	68%	0.682	65%	0.649	S	S	*	*			trans	-80.1	102	157.9	17.6	-0.5	0	0	0	106.6	S67 N71 Q74	S67-P69 WeakPolarHBondContact O-CD 3.34Å; P69-N71 PolarHBondContact O-N 3.35Å; P69-Q74 PolarHBondContact O-NE2 3.34Å
70	T	46.6	Very low	47	Very low	108 Å²	108	117.6 Å²	117.6	66%	0.663	65%	0.646	S	S	*	*			trans	-51.9	113.8	155.8	44.1	0	0	0	0	108.4	L68	L68-T70 PolarHBondContact O-N 2.88Å
71	N	40.1	Very low	47.5	Very low	130 Å²	130	117.5 Å²	117.5	70%	0.695	64%	0.642	S	S	*	*			trans	170	114.8	134.8	-81.7	-21.2	0	0	0	112	P69 E73	P69-N71 PolarHBondContact O-N 3.35Å; N71-E73 PolarHBondContact O-N 3.33Å; N71-E73 VanDerWaalsContact O-N 3.11Å
72	N	49.8	Very low	48.2	Very low	156 Å²	156	115.9 Å²	115.9	83%	0.834	63%	0.633	S	S	*	*	S	Bend	trans	60.9	5.5	140.1	-69.5	-4.3	0	0	0	124.9
73	E	48.6	Very low	48.7	Very low	166 Å²	166	117.6 Å²	117.6	78%	0.776	63%	0.633	S	S	*	*			trans	-121.5	9	167.4	-63.1	-168.5	170	0	0	114.5	N71 G75	N71-E73 PolarHBondContact O-N 3.33Å; N71-E73 VanDerWaalsContact O-N 3.11Å; E73-G75 VanDerWaalsContact C-N 3.35Å; E73-G75 PolarHBondContact O-N 2.86Å
74	Q	50.4	Low	49.4	Very low	53 Å²	53	117.1 Å²	117.1	25%	0.248	63%	0.634	C	S	.	*	H	α-helix	trans	-74.8	9.4	-160.9	-70.1	177.5	-7.2	0	0	118.3	P69 K78	P69-Q74 PolarHBondContact O-NE2 3.34Å; Q74-K78 HydrophobicContact CB-CD 4.12Å; Q74-K78 HydrophobicContact CB-CG 4.32Å; Q74-K78 WeakPolarHBondContact O-CB 3.13Å; Q74-K78 WeakPolarHBondContact O-CD 3.45Å; Q74-K78 WeakPolarHBondContact O-CG 3.38Å; Q74-K78 PolarHBondContact O-N 3.37Å; Q74-K78 VanDerWaalsContact OE1-CE 3.28Å
75	G	47.9	Very low	50	Low	60 Å²	60	110.8 Å²	110.8	62%	0.619	61%	0.614	S	S	*	*	H	α-helix	trans	-72.7	-50.7	-178.6	0	0	0	0	0	113.3	E73	E73-G75 VanDerWaalsContact C-N 3.35Å; E73-G75 PolarHBondContact O-N 2.86Å
76	A	50	Low	50.7	Low	69 Å²	69	110.3 Å²	110.3	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-80	-38.5	-176.9	0	0	0	0	0	112.3	M79 L80	A76-M79 WeakPolarHBondContact O-CB 3.25Å; A76-M79 PolarHBondContact O-N 2.89Å; A76-L80 PolarHBondContact O-N 3.31Å
77	E	50.6	Low	51.6	Low	135 Å²	135	107.9 Å²	107.9	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-69	-33.4	178.2	-64.8	-168.7	158.2	0	0	112.8	M79 L80 S81	E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 3.44Å; E77-L80 PolarHBondContact O-N 3.5Å; E77-S81 WeakPolarHBondContact O-CB 3.43Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.34Å
78	K	51.5	Low	52.6	Low	108 Å²	108	105.7 Å²	105.7	47%	0.47	58%	0.583	S	S	.	*	H	α-helix	trans	-64.1	-35.5	170.5	-77.9	178.5	-178.8	165	0	112	Q74 S81 L82	Q74-K78 HydrophobicContact CB-CD 4.12Å; Q74-K78 HydrophobicContact CB-CG 4.32Å; Q74-K78 WeakPolarHBondContact O-CB 3.13Å; Q74-K78 WeakPolarHBondContact O-CD 3.45Å; Q74-K78 WeakPolarHBondContact O-CG 3.38Å; Q74-K78 PolarHBondContact O-N 3.37Å; Q74-K78 VanDerWaalsContact OE1-CE 3.28Å; K78-S81 VanDerWaalsContact CA-OG 3.26Å; K78-S81 WeakPolarHBondContact CA-OG 3.22Å; K78-S81 PolarHBondContact O-OG 3.15Å; K78-L82 VanDerWaalsContact O-CB 3.31Å; K78-L82 WeakPolarHBondContact O-CB 3.47Å; K78-L82 WeakPolarHBondContact O-CG 3.35Å; K78-L82 PolarHBondContact O-N 3.44Å
79	M	51.1	Low	53.8	Low	135 Å²	135	101.5 Å²	101.5	67%	0.665	57%	0.57	S	S	*	*	H	α-helix	trans	-68.8	-43.4	175.1	-87	-178	30.6	0	0	112.3	A76 E77 L82 Q83	A76-M79 WeakPolarHBondContact O-CB 3.25Å; A76-M79 PolarHBondContact O-N 2.89Å; E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 3.44Å; M79-L82 PolarHBondContact O-N 2.92Å; M79-Q83 WeakPolarHBondContact O-CB 3.32Å; M79-Q83 PolarHBondContact O-N 2.67Å
80	L	54	Low	55.3	Low	111 Å²	111	102.8 Å²	102.8	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-63.3	-45.5	175.8	-79.3	165.6	0	0	0	111.3	A76 E77 L82 Q83 T84	A76-L80 PolarHBondContact O-N 3.31Å; E77-L80 PolarHBondContact O-N 3.5Å; L80-L82 PolarHBondContact O-N 2.75Å; L80-Q83 PolarHBondContact O-N 3.29Å; L80-Q83 VanDerWaalsContact O-N 3.14Å; L80-T84 WeakPolarHBondContact O-CG2 3.35Å; L80-T84 PolarHBondContact O-N 2.86Å; L80-T84 PolarHBondContact O-OG1 3.03Å
81	S	56.8	Low	56.4	Low	60 Å²	60	101.5 Å²	101.5	42%	0.42	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-34	176.8	55.9	0	0	0	0	113.5	E77 K78 T84 S85	E77-S81 WeakPolarHBondContact O-CB 3.43Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.34Å; K78-S81 VanDerWaalsContact CA-OG 3.26Å; K78-S81 WeakPolarHBondContact CA-OG 3.22Å; K78-S81 PolarHBondContact O-OG 3.15Å; S81-T84 WeakPolarHBondContact CA-OG1 3.23Å; S81-T84 PolarHBondContact O-OG1 2.96Å; S81-T84 VanDerWaalsContact O-OG1 3.09Å; S81-S85 VanDerWaalsContact O-CB 3.26Å; S81-S85 WeakPolarHBondContact O-CB 3.44Å; S81-S85 PolarHBondContact O-N 3.02Å; S81-S85 PolarHBondContact O-OG 2.93Å
82	L	56	Low	57.9	Low	104 Å²	104	97.6 Å²	97.6	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-69.9	-34.3	171.6	-76	171.4	0	0	0	112.4	K78 M79 L80 S85 K86	K78-L82 VanDerWaalsContact O-CB 3.31Å; K78-L82 WeakPolarHBondContact O-CB 3.47Å; K78-L82 WeakPolarHBondContact O-CG 3.35Å; K78-L82 PolarHBondContact O-N 3.44Å; M79-L82 PolarHBondContact O-N 2.92Å; L80-L82 PolarHBondContact O-N 2.75Å; L82-S85 VanDerWaalsContact CA-OG 3.31Å; L82-S85 WeakPolarHBondContact CA-OG 3.44Å; L82-S85 PolarHBondContact O-OG 3.5Å; L82-S85 VanDerWaalsContact O-OG 3.06Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 VanDerWaalsContact O-CG 3.27Å; L82-K86 WeakPolarHBondContact O-CG 3.29Å; L82-K86 PolarHBondContact O-N 3.34Å
83	Q	56.9	Low	59.2	Low	129 Å²	129	98 Å²	98	60%	0.603	53%	0.533	S	S	*	.	H	α-helix	trans	-74	-41.3	178	-164.5	172.4	1.1	0	0	111.4	M79 L80 K86 Q87	M79-Q83 WeakPolarHBondContact O-CB 3.32Å; M79-Q83 PolarHBondContact O-N 2.67Å; L80-Q83 PolarHBondContact O-N 3.29Å; L80-Q83 VanDerWaalsContact O-N 3.14Å; Q83-K86 PolarHBondContact O-N 2.9Å; Q83-Q87 WeakPolarHBondContact O-CB 3.48Å; Q83-Q87 PolarHBondContact O-N 3.22Å
84	T	57.7	Low	60.3	Low	86 Å²	86	93 Å²	93	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-40.3	174.5	57.2	0	0	0	0	111.4	L80 S81 Q87 A88	L80-T84 WeakPolarHBondContact O-CG2 3.35Å; L80-T84 PolarHBondContact O-N 2.86Å; L80-T84 PolarHBondContact O-OG1 3.03Å; S81-T84 WeakPolarHBondContact CA-OG1 3.23Å; S81-T84 PolarHBondContact O-OG1 2.96Å; S81-T84 VanDerWaalsContact O-OG1 3.09Å; T84-Q87 PolarHBondContact O-N 3.38Å; T84-A88 VanDerWaalsContact O-CB 3.25Å; T84-A88 WeakPolarHBondContact O-CB 3.49Å; T84-A88 PolarHBondContact O-N 3.17Å
85	S	60.8	Low	61.3	Low	58 Å²	58	93.1 Å²	93.1	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-37.6	175.3	57.9	0	0	0	0	113	S81 L82 A88 A89	S81-S85 VanDerWaalsContact O-CB 3.26Å; S81-S85 WeakPolarHBondContact O-CB 3.44Å; S81-S85 PolarHBondContact O-N 3.02Å; S81-S85 PolarHBondContact O-OG 2.93Å; L82-S85 VanDerWaalsContact CA-OG 3.31Å; L82-S85 WeakPolarHBondContact CA-OG 3.44Å; L82-S85 PolarHBondContact O-OG 3.5Å; L82-S85 VanDerWaalsContact O-OG 3.06Å; S85-A88 PolarHBondContact O-N 3.23Å; S85-A89 WeakPolarHBondContact O-CB 3.41Å; S85-A89 PolarHBondContact O-N 3.43Å
86	K	61.5	Low	62.6	Low	141 Å²	141	98.5 Å²	98.5	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-44.3	171.8	-78.8	179.2	-175.6	-178.9	0	111.7	L82 Q83 A88 A89 E90	L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 VanDerWaalsContact O-CG 3.27Å; L82-K86 WeakPolarHBondContact O-CG 3.29Å; L82-K86 PolarHBondContact O-N 3.34Å; Q83-K86 PolarHBondContact O-N 2.9Å; K86-A88 VanDerWaalsContact C-N 3.34Å; K86-A89 PolarHBondContact O-N 2.94Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.46Å
87	Q	65	Low	63.9	Low	105 Å²	105	98.7 Å²	98.7	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.8	-171.1	171.5	-4.5	0	0	111.5	Q83 T84 E90 N91	Q83-Q87 WeakPolarHBondContact O-CB 3.48Å; Q83-Q87 PolarHBondContact O-N 3.22Å; T84-Q87 PolarHBondContact O-N 3.38Å; Q87-E90 PolarHBondContact O-N 2.98Å; Q87-N91 WeakPolarHBondContact O-CB 3.49Å; Q87-N91 PolarHBondContact O-N 2.95Å; Q87-N91 PolarHBondContact O-ND2 3.36Å; Q87-N91 PolarHBondContact O-OD1 2.84Å
88	A	63.4	Low	65.2	Low	51 Å²	51	95.4 Å²	95.4	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-40	173.1	0	0	0	0	0	111.7	T84 S85 K86 N91 S92	T84-A88 VanDerWaalsContact O-CB 3.25Å; T84-A88 WeakPolarHBondContact O-CB 3.49Å; T84-A88 PolarHBondContact O-N 3.17Å; S85-A88 PolarHBondContact O-N 3.23Å; K86-A88 VanDerWaalsContact C-N 3.34Å; A88-N91 PolarHBondContact O-N 2.87Å; A88-S92 WeakPolarHBondContact O-CB 3.35Å; A88-S92 PolarHBondContact O-N 3.41Å
89	A	69	Low	66.5	Low	61 Å²	61	93 Å²	93	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-67.6	-41.2	175.6	0	0	0	0	0	112.4	S85 K86 S92 K93	S85-A89 WeakPolarHBondContact O-CB 3.41Å; S85-A89 PolarHBondContact O-N 3.43Å; K86-A89 PolarHBondContact O-N 2.94Å; A89-S92 PolarHBondContact O-N 3.16Å; A89-K93 WeakPolarHBondContact O-CB 3.32Å; A89-K93 PolarHBondContact O-N 3.32Å
90	E	72.6	Confident	67.9	Low	133 Å²	133	90.6 Å²	90.6	62%	0.621	48%	0.483	S	S	*	.	H	α-helix	trans	-65.2	-43.6	173.9	-74.8	-178.6	-177.6	0	0	111.5	K86 Q87 K93 A94	K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.46Å; Q87-E90 PolarHBondContact O-N 2.98Å; E90-K93 PolarHBondContact O-N 3.3Å; E90-A94 WeakPolarHBondContact O-CB 3.18Å; E90-A94 PolarHBondContact O-N 3.28Å
91	N	69.7	Low	69.1	Low	80 Å²	80	88.7 Å²	88.7	43%	0.428	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-45.6	174.4	-73.9	-12.1	0	0	0	110.7	Q87 A88 K93 A94 K95	Q87-N91 WeakPolarHBondContact O-CB 3.49Å; Q87-N91 PolarHBondContact O-N 2.95Å; Q87-N91 PolarHBondContact O-ND2 3.36Å; Q87-N91 PolarHBondContact O-OD1 2.84Å; A88-N91 PolarHBondContact O-N 2.87Å; N91-K93 VanDerWaalsContact C-N 3.35Å; N91-K93 PolarHBondContact O-N 3.5Å; N91-A94 PolarHBondContact O-N 3.01Å; N91-K95 WeakPolarHBondContact O-CB 3.25Å; N91-K95 VanDerWaalsContact O-CG 3.22Å; N91-K95 WeakPolarHBondContact O-CG 3.49Å; N91-K95 PolarHBondContact O-N 3.45Å
92	S	72.7	Confident	70.1	Confident	49 Å²	49	86.3 Å²	86.3	34%	0.343	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-43.5	175.3	175.2	0	0	0	0	111.4	F56 A88 A89 R96	F56-S92 VanDerWaalsContact CZ-O 3.28Å; F56-S92 WeakPolarHBondContact CZ-O 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.35Å; A88-S92 PolarHBondContact O-N 3.41Å; A89-S92 PolarHBondContact O-N 3.16Å; S92-R96 VanDerWaalsContact O-CB 3.24Å; S92-R96 WeakPolarHBondContact O-CB 3.45Å; S92-R96 PolarHBondContact O-N 2.91Å
93	K	75.9	Confident	71.2	Confident	163 Å²	163	85.9 Å²	85.9	71%	0.709	45%	0.453	S	S	*	.	H	α-helix	trans	-63.8	-44.4	175.7	-171.1	178.1	-179.4	-179.8	0	112.1	A89 E90 N91 R96 S97	A89-K93 WeakPolarHBondContact O-CB 3.32Å; A89-K93 PolarHBondContact O-N 3.32Å; E90-K93 PolarHBondContact O-N 3.3Å; N91-K93 VanDerWaalsContact C-N 3.35Å; N91-K93 PolarHBondContact O-N 3.5Å; K93-R96 PolarHBondContact O-N 3.02Å; K93-S97 WeakPolarHBondContact O-CB 3.43Å; K93-S97 PolarHBondContact O-N 3.15Å
94	A	73.7	Confident	72.3	Confident	63 Å²	63	83.8 Å²	83.8	52%	0.521	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-46.7	178.3	0	0	0	0	0	111.7	E90 N91 R96 S97 L98	E90-A94 WeakPolarHBondContact O-CB 3.18Å; E90-A94 PolarHBondContact O-N 3.28Å; N91-A94 PolarHBondContact O-N 3.01Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.95Å; A94-S97 WeakPolarHBondContact O-CB 3.36Å; A94-S97 PolarHBondContact O-N 2.73Å; A94-L98 PolarHBondContact O-N 3.45Å
95	K	69.6	Low	73.2	Confident	55 Å²	55	82.4 Å²	82.4	24%	0.239	44%	0.435	C	S	.	.	H	α-helix	trans	-61.6	-39	175.6	-67.5	-179.1	-175.3	-174.3	0	111	D55 F56 N91 L98 F99	D55-K95 PolarHBondContact O-NZ 2.93Å; D55-K95 VanDerWaalsContact O-NZ 3.17Å; F56-K95 HydrophobicContact CD2-CB 3.99Å; F56-K95 HydrophobicContact CD2-CD 4.29Å; F56-K95 HydrophobicContact CE1-CB 4.32Å; F56-K95 VanDerWaalsContact CE2-C 3.43Å; F56-K95 HydrophobicContact CE2-CB 3.14Å; F56-K95 HydrophobicContact CE2-CD 4.21Å; F56-K95 HydrophobicContact CE2-CG 4.3Å; F56-K95 HydrophobicContact CZ-CB 3.34Å; F56-K95 HydrophobicContact CZ-CD 4.45Å; N91-K95 WeakPolarHBondContact O-CB 3.25Å; N91-K95 VanDerWaalsContact O-CG 3.22Å; N91-K95 WeakPolarHBondContact O-CG 3.49Å; N91-K95 PolarHBondContact O-N 3.45Å; K95-L98 PolarHBondContact O-N 3.4Å; K95-F99 PolarHBondContact O-N 3.23Å
96	R	75.5	Confident	73.9	Confident	172 Å²	172	80.8 Å²	80.8	65%	0.649	42%	0.422	S	S	*	.	H	α-helix	trans	-68.4	-40.6	179	-176.5	176	178.9	176.4	1	110.9	F56 S92 K93 A94 L98 F99 M100	F56-R96 HydrophobicContact CZ-CB 3.91Å; F56-R96 VanDerWaalsContact CZ-N 3.28Å; S92-R96 VanDerWaalsContact O-CB 3.24Å; S92-R96 WeakPolarHBondContact O-CB 3.45Å; S92-R96 PolarHBondContact O-N 2.91Å; K93-R96 PolarHBondContact O-N 3.02Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.95Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-F99 PolarHBondContact O-N 3.34Å; R96-M100 WeakPolarHBondContact O-CG 3.44Å; R96-M100 PolarHBondContact O-N 2.98Å
97	S	77.6	Confident	74.7	Confident	74 Å²	74	80.9 Å²	80.9	52%	0.517	42%	0.419	S	S	.	.	H	α-helix	trans	-60	-45.8	173.6	-168.4	0	0	0	0	110.9	K93 A94 M100 T101	K93-S97 WeakPolarHBondContact O-CB 3.43Å; K93-S97 PolarHBondContact O-N 3.15Å; A94-S97 WeakPolarHBondContact O-CB 3.36Å; A94-S97 PolarHBondContact O-N 2.73Å; S97-M100 PolarHBondContact O-N 3.15Å; S97-T101 PolarHBondContact O-N 2.84Å; S97-T101 PolarHBondContact O-OG1 3.29Å; S97-T101 VanDerWaalsContact O-OG1 3.1Å
98	L	77.9	Confident	75.4	Confident	65 Å²	65	80.7 Å²	80.7	34%	0.34	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-43.1	177.7	-174.5	66.4	0	0	0	111.6	L27 I52 A94 K95 R96 M100 T101 V102	L27-L98 HydrophobicContact CD2-CD1 4.43Å; I52-L98 HydrophobicContact CD1-CD2 3.6Å; I52-L98 HydrophobicContact CD1-CG 3.92Å; I52-L98 HydrophobicContact CG1-CD2 4.38Å; A94-L98 PolarHBondContact O-N 3.45Å; K95-L98 PolarHBondContact O-N 3.4Å; R96-L98 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.26Å; L98-T101 PolarHBondContact O-N 3.27Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.48Å
99	F	78.6	Confident	76	Confident	57 Å²	57	78.8 Å²	78.8	25%	0.25	40%	0.404	C	S	.	.	H	α-helix	trans	-57.1	-49.4	174.5	176.9	-88	0	0	0	111.7	L49 I52 F53 K95 R96 T101 V102 F103	L49-F99 HydrophobicContact CD2-CD2 3.55Å; L49-F99 HydrophobicContact CD2-CE2 3.9Å; L49-F99 HydrophobicContact CD2-CG 4.24Å; I52-F99 HydrophobicContact CG2-CB 4.36Å; F53-F99 HydrophobicContact CD2-CE2 4.43Å; K95-F99 PolarHBondContact O-N 3.23Å; R96-F99 PolarHBondContact O-N 3.34Å; F99-T101 VanDerWaalsContact C-N 3.35Å; F99-T101 PolarHBondContact O-N 3.31Å; F99-V102 PolarHBondContact O-N 3.07Å; F99-F103 HydrophobicContact CE1-CB 4.34Å; F99-F103 HydrophobicContact CZ-CD2 4.48Å; F99-F103 VanDerWaalsContact O-CB 3.23Å; F99-F103 WeakPolarHBondContact O-CB 3.42Å; F99-F103 PolarHBondContact O-N 2.89Å
100	M	80.1	Confident	76.2	Confident	85 Å²	85	80.7 Å²	80.7	42%	0.419	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-43	179.6	-68.9	-59.8	-58.3	0	0	111.6	R96 S97 L98 F103 D104	R96-M100 WeakPolarHBondContact O-CG 3.44Å; R96-M100 PolarHBondContact O-N 2.98Å; S97-M100 PolarHBondContact O-N 3.15Å; L98-M100 PolarHBondContact O-N 3.26Å; M100-F103 PolarHBondContact O-N 2.93Å; M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 VanDerWaalsContact O-CG 3.22Å; M100-D104 PolarHBondContact O-N 3Å
101	T	80.2	Confident	76.4	Confident	71 Å²	71	78.9 Å²	78.9	44%	0.436	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-49.1	177.2	-56.9	0	0	0	0	112	S97 L98 F99 F103 D104 D105	S97-T101 PolarHBondContact O-N 2.84Å; S97-T101 PolarHBondContact O-OG1 3.29Å; S97-T101 VanDerWaalsContact O-OG1 3.1Å; L98-T101 PolarHBondContact O-N 3.27Å; F99-T101 VanDerWaalsContact C-N 3.35Å; F99-T101 PolarHBondContact O-N 3.31Å; T101-F103 VanDerWaalsContact C-N 3.31Å; T101-F103 PolarHBondContact O-N 2.93Å; T101-D104 PolarHBondContact O-N 3.35Å; T101-D105 PolarHBondContact O-N 3.38Å
102	V	77.5	Confident	76.6	Confident	11 Å²	11	79.7 Å²	79.7	7%	0.067	40%	0.397	C	S	.	.	H	α-helix	trans	-68.1	-34.7	-179.8	-179.7	0	0	0	0	111.1	M45 L49 L98 F99 D105 L106	M45-V102 HydrophobicContact CB-CG1 4.16Å; M45-V102 HydrophobicContact SD-CG1 4.24Å; L49-V102 HydrophobicContact CD1-CG1 3.89Å; L49-V102 HydrophobicContact CD2-CB 3.7Å; L49-V102 HydrophobicContact CD2-CG1 3.73Å; L49-V102 HydrophobicContact CG-CB 4.13Å; L49-V102 HydrophobicContact CG-CG1 3.55Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.48Å; F99-V102 PolarHBondContact O-N 3.07Å; V102-D105 PolarHBondContact O-N 3.45Å; V102-L106 WeakPolarHBondContact O-CG 3.42Å; V102-L106 PolarHBondContact O-N 3.35Å
103	F	79	Confident	76.5	Confident	95 Å²	95	83 Å²	83	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175	-176.7	-96.1	0	0	0	112.3	F99 M100 T101 D105 L106 R107	F99-F103 HydrophobicContact CE1-CB 4.34Å; F99-F103 HydrophobicContact CZ-CD2 4.48Å; F99-F103 VanDerWaalsContact O-CB 3.23Å; F99-F103 WeakPolarHBondContact O-CB 3.42Å; F99-F103 PolarHBondContact O-N 2.89Å; M100-F103 PolarHBondContact O-N 2.93Å; T101-F103 VanDerWaalsContact C-N 3.31Å; T101-F103 PolarHBondContact O-N 2.93Å; F103-D105 VanDerWaalsContact C-N 3.34Å; F103-D105 PolarHBondContact O-N 2.85Å; F103-L106 PolarHBondContact O-N 3.31Å; F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 3.21Å
104	D	79.3	Confident	76.2	Confident	85 Å²	85	81 Å²	81	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-40.8	176.6	-70.4	-24.4	0	0	0	111.1	M100 T101 R107 L108	M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 VanDerWaalsContact O-CG 3.22Å; M100-D104 PolarHBondContact O-N 3Å; T101-D104 PolarHBondContact O-N 3.35Å; D104-R107 PolarHBondContact O-N 3.48Å; D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 PolarHBondContact O-N 2.99Å
105	D	78.3	Confident	75.8	Confident	56 Å²	56	84 Å²	84	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-44.4	174.8	-73.3	-17.3	0	0	0	111.8	M36 T101 V102 F103 L108 V109	M36-D105 HydrophobicContact CE-CB 4.34Å; T101-D105 PolarHBondContact O-N 3.38Å; V102-D105 PolarHBondContact O-N 3.45Å; F103-D105 VanDerWaalsContact C-N 3.34Å; F103-D105 PolarHBondContact O-N 2.85Å; D105-L108 PolarHBondContact O-N 3.39Å; D105-V109 WeakPolarHBondContact O-CG2 3.24Å; D105-V109 PolarHBondContact O-N 3.22Å
106	L	75.3	Confident	75.3	Confident	25 Å²	25	88.3 Å²	88.3	13%	0.131	42%	0.422	C	S	.	.	H	α-helix	trans	-64.3	-40.5	177.1	-72.5	-177.5	0	0	0	112.2	F42 M45 L49 V102 F103 L108 V109 E110	F42-L106 HydrophobicContact CD2-CD2 3.63Å; F42-L106 HydrophobicContact CE2-CD2 3.57Å; F42-L106 HydrophobicContact CG-CD2 4.5Å; F42-L106 HydrophobicContact CZ-CD2 4.37Å; M45-L106 HydrophobicContact CB-CD2 4.14Å; L49-L106 HydrophobicContact CD1-CD1 3.31Å; L49-L106 HydrophobicContact CD1-CG 4.46Å; V102-L106 WeakPolarHBondContact O-CG 3.42Å; V102-L106 PolarHBondContact O-N 3.35Å; F103-L106 PolarHBondContact O-N 3.31Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-V109 PolarHBondContact O-N 3.04Å; L106-E110 PolarHBondContact O-N 2.89Å
107	R	78.7	Confident	74.4	Confident	142 Å²	142	85.4 Å²	85.4	54%	0.536	42%	0.424	S	S	.	.	H	α-helix	trans	-62.2	-42.6	176.3	-175.2	-179.5	174.8	162.9	4	111.2	F103 D104 V109 E110 E111	F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 3.21Å; D104-R107 PolarHBondContact O-N 3.48Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.71Å; R107-E110 WeakPolarHBondContact O-CB 3.1Å; R107-E110 PolarHBondContact O-N 3.1Å; R107-E110 VanDerWaalsContact O-N 3.16Å; R107-E111 IonicContact NE-OE1 3.44Å; R107-E111 PolarHBondContact NE-OE1 3.48Å; R107-E111 PolarHBondContact O-N 3.28Å
108	L	78.5	Confident	73.1	Confident	101 Å²	101	86.7 Å²	86.7	53%	0.529	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-38.9	176.9	-170.3	144.1	0	0	0	111.6	D104 D105 L106 E110 E111 L112	D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 PolarHBondContact O-N 2.99Å; D105-L108 PolarHBondContact O-N 3.39Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L108-E110 VanDerWaalsContact C-N 3.35Å; L108-E111 PolarHBondContact O-N 3.48Å; L108-L112 HydrophobicContact CD2-CD1 3.61Å; L108-L112 HydrophobicContact CD2-CG 4.19Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.15Å; L108-L112 PolarHBondContact O-N 2.63Å
109	V	75.6	Confident	71.7	Confident	11 Å²	11	89 Å²	89	7%	0.067	45%	0.448	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.9	172	0	0	0	0	111.7	M36 F42 D105 L106 R107 K113	M36-V109 HydrophobicContact CB-CG2 3.67Å; M36-V109 HydrophobicContact CE-CG2 3.96Å; M36-V109 HydrophobicContact CG-CG2 3.77Å; M36-V109 HydrophobicContact SD-CG2 4.39Å; F42-V109 HydrophobicContact CD2-CG1 4.45Å; D105-V109 WeakPolarHBondContact O-CG2 3.24Å; D105-V109 PolarHBondContact O-N 3.22Å; L106-V109 PolarHBondContact O-N 3.04Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.71Å; V109-K113 WeakPolarHBondContact O-CG 3.39Å; V109-K113 PolarHBondContact O-N 2.93Å
110	E	74.4	Confident	70.4	Confident	101 Å²	101	91.5 Å²	91.5	47%	0.472	47%	0.472	S	S	.	.	H	α-helix	trans	-65.9	-42.6	177.2	-161.2	-168.8	151.1	0	0	112.1	L106 R107 L108 K113 K114	L106-E110 PolarHBondContact O-N 2.89Å; R107-E110 WeakPolarHBondContact O-CB 3.1Å; R107-E110 PolarHBondContact O-N 3.1Å; R107-E110 VanDerWaalsContact O-N 3.16Å; L108-E110 VanDerWaalsContact C-N 3.35Å; E110-K113 WeakPolarHBondContact O-CB 3.07Å; E110-K113 PolarHBondContact O-N 3.48Å; E110-K114 WeakPolarHBondContact O-CG 3.33Å; E110-K114 PolarHBondContact O-N 3.5Å; E110-K114 VanDerWaalsContact OE1-CE 3.25Å; E110-K114 WeakPolarHBondContact OE1-CE 3.19Å; E110-K114 IonicContact OE1-NZ 3.34Å; E110-K114 PolarHBondContact OE1-NZ 3.43Å
111	E	77.2	Confident	69.1	Low	96 Å²	96	96.5 Å²	96.5	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.8	-72.4	-179.7	-172.3	0	0	111.9	R107 L108 K113 K114 L115	R107-E111 IonicContact NE-OE1 3.44Å; R107-E111 PolarHBondContact NE-OE1 3.48Å; R107-E111 PolarHBondContact O-N 3.28Å; L108-E111 PolarHBondContact O-N 3.48Å; E111-K113 VanDerWaalsContact C-N 3.29Å; E111-K113 PolarHBondContact O-N 3.06Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 VanDerWaalsContact O-N 3.15Å; E111-L115 PolarHBondContact O-N 2.6Å
112	L	73.9	Confident	68.6	Low	96 Å²	96	97.8 Å²	97.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-34	174	-76	176.9	0	0	0	112.9	L108	L108-L112 HydrophobicContact CD2-CD1 3.61Å; L108-L112 HydrophobicContact CD2-CG 4.19Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.15Å; L108-L112 PolarHBondContact O-N 2.63Å
113	K	70.6	Confident	68.1	Low	120 Å²	120	102.4 Å²	102.4	52%	0.522	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-43.5	172.8	-77.9	178.9	179.1	178.7	0	111.2	V109 E110 E111 K116 T117	V109-K113 WeakPolarHBondContact O-CG 3.39Å; V109-K113 PolarHBondContact O-N 2.93Å; E110-K113 WeakPolarHBondContact O-CB 3.07Å; E110-K113 PolarHBondContact O-N 3.48Å; E111-K113 VanDerWaalsContact C-N 3.29Å; E111-K113 PolarHBondContact O-N 3.06Å; K113-K116 PolarHBondContact O-N 3.04Å; K113-T117 PolarHBondContact O-N 3.44Å; K113-T117 PolarHBondContact O-OG1 3.5Å
114	K	69.3	Low	67.5	Low	120 Å²	120	102.8 Å²	102.8	52%	0.522	55%	0.545	S	S	.	.	H	α-helix	trans	-64.7	-40.7	179.6	-71.3	174.3	-175.2	167.1	0	112.8	E110 E111 K116 T117	E110-K114 WeakPolarHBondContact O-CG 3.33Å; E110-K114 PolarHBondContact O-N 3.5Å; E110-K114 VanDerWaalsContact OE1-CE 3.25Å; E110-K114 WeakPolarHBondContact OE1-CE 3.19Å; E110-K114 IonicContact OE1-NZ 3.34Å; E110-K114 PolarHBondContact OE1-NZ 3.43Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 VanDerWaalsContact O-N 3.15Å; K114-K116 PolarHBondContact O-N 3.42Å; K114-T117 PolarHBondContact O-N 2.91Å; K114-T117 PolarHBondContact O-OG1 3.3Å
115	L	65.1	Low	66.8	Low	125 Å²	125	103.8 Å²	103.8	65%	0.654	55%	0.551	S	S	*	*	H	α-helix	trans	-65.1	-23.7	178.3	-78.5	164.3	0	0	0	113.9	E111 T118	E111-L115 PolarHBondContact O-N 2.6Å; L115-T118 PolarHBondContact O-OG1 3.02Å
116	K	59.3	Low	66.1	Low	147 Å²	147	106.8 Å²	106.8	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-87.2	-17.7	176.6	-78.6	-175.8	175.5	-175.9	0	113.9	K113 K114	K113-K116 PolarHBondContact O-N 3.04Å; K114-K116 PolarHBondContact O-N 3.42Å
117	T	56.1	Low	65.5	Low	111 Å²	111	112.3 Å²	112.3	68%	0.681	60%	0.595	S	S	*	*	S	Bend	trans	-86.7	-2.1	177.9	40.7	0	0	0	0	114.1	K113 K114 P119	K113-T117 PolarHBondContact O-N 3.44Å; K113-T117 PolarHBondContact O-OG1 3.5Å; K114-T117 PolarHBondContact O-N 2.91Å; K114-T117 PolarHBondContact O-OG1 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.23Å
118	T	49.5	Very low	64.5	Low	100 Å²	100	110.1 Å²	110.1	61%	0.613	60%	0.599	S	S	*	*	S	Bend	trans	-70.3	109.6	162.7	34.4	0	0	0	0	108.1	L115 S120	L115-T118 PolarHBondContact O-OG1 3.02Å; T118-S120 PolarHBondContact O-N 2.88Å
119	P	49.1	Very low	63.4	Low	115 Å²	115	110.8 Å²	110.8	75%	0.747	61%	0.605	S	S	*	*			trans	-60.8	129.6	173	27.3	-32.1	0	0	0	107.4	T117	T117-P119 WeakPolarHBondContact O-CD 3.23Å
120	S	50.6	Low	62.4	Low	108 Å²	108	119.2 Å²	119.2	76%	0.755	65%	0.65	S	S	*	*			trans	-54.6	136.5	161.2	-177	0	0	0	0	107.4	T118	T118-S120 PolarHBondContact O-N 2.88Å
121	P	54	Low	61.3	Low	191 Å²	191	120.8 Å²	120.8	100%	1.24	67%	0.666	S	S	*	*			trans	-56.5	0	178.8	25.2	-35.3	0	0	0	112.5

Retrieved 121 of 121 residues in 36.1 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).