A0A096NKD6_PAPAN Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Required for proper complex I assembly. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A096NKD6, Species PAPAN (Papio anubis, Olive baboon), Gene NDUFA6, Length 154 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.4	Very low	42.1	Very low	245 Å²	245	184.2 Å²	184.2	100%	1.207	87%	0.866	S	S	*	*				0	123.3	0	-127.9	168.5	171.5	0	0	107.7
2	R	42	Very low	41.7	Very low	244 Å²	244	176.8 Å²	176.8	92%	0.921	86%	0.859	S	S	*	*			trans	72.5	82.9	-172.3	-61.3	-178.4	178.2	175.2	-1	114.6
3	K	45.3	Very low	41.2	Very low	189 Å²	189	171.4 Å²	171.4	82%	0.822	86%	0.861	S	S	*	*				57.8	92	83.7	-65.1	-164.4	176.1	-173.6	0	112.3
4	D	40.1	Very low	40.7	Very low	130 Å²	130	169.3 Å²	169.3	70%	0.695	87%	0.868	S	S	*	*				81.7	101.9	94.7	-67.8	-35	0	0	0	111.7
5	I	44.7	Very low	40.4	Very low	161 Å²	161	169.7 Å²	169.7	83%	0.826	86%	0.861	S	S	*	*				82.3	118.7	81.4	-72.7	169.8	0	0	0	112.1
6	R	38.6	Very low	39.9	Very low	226 Å²	226	168.3 Å²	168.3	85%	0.853	85%	0.85	S	S	*	*			trans	-62.3	-169.2	170.8	-56.2	-177.8	-76.9	-151.2	-5.1	111.7
7	P	54.3	Low	39.7	Very low	118 Å²	118	166.4 Å²	166.4	77%	0.766	85%	0.849	S	S	*	*				-120.7	-155	-78.8	38.2	-19.3	0	0	0	109.7
8	R	38.5	Very low	39.3	Very low	226 Å²	226	161.3 Å²	161.3	85%	0.853	84%	0.844	S	S	*	*			trans	114.8	118.9	148.1	-111.1	-174.1	-172.5	175.9	2	118.2
9	V	40.8	Very low	39.3	Very low	135 Å²	135	161.3 Å²	161.3	82%	0.818	84%	0.844	S	S	*	*			trans	58.7	124	144	-81.5	0	0	0	0	123.2
10	A	37.4	Very low	39	Very low	97 Å²	97	165.8 Å²	165.8	80%	0.802	85%	0.85	S	S	*	*				-175	111.3	127.1	0	0	0	0	0	108.5
11	R	35.8	Very low	38.8	Very low	255 Å²	255	163.2 Å²	163.2	96%	0.962	85%	0.846	S	S	*	*				45.2	111.1	93.9	-81	-168.4	-163.1	-173.3	5.9	117.6
12	A	37.6	Very low	38.5	Very low	95 Å²	95	154.9 Å²	154.9	79%	0.785	82%	0.824	S	S	*	*			trans	-166.9	111.5	134.7	0	0	0	0	0	106
13	A	35	Very low	38.4	Very low	107 Å²	107	153.9 Å²	153.9	88%	0.884	82%	0.821	S	S	*	*				58.1	96.2	67	0	0	0	0	0	113.8
14	C	34.6	Very low	38	Very low	142 Å²	142	154.8 Å²	154.8	96%	0.959	83%	0.826	S	S	*	*			trans	-146.8	144.6	149	-150.2	0	0	0	0	109.6
15	K	35.9	Very low	38.4	Very low	175 Å²	175	151.8 Å²	151.8	76%	0.761	83%	0.826	S	S	*	*			trans	-92.1	157.9	-155.3	-113.8	179.3	170.2	-166.1	0	113.9
16	E	32.8	Very low	38.4	Very low	147 Å²	147	154.1 Å²	154.1	69%	0.687	83%	0.83	S	S	*	*			trans	28.6	143.7	133.9	-70.9	175.4	145.1	0	0	119
17	V	35.5	Very low	38.2	Very low	136 Å²	136	152.7 Å²	152.7	82%	0.824	84%	0.835	S	S	*	*			cis	-172.1	152.8	19.7	-111	0	0	0	0	106.1
18	G	33.3	Very low	37.7	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	84%	0.835	S	S	*	*			trans	172.4	81.4	167.7	0	0	0	0	0	113.1
19	L	38.4	Very low	38.1	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	83%	0.833	S	S	*	*			trans	-50	146.4	156.8	-87.4	78.2	0	0	0	108.9
20	W	33.4	Very low	38.6	Very low	252 Å²	252	143.9 Å²	143.9	96%	0.955	83%	0.829	S	S	*	*				-167.8	133.5	119.1	-106	55.4	0	0	0	109.8
21	S	36.3	Very low	39	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	82%	0.824	S	S	*	*			trans	-53.1	148.1	173.3	179.8	0	0	0	0	112.9
22	G	38	Very low	39.7	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	81%	0.809	S	S	*	*			trans	175.5	74.6	170.5	0	0	0	0	0	115	F24	G22-F24 PolarHBondContact O-N 3.4Å
23	Y	40	Very low	40.5	Very low	222 Å²	222	142.3 Å²	142.3	87%	0.871	82%	0.815	S	S	*	*			trans	-57.3	122.1	157.1	-81.5	-107.4	0	0	0	109.5
24	F	37.6	Very low	41.6	Very low	208 Å²	208	145.4 Å²	145.4	91%	0.912	81%	0.811	S	S	*	*			trans	-161.3	116.7	144.9	-133.1	-97.2	0	0	0	110.4	G22	G22-F24 PolarHBondContact O-N 3.4Å
25	G	47.2	Very low	42.6	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	80%	0.802	S	S	*	*			trans	-67.6	148.5	-175.8	0	0	0	0	0	113.7
26	K	44.7	Very low	43.7	Very low	209 Å²	209	139.1 Å²	139.1	91%	0.909	80%	0.802	S	S	*	*			trans	-139	95.1	157.9	-69.8	-170.3	179	-176.9	0	108	A28	K26-A28 PolarHBondContact O-N 3.16Å; K26-A28 VanDerWaalsContact O-N 3.16Å
27	M	36	Very low	45.1	Very low	197 Å²	197	137.5 Å²	137.5	97%	0.97	81%	0.806	S	S	*	*			trans	-68.5	102.8	161.1	-81.6	-178.7	173.4	0	0	107.5	A29	M27-A29 PolarHBondContact O-N 3.3Å
28	A	43.8	Very low	46.2	Very low	91 Å²	91	137.4 Å²	137.4	75%	0.752	81%	0.806	S	S	*	*			trans	-76	104.3	162.3	0	0	0	0	0	107.3	K26 S30	K26-A28 PolarHBondContact O-N 3.16Å; K26-A28 VanDerWaalsContact O-N 3.16Å; A28-S30 VanDerWaalsContact C-N 3.28Å; A28-S30 PolarHBondContact O-N 2.89Å
29	A	46.3	Very low	47.2	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	81%	0.805	S	S	*	*			trans	-65.7	92.5	165.8	0	0	0	0	0	108.2	M27 G31	M27-A29 PolarHBondContact O-N 3.3Å; A29-G31 PolarHBondContact O-N 2.81Å
30	S	50.3	Low	48.5	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	80%	0.798	S	S	*	*			trans	-67	91.8	161.2	44.1	0	0	0	0	107.2	A28 V32	A28-S30 VanDerWaalsContact C-N 3.28Å; A28-S30 PolarHBondContact O-N 2.89Å; S30-V32 PolarHBondContact O-N 2.95Å
31	G	47	Very low	50	Low	67 Å²	67	129.8 Å²	129.8	69%	0.691	79%	0.793	S	S	*	*			trans	-61.2	91.7	166.7	0	0	0	0	0	108.7	A29 R33	A29-G31 PolarHBondContact O-N 2.81Å; G31-R33 VanDerWaalsContact C-N 3.27Å; G31-R33 PolarHBondContact O-N 2.92Å
32	V	50.6	Low	51.4	Low	109 Å²	109	132.4 Å²	132.4	66%	0.661	79%	0.791	S	S	*	*			trans	-63.2	96.7	165.8	177.6	0	0	0	0	105.7	S30 Q34	S30-V32 PolarHBondContact O-N 2.95Å; V32-Q34 HydrophobicContact CG1-CG 4.14Å; V32-Q34 PolarHBondContact O-N 2.98Å
33	R	54.9	Low	53.2	Low	238 Å²	238	132.7 Å²	132.7	90%	0.898	78%	0.778	S	S	*	*			trans	-68.2	91	163	-62.4	-177.4	-176.7	-171.8	-0.2	105.4	G31 A35	G31-R33 VanDerWaalsContact C-N 3.27Å; G31-R33 PolarHBondContact O-N 2.92Å; R33-A35 VanDerWaalsContact C-N 3.32Å; R33-A35 PolarHBondContact O-N 2.91Å
34	Q	56.5	Low	55	Low	171 Å²	171	130.8 Å²	130.8	80%	0.799	78%	0.775	S	S	*	*			trans	-58.4	103.8	164.1	-90.4	144.9	-22.6	0	0	106.4	V32 A36	V32-Q34 HydrophobicContact CG1-CG 4.14Å; V32-Q34 PolarHBondContact O-N 2.98Å; Q34-A36 PolarHBondContact O-N 2.92Å
35	A	56.5	Low	57	Low	95 Å²	95	123.7 Å²	123.7	79%	0.785	75%	0.749	S	S	*	*			trans	-57.5	109	163.4	0	0	0	0	0	105.7	R33 S37	R33-A35 VanDerWaalsContact C-N 3.32Å; R33-A35 PolarHBondContact O-N 2.91Å; A35-S37 PolarHBondContact O-N 2.81Å
36	A	58.7	Low	58.4	Low	91 Å²	91	124.6 Å²	124.6	75%	0.752	74%	0.737	S	S	*	*			trans	-55.6	112.5	170.2	0	0	0	0	0	106.5	Q34 T38	Q34-A36 PolarHBondContact O-N 2.92Å; A36-T38 PolarHBondContact O-N 3.01Å
37	S	62	Low	59.9	Low	112 Å²	112	120.5 Å²	120.5	78%	0.783	72%	0.72	S	S	*	*			trans	-58.8	113.2	167.3	46.6	0	0	0	0	105.8	A35 A39	A35-S37 PolarHBondContact O-N 2.81Å; S37-A39 VanDerWaalsContact C-N 3.35Å; S37-A39 PolarHBondContact O-N 2.88Å
38	T	57.8	Low	61.9	Low	134 Å²	134	111.3 Å²	111.3	82%	0.822	67%	0.674	S	S	*	*			trans	-55.8	108.5	165.3	47.5	0	0	0	0	105.4	A36 S40	A36-T38 PolarHBondContact O-N 3.01Å; T38-S40 PolarHBondContact O-N 2.98Å
39	A	55.4	Low	63.7	Low	91 Å²	91	116.6 Å²	116.6	75%	0.752	68%	0.675	S	S	*	*			trans	-57.3	103.6	178	0	0	0	0	0	107.1	S37 T41	S37-A39 VanDerWaalsContact C-N 3.35Å; S37-A39 PolarHBondContact O-N 2.88Å; A39-T41 PolarHBondContact O-N 3.44Å; A39-T41 VanDerWaalsContact O-N 3.1Å
40	S	64.8	Low	65.5	Low	99 Å²	99	116.6 Å²	116.6	69%	0.692	66%	0.661	S	S	*	*			trans	-59.8	119.7	168.7	59.2	0	0	0	0	105.4	T38 F42	T38-S40 PolarHBondContact O-N 2.98Å; S40-F42 PolarHBondContact O-N 3.45Å
41	T	65.9	Low	67.3	Low	138 Å²	138	114.5 Å²	114.5	85%	0.847	64%	0.64	S	S	*	*			trans	-67.7	73	171.1	28.2	0	0	0	0	108.6	A39 V43	A39-T41 PolarHBondContact O-N 3.44Å; A39-T41 VanDerWaalsContact O-N 3.1Å; T41-V43 PolarHBondContact O-N 3.1Å; T41-V43 VanDerWaalsContact O-N 3.11Å
42	F	64.8	Low	69.4	Low	166 Å²	166	117 Å²	117	73%	0.728	64%	0.638	S	S	*	*			trans	-76.3	99.8	177.6	-175	-95.8	0	0	0	107.9	S40	S40-F42 PolarHBondContact O-N 3.45Å
43	V	75.7	Confident	71.3	Confident	78 Å²	78	115.3 Å²	115.3	47%	0.473	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-93	137.1	176.2	179.9	0	0	0	0	108.7	T41 P45 R103	T41-V43 PolarHBondContact O-N 3.1Å; T41-V43 VanDerWaalsContact O-N 3.11Å; V43-P45 WeakPolarHBondContact O-CD 3.25Å; V43-R103 VanDerWaalsContact CG1-NH1 3.34Å; V43-R103 VanDerWaalsContact CG2-NH1 3.3Å
44	K	77.8	Confident	73	Confident	182 Å²	182	104 Å²	104	79%	0.791	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-56.1	119.7	177.3	-66.7	176.9	-178.4	174.6	0	109.7
45	P	81.1	Confident	74.7	Confident	59 Å²	59	101.5 Å²	101.5	38%	0.383	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-66.7	147.4	175.2	25.8	-31.4	0	0	0	110.3	V43 S48	V43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-S48 WeakPolarHBondContact CB-O 3.46Å
46	I	76	Confident	76.5	Confident	87 Å²	87	103.8 Å²	103.8	45%	0.446	56%	0.555	S	S	.	*	S	Bend	trans	-79.1	-53.6	-178.5	-51.9	176.8	0	0	0	109.9	I110	I46-I110 HydrophobicContact CG2-CD1 4.48Å
47	F	76.5	Confident	78.1	Confident	123 Å²	123	102.1 Å²	102.1	54%	0.539	53%	0.53	S	S	.	.	S	Bend	trans	-138.8	-40.8	178.4	-69	-67.3	0	0	0	114.1	R57 D106 I110	F47-R57 VanDerWaalsContact C-NH1 3.26Å; F47-R57 PolarHBondContact O-NH1 3.11Å; F47-R57 PolarHBondContact O-NH2 2.97Å; F47-D106 HydrophobicContact CD2-CB 4.44Å; F47-D106 PolarHBondContact N-OD2 2.89Å; F47-I110 HydrophobicContact CD2-CD1 3.99Å; F47-I110 HydrophobicContact CD2-CG1 4.37Å; F47-I110 HydrophobicContact CE2-CD1 3.48Å; F47-I110 VanDerWaalsContact CE2-CD1 3.48Å; F47-I110 HydrophobicContact CE2-CG1 3.88Å
48	S	77.4	Confident	79.7	Confident	3 Å²	3	98.8 Å²	98.8	2%	0.021	50%	0.504	C	S	.	.			trans	-91.8	134.3	-179.9	54	0	0	0	0	110.9	P45 E53 R57 P102 D106	P45-S48 WeakPolarHBondContact CB-O 3.46Å; S48-E53 WeakPolarHBondContact CA-OE2 3.42Å; S48-R57 VanDerWaalsContact CA-NH1 3.29Å; S48-R57 VanDerWaalsContact CB-NH1 3.29Å; S48-P102 WeakPolarHBondContact OG-CB 3.23Å; S48-D106 WeakPolarHBondContact CB-OD2 3.41Å; S48-D106 PolarHBondContact N-OD2 3.36Å; S48-D106 PolarHBondContact OG-OD1 2.7Å; S48-D106 PolarHBondContact OG-OD2 2.92Å
49	R	81.3	Confident	81.4	Confident	203 Å²	203	100.1 Å²	100.1	77%	0.766	49%	0.494	S	S	*	.	S	Bend	trans	-85.1	-37.9	166.5	-63.7	180	177.7	-178.3	-0.6	110.4	E53	R49-E53 PolarHBondContact N-OE2 3.41Å
50	D	84.4	Confident	83.4	Confident	99 Å²	99	99.5 Å²	99.5	53%	0.529	48%	0.476	S	S	.	.	S	Bend	trans	-128	154.8	-175.5	-60.1	-52.7	0	0	0	112.7	N52 E53 A54	D50-N52 PolarHBondContact O-N 3.09Å; D50-N52 VanDerWaalsContact O-N 3.12Å; D50-E53 WeakPolarHBondContact O-CB 3.26Å; D50-E53 PolarHBondContact O-N 3.35Å; D50-E53 VanDerWaalsContact O-N 3.09Å; D50-A54 PolarHBondContact O-N 3.44Å
51	M	87.6	Confident	84.8	Confident	59 Å²	59	95.2 Å²	95.2	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-25.9	177.3	-77.3	-61.1	-80	0	0	113.8	E53 A54 K55 T100 P102 V105	M51-E53 VanDerWaalsContact C-N 3.35Å; M51-A54 PolarHBondContact O-N 3.29Å; M51-K55 WeakPolarHBondContact O-CB 3.5Å; M51-K55 VanDerWaalsContact O-CG 3.26Å; M51-K55 WeakPolarHBondContact O-CG 3.45Å; M51-K55 PolarHBondContact O-N 3.05Å; M51-T100 WeakPolarHBondContact CE-O 3.45Å; M51-T100 VanDerWaalsContact SD-O 3.36Å; M51-P102 HydrophobicContact CG-CG 3.97Å; M51-P102 HydrophobicContact SD-CB 3.91Å; M51-P102 HydrophobicContact SD-CG 3.54Å; M51-P102 VanDerWaalsContact SD-CG 3.54Å; M51-V105 HydrophobicContact CE-CG2 4.48Å
52	N	91.3	Very high	86.3	Confident	120 Å²	120	92.1 Å²	92.1	64%	0.642	42%	0.418	S	S	*	.	H	α-helix	trans	-67	-37.6	177.8	-67.8	-31.4	0	0	0	111.9	D50 R56	D50-N52 PolarHBondContact O-N 3.09Å; D50-N52 VanDerWaalsContact O-N 3.12Å; N52-R56 PolarHBondContact O-N 3.12Å
53	E	90.8	Very high	87.8	Confident	73 Å²	73	91.4 Å²	91.4	34%	0.341	41%	0.411	S	S	.	.	H	α-helix	trans	-68.4	-43.9	175.4	-61	-176.1	154.4	0	0	110.8	S48 R49 D50 M51 K55 R56 R57	S48-E53 WeakPolarHBondContact CA-OE2 3.42Å; R49-E53 PolarHBondContact N-OE2 3.41Å; D50-E53 WeakPolarHBondContact O-CB 3.26Å; D50-E53 PolarHBondContact O-N 3.35Å; D50-E53 VanDerWaalsContact O-N 3.09Å; M51-E53 VanDerWaalsContact C-N 3.35Å; E53-K55 PolarHBondContact O-N 3.45Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.49Å; E53-R56 VanDerWaalsContact O-N 3.14Å; E53-R57 PolarHBondContact O-N 2.76Å; E53-R57 VanDerWaalsContact O-N 3.09Å
54	A	91.1	Very high	88.7	Confident	0 Å²	0	89.6 Å²	89.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-58.6	-47	175.5	0	0	0	0	0	111.1	D50 M51 R56 R57 V58 V105	D50-A54 PolarHBondContact O-N 3.44Å; M51-A54 PolarHBondContact O-N 3.29Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.89Å; A54-R57 PolarHBondContact O-N 3.2Å; A54-R57 VanDerWaalsContact O-N 3.16Å; A54-V58 WeakPolarHBondContact O-CG2 3.49Å; A54-V58 PolarHBondContact O-N 2.99Å; A54-V105 HydrophobicContact CB-CB 4.26Å; A54-V105 HydrophobicContact CB-CG1 3.88Å
55	K	92.1	Very high	89.6	Confident	120 Å²	120	83.1 Å²	83.1	52%	0.522	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-33.7	175.3	-74.3	174.4	-177.5	179.6	0	113.2	M51 E53 R59	M51-K55 WeakPolarHBondContact O-CB 3.5Å; M51-K55 VanDerWaalsContact O-CG 3.26Å; M51-K55 WeakPolarHBondContact O-CG 3.45Å; M51-K55 PolarHBondContact O-N 3.05Å; E53-K55 PolarHBondContact O-N 3.45Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.95Å; K55-R59 PolarHBondContact O-NE 3.39Å
56	R	94.2	Very high	90.2	Very high	142 Å²	142	85 Å²	85	54%	0.536	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-48.9	173.8	179.9	178.8	174.5	-83.9	-1.7	110.5	N52 E53 A54 V58 R59 E60	N52-R56 PolarHBondContact O-N 3.12Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.49Å; E53-R56 VanDerWaalsContact O-N 3.14Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.89Å; R56-V58 PolarHBondContact O-N 3.49Å; R56-R59 PolarHBondContact O-N 3.1Å; R56-E60 IonicContact CZ-OE1 3.15Å; R56-E60 IonicContact NE-OE1 2.69Å; R56-E60 PolarHBondContact NE-OE1 3.17Å; R56-E60 IonicContact NH1-OE1 3.57Å; R56-E60 PolarHBondContact NH1-OE1 2.96Å; R56-E60 IonicContact NH1-OE2 2.93Å; R56-E60 IonicContact NH2-OE1 3.45Å; R56-E60 PolarHBondContact NH2-OE1 3.18Å; R56-E60 WeakPolarHBondContact O-CG 3.25Å; R56-E60 PolarHBondContact O-N 3.2Å
57	R	92.8	Very high	91.1	Very high	57 Å²	57	89.2 Å²	89.2	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-65.1	-39.4	-179.8	-64.1	-175	-171.4	115.8	4.4	113	F47 S48 E53 A54 R59 E60 L61 D106 V109	F47-R57 VanDerWaalsContact C-NH1 3.26Å; F47-R57 PolarHBondContact O-NH1 3.11Å; F47-R57 PolarHBondContact O-NH2 2.97Å; S48-R57 VanDerWaalsContact CA-NH1 3.29Å; S48-R57 VanDerWaalsContact CB-NH1 3.29Å; E53-R57 PolarHBondContact O-N 2.76Å; E53-R57 VanDerWaalsContact O-N 3.09Å; A54-R57 PolarHBondContact O-N 3.2Å; A54-R57 VanDerWaalsContact O-N 3.16Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.18Å; R57-E60 PolarHBondContact O-N 3.22Å; R57-L61 WeakPolarHBondContact O-CB 3.46Å; R57-L61 PolarHBondContact O-N 3.18Å; R57-D106 IonicContact NH1-OD1 2.65Å; R57-D106 PolarHBondContact NH1-OD1 3.09Å; R57-D106 VanDerWaalsContact NH1-OD1 3.15Å; R57-V109 HydrophobicContact CB-CG1 4.26Å
58	V	94.6	Very high	92	Very high	42 Å²	42	84.4 Å²	84.4	26%	0.255	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-43.6	174.4	173	0	0	0	0	111.1	A54 R56 L61 Y62 F93 V105 V109	A54-V58 WeakPolarHBondContact O-CG2 3.49Å; A54-V58 PolarHBondContact O-N 2.99Å; R56-V58 PolarHBondContact O-N 3.49Å; V58-L61 PolarHBondContact O-N 3.15Å; V58-Y62 PolarHBondContact O-N 3.11Å; V58-F93 HydrophobicContact CG1-CD1 4.15Å; V58-F93 HydrophobicContact CG1-CE1 4.06Å; V58-V105 HydrophobicContact CG2-CG1 3.55Å; V58-V109 HydrophobicContact CB-CG2 4.45Å; V58-V109 HydrophobicContact CG2-CG2 3.5Å; V58-V109 VanDerWaalsContact CG2-CG2 3.5Å
59	R	94.6	Very high	92.8	Very high	162 Å²	162	84.6 Å²	84.6	61%	0.611	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-38.9	177.1	-74.9	-177	-68.5	160.7	-3	112.6	K55 R56 R57 Y62 R63	K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.95Å; K55-R59 PolarHBondContact O-NE 3.39Å; R56-R59 PolarHBondContact O-N 3.1Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.18Å; R59-Y62 PolarHBondContact O-N 3.04Å; R59-R63 VanDerWaalsContact O-CG 3.28Å; R59-R63 WeakPolarHBondContact O-CG 3.18Å; R59-R63 PolarHBondContact O-N 3.3Å
60	E	95.9	Very high	93.5	Very high	78 Å²	78	77 Å²	77	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-46.4	174.3	-72.5	169.6	179.9	0	0	111.2	R56 R57 Y62 R63 A64	R56-E60 IonicContact CZ-OE1 3.15Å; R56-E60 IonicContact NE-OE1 2.69Å; R56-E60 PolarHBondContact NE-OE1 3.17Å; R56-E60 IonicContact NH1-OE1 3.57Å; R56-E60 PolarHBondContact NH1-OE1 2.96Å; R56-E60 IonicContact NH1-OE2 2.93Å; R56-E60 IonicContact NH2-OE1 3.45Å; R56-E60 PolarHBondContact NH2-OE1 3.18Å; R56-E60 WeakPolarHBondContact O-CG 3.25Å; R56-E60 PolarHBondContact O-N 3.2Å; R57-E60 PolarHBondContact O-N 3.22Å; E60-Y62 PolarHBondContact O-N 3.49Å; E60-R63 PolarHBondContact O-N 3.16Å; E60-A64 PolarHBondContact O-N 2.89Å
61	L	96	Very high	93.9	Very high	8 Å²	8	76.5 Å²	76.5	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-45.3	175.9	-179.8	62.6	0	0	0	111.7	R57 V58 R63 A64 W65 F93 V109 K113 L116	R57-L61 WeakPolarHBondContact O-CB 3.46Å; R57-L61 PolarHBondContact O-N 3.18Å; V58-L61 PolarHBondContact O-N 3.15Å; L61-R63 VanDerWaalsContact C-N 3.33Å; L61-R63 PolarHBondContact O-N 2.69Å; L61-A64 WeakPolarHBondContact O-CB 3.36Å; L61-A64 PolarHBondContact O-N 3.13Å; L61-W65 PolarHBondContact O-N 3.1Å; L61-F93 HydrophobicContact CD2-CE1 4.28Å; L61-F93 HydrophobicContact CD2-CZ 4.07Å; L61-F93 HydrophobicContact CG-CZ 4.05Å; L61-V109 HydrophobicContact CD2-CB 4.49Å; L61-V109 HydrophobicContact CD2-CG1 4.28Å; L61-K113 HydrophobicContact CD1-CG 3.82Å; L61-L116 HydrophobicContact CD1-CD2 4.42Å
62	Y	96.1	Very high	94.2	Very high	74 Å²	74	74.2 Å²	74.2	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-41.8	177.2	-178.3	-97.8	0	0	0	112.3	V58 R59 E60 A64 W65 Y66 V89 F93	V58-Y62 PolarHBondContact O-N 3.11Å; R59-Y62 PolarHBondContact O-N 3.04Å; E60-Y62 PolarHBondContact O-N 3.49Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.96Å; Y62-W65 PolarHBondContact O-N 3.45Å; Y62-Y66 WeakPolarHBondContact O-CB 3.36Å; Y62-Y66 PolarHBondContact O-N 3.02Å; Y62-V89 HydrophobicContact CD2-CG1 4.33Å; Y62-V89 HydrophobicContact CE2-CG1 4.2Å; Y62-F93 AromaticContact CD2-CD2 3.71Å; Y62-F93 HydrophobicContact CD2-CD2 3.71Å; Y62-F93 AromaticContact CD2-CE2 3.85Å; Y62-F93 HydrophobicContact CD2-CE2 3.85Å; Y62-F93 HydrophobicContact CD2-CG 4.18Å; Y62-F93 HydrophobicContact CD2-CZ 4.4Å; Y62-F93 HydrophobicContact CE2-CD2 4.31Å
63	R	95.9	Very high	94.2	Very high	151 Å²	151	69.4 Å²	69.4	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-64.9	-37.9	176.4	-71	166.3	66.7	91.2	-3.1	112.2	R59 E60 L61 R67	R59-R63 VanDerWaalsContact O-CG 3.28Å; R59-R63 WeakPolarHBondContact O-CG 3.18Å; R59-R63 PolarHBondContact O-N 3.3Å; E60-R63 PolarHBondContact O-N 3.16Å; L61-R63 VanDerWaalsContact C-N 3.33Å; L61-R63 PolarHBondContact O-N 2.69Å; R63-R67 WeakPolarHBondContact O-CG 3.39Å; R63-R67 PolarHBondContact O-N 3.32Å
64	A	96.2	Very high	94.3	Very high	40 Å²	40	73.4 Å²	73.4	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-49.3	176.3	0	0	0	0	0	110.9	E60 L61 Y62 Y66 R67 E68 L116	E60-A64 PolarHBondContact O-N 2.89Å; L61-A64 WeakPolarHBondContact O-CB 3.36Å; L61-A64 PolarHBondContact O-N 3.13Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.96Å; A64-Y66 VanDerWaalsContact C-N 3.33Å; A64-Y66 PolarHBondContact O-N 3.31Å; A64-R67 PolarHBondContact O-N 3.18Å; A64-E68 PolarHBondContact O-N 3.47Å; A64-E68 VanDerWaalsContact O-N 3.14Å; A64-L116 HydrophobicContact CB-CD2 3.72Å
65	W	95.7	Very high	94.4	Very high	45 Å²	45	78 Å²	78	17%	0.17	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-44.2	174.6	-86.2	99.9	0	0	0	112.6	L61 Y62 R67 E68 V69 V89 G112 E115 L116	L61-W65 PolarHBondContact O-N 3.1Å; Y62-W65 PolarHBondContact O-N 3.45Å; W65-R67 PolarHBondContact O-N 2.61Å; W65-E68 PolarHBondContact O-N 3.35Å; W65-V69 WeakPolarHBondContact O-CG2 3.35Å; W65-V69 PolarHBondContact O-N 3.14Å; W65-V89 HydrophobicContact CB-CG1 4.02Å; W65-V89 HydrophobicContact CE3-CG2 4.35Å; W65-G112 PolarHBondContact NE1-O 3.03Å; W65-E115 HydrophobicContact CZ2-CB 3.98Å; W65-L116 HydrophobicContact CD2-CD1 3.84Å; W65-L116 HydrophobicContact CE3-CD1 4.06Å; W65-L116 HydrophobicContact CG-CD1 4.27Å; W65-L116 HydrophobicContact CH2-CD1 4.37Å; W65-L116 HydrophobicContact CZ2-CB 3.79Å; W65-L116 HydrophobicContact CZ2-CD1 4.17Å; W65-L116 HydrophobicContact CZ3-CD1 4.31Å
66	Y	94.6	Very high	94.3	Very high	99 Å²	99	73.3 Å²	73.3	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-33.8	-178	-167.8	-90.8	0	0	0	113.7	Y62 A64 R86	Y62-Y66 WeakPolarHBondContact O-CB 3.36Å; Y62-Y66 PolarHBondContact O-N 3.02Å; A64-Y66 VanDerWaalsContact C-N 3.33Å; A64-Y66 PolarHBondContact O-N 3.31Å; Y66-R86 HydrophobicContact CD2-CG 4.02Å; Y66-R86 HydrophobicContact CE2-CB 4.26Å; Y66-R86 HydrophobicContact CE2-CG 3.8Å; Y66-R86 VanDerWaalsContact CZ-CZ 3.43Å; Y66-R86 VanDerWaalsContact CZ-NE 3.34Å; Y66-R86 PolarHBondContact OH-NH1 3.24Å
67	R	95	Very high	94.1	Very high	175 Å²	175	73.9 Å²	73.9	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-77.1	-30.2	175.9	-68.2	174.7	-177.8	-169.5	-2.9	112.3	R63 A64 W65 P70	R63-R67 WeakPolarHBondContact O-CG 3.39Å; R63-R67 PolarHBondContact O-N 3.32Å; A64-R67 PolarHBondContact O-N 3.18Å; W65-R67 PolarHBondContact O-N 2.61Å; R67-P70 WeakPolarHBondContact O-CD 3.44Å
68	E	93.9	Very high	93.9	Very high	23 Å²	23	71.8 Å²	71.8	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-81.9	-29.3	-176	-169.2	50.4	-148.8	0	0	113	A64 W65 N71 T72 L116 I120	A64-E68 PolarHBondContact O-N 3.47Å; A64-E68 VanDerWaalsContact O-N 3.14Å; W65-E68 PolarHBondContact O-N 3.35Å; E68-N71 WeakPolarHBondContact O-CB 3.28Å; E68-N71 PolarHBondContact O-N 3.09Å; E68-N71 PolarHBondContact OE2-ND2 2.98Å; E68-N71 VanDerWaalsContact OE2-ND2 3.08Å; E68-T72 HydrophobicContact CG-CG2 3.77Å; E68-T72 WeakPolarHBondContact O-CG2 3.18Å; E68-T72 PolarHBondContact O-N 3.46Å; E68-T72 PolarHBondContact O-OG1 3.32Å; E68-T72 WeakPolarHBondContact OE1-CG2 3.45Å; E68-L116 HydrophobicContact CB-CD1 3.93Å; E68-L116 HydrophobicContact CG-CD1 3.8Å; E68-I120 HydrophobicContact CG-CG1 3.87Å
69	V	94.7	Very high	93.6	Very high	7 Å²	7	76.2 Å²	76.2	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-50.8	-46.3	-179.1	170.1	0	0	0	0	114.4	W65 N71 T72 V73 V82 R86 V89	W65-V69 WeakPolarHBondContact O-CG2 3.35Å; W65-V69 PolarHBondContact O-N 3.14Å; V69-N71 VanDerWaalsContact C-N 3.34Å; V69-N71 PolarHBondContact O-N 3.41Å; V69-T72 PolarHBondContact O-N 3.13Å; V69-T72 PolarHBondContact O-OG1 2.89Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.28Å; V69-V73 WeakPolarHBondContact O-CG2 3.32Å; V69-V73 PolarHBondContact O-N 3.47Å; V69-V73 VanDerWaalsContact O-N 3.08Å; V69-V82 HydrophobicContact CG1-CG1 4.27Å; V69-R86 HydrophobicContact CB-CG 4.38Å; V69-R86 HydrophobicContact CG1-CG 4.11Å; V69-V89 HydrophobicContact CG2-CG2 3.79Å
70	P	95.3	Very high	93.2	Very high	42 Å²	42	69.3 Å²	69.3	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-38.4	176.7	-20.5	32.6	0	0	0	113.2	R67 T72 H74 V82	R67-P70 WeakPolarHBondContact O-CD 3.44Å; P70-T72 VanDerWaalsContact C-N 3.35Å; P70-H74 PolarHBondContact O-N 3Å; P70-V82 HydrophobicContact CB-CG1 4.35Å; P70-V82 HydrophobicContact CG-CG1 3.91Å
71	N	93.9	Very high	93.1	Very high	89 Å²	89	69.4 Å²	69.4	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-44.4	178.7	-62.7	-21.5	0	0	0	110.3	E68 V69 H74 Q75	E68-N71 WeakPolarHBondContact O-CB 3.28Å; E68-N71 PolarHBondContact O-N 3.09Å; E68-N71 PolarHBondContact OE2-ND2 2.98Å; E68-N71 VanDerWaalsContact OE2-ND2 3.08Å; V69-N71 VanDerWaalsContact C-N 3.34Å; V69-N71 PolarHBondContact O-N 3.41Å; N71-H74 PolarHBondContact O-N 3.46Å; N71-Q75 VanDerWaalsContact O-CB 3.23Å; N71-Q75 WeakPolarHBondContact O-CB 3.38Å; N71-Q75 PolarHBondContact O-N 3.17Å
72	T	92.7	Very high	92.9	Very high	11 Å²	11	71.4 Å²	71.4	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-39.5	-177.9	59.7	0	0	0	0	112.4	E68 V69 P70 H74 Q75 F76 T119	E68-T72 HydrophobicContact CG-CG2 3.77Å; E68-T72 WeakPolarHBondContact O-CG2 3.18Å; E68-T72 PolarHBondContact O-N 3.46Å; E68-T72 PolarHBondContact O-OG1 3.32Å; E68-T72 WeakPolarHBondContact OE1-CG2 3.45Å; V69-T72 PolarHBondContact O-N 3.13Å; V69-T72 PolarHBondContact O-OG1 2.89Å; P70-T72 VanDerWaalsContact C-N 3.35Å; T72-H74 VanDerWaalsContact C-N 3.28Å; T72-H74 PolarHBondContact O-N 3.35Å; T72-Q75 PolarHBondContact O-N 3.13Å; T72-F76 WeakPolarHBondContact O-CB 3.06Å; T72-F76 VanDerWaalsContact O-CD2 3.25Å; T72-F76 WeakPolarHBondContact O-CD2 3.4Å; T72-F76 PolarHBondContact O-N 3.08Å; T72-T119 HydrophobicContact CG2-CG2 3.33Å
73	V	92.8	Very high	92.8	Very high	19 Å²	19	75 Å²	75	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-42.7	173.9	171.3	0	0	0	0	111	V69 Q77 L78 I80 V82	V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.28Å; V69-V73 WeakPolarHBondContact O-CG2 3.32Å; V69-V73 PolarHBondContact O-N 3.47Å; V69-V73 VanDerWaalsContact O-N 3.08Å; V73-Q77 WeakPolarHBondContact O-CA 3.05Å; V73-Q77 PolarHBondContact O-N 3.26Å; V73-L78 HydrophobicContact CG2-CD1 4.3Å; V73-L78 PolarHBondContact O-N 3.01Å; V73-L78 VanDerWaalsContact O-N 3.08Å; V73-I80 HydrophobicContact CG2-CD1 4.31Å; V73-I80 HydrophobicContact CG2-CG1 4.19Å; V73-V82 HydrophobicContact CB-CG2 4.49Å; V73-V82 HydrophobicContact CG1-CG2 4.35Å
74	H	92.8	Very high	92.7	Very high	157 Å²	157	72.2 Å²	72.2	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-71.1	-47.2	178.3	-176.2	63.6	0	0	0	112.5	P70 N71 T72 F76 Q77	P70-H74 PolarHBondContact O-N 3Å; N71-H74 PolarHBondContact O-N 3.46Å; T72-H74 VanDerWaalsContact C-N 3.28Å; T72-H74 PolarHBondContact O-N 3.35Å; H74-F76 PolarHBondContact O-N 3.33Å; H74-Q77 PolarHBondContact O-N 2.77Å
75	Q	92.9	Very high	92.5	Very high	97 Å²	97	70.6 Å²	70.6	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-66.8	-38.2	-174.6	-170.7	165	38.6	0	0	112.9	N71 T72 V122	N71-Q75 VanDerWaalsContact O-CB 3.23Å; N71-Q75 WeakPolarHBondContact O-CB 3.38Å; N71-Q75 PolarHBondContact O-N 3.17Å; T72-Q75 PolarHBondContact O-N 3.13Å; Q75-V122 VanDerWaalsContact CD-CG2 3.42Å; Q75-V122 HydrophobicContact CG-CG2 4.32Å
76	F	90.8	Very high	92.4	Very high	22 Å²	22	72.1 Å²	72.1	10%	0.096	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.4	176.9	-64	-64.9	0	0	0	113.7	T72 H74 L78 T119 V122 K124 V129	T72-F76 WeakPolarHBondContact O-CB 3.06Å; T72-F76 VanDerWaalsContact O-CD2 3.25Å; T72-F76 WeakPolarHBondContact O-CD2 3.4Å; T72-F76 PolarHBondContact O-N 3.08Å; H74-F76 PolarHBondContact O-N 3.33Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 HydrophobicContact CB-CD1 4.5Å; F76-L78 HydrophobicContact CB-CD2 3.73Å; F76-L78 HydrophobicContact CB-CG 3.86Å; F76-L78 PolarHBondContact O-N 2.78Å; F76-T119 HydrophobicContact CE2-CG2 4.01Å; F76-V122 HydrophobicContact CE1-CG1 3.67Å; F76-V122 HydrophobicContact CZ-CG1 3.92Å; F76-K124 WeakPolarHBondContact CE1-O 3.41Å; F76-V129 HydrophobicContact CD2-CG2 4.15Å; F76-V129 HydrophobicContact CE2-CG2 4.22Å
77	Q	89.9	Confident	92.4	Very high	153 Å²	153	71.5 Å²	71.5	72%	0.715	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	57	-175.7	-60.3	178.4	-2	0	0	111.2	V73 H74 R126	V73-Q77 WeakPolarHBondContact O-CA 3.05Å; V73-Q77 PolarHBondContact O-N 3.26Å; H74-Q77 PolarHBondContact O-N 2.77Å; Q77-R126 PolarHBondContact O-NH1 2.83Å; Q77-R126 VanDerWaalsContact O-NH1 3.09Å
78	L	87.4	Confident	92.3	Very high	14 Å²	14	64.5 Å²	64.5	7%	0.073	32%	0.324	C	S	.	.			trans	-78.8	141.6	-178.4	-55.5	175.2	0	0	0	110.4	V73 F76 I80 R126 V129 M130	V73-L78 HydrophobicContact CG2-CD1 4.3Å; V73-L78 PolarHBondContact O-N 3.01Å; V73-L78 VanDerWaalsContact O-N 3.08Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 HydrophobicContact CB-CD1 4.5Å; F76-L78 HydrophobicContact CB-CD2 3.73Å; F76-L78 HydrophobicContact CB-CG 3.86Å; F76-L78 PolarHBondContact O-N 2.78Å; L78-I80 HydrophobicContact CB-CD1 4.32Å; L78-I80 HydrophobicContact CB-CG1 3.78Å; L78-I80 HydrophobicContact CD1-CD1 3.89Å; L78-I80 HydrophobicContact CD1-CG1 4.25Å; L78-I80 PolarHBondContact O-N 3.48Å; L78-I80 VanDerWaalsContact O-N 3.09Å; L78-R126 HydrophobicContact CD2-CG 3.77Å; L78-V129 HydrophobicContact CD1-CB 4.49Å; L78-V129 HydrophobicContact CD1-CG1 3.72Å; L78-M130 HydrophobicContact CD2-CG 4.31Å; L78-M130 HydrophobicContact CD2-SD 4.03Å
79	D	87.8	Confident	92.3	Very high	135 Å²	135	64.5 Å²	64.5	72%	0.722	33%	0.325	S	S	*	.	S	Bend	trans	-78.7	12.8	178.5	-53.6	-27.9	0	0	0	112.9	R126	D79-R126 IonicContact OD1-NH2 3.01Å; D79-R126 PolarHBondContact OD1-NH2 3.46Å; D79-R126 IonicContact OD2-CZ 3.89Å; D79-R126 IonicContact OD2-NH2 2.77Å; D79-R126 PolarHBondContact OD2-NH2 2.94Å
80	I	87.8	Confident	92.2	Very high	16 Å²	16	71.1 Å²	71.1	8%	0.082	35%	0.349	C	S	.	.	S	Bend	trans	-98.1	150.7	-179.5	65.6	177.5	0	0	0	111.3	V73 L78 M130 F133	V73-I80 HydrophobicContact CG2-CD1 4.31Å; V73-I80 HydrophobicContact CG2-CG1 4.19Å; L78-I80 HydrophobicContact CB-CD1 4.32Å; L78-I80 HydrophobicContact CB-CG1 3.78Å; L78-I80 HydrophobicContact CD1-CD1 3.89Å; L78-I80 HydrophobicContact CD1-CG1 4.25Å; L78-I80 PolarHBondContact O-N 3.48Å; L78-I80 VanDerWaalsContact O-N 3.09Å; I80-M130 HydrophobicContact CG2-CE 4.4Å; I80-M130 HydrophobicContact CG2-SD 4.49Å; I80-F133 HydrophobicContact CD1-CE1 4.07Å; I80-F133 HydrophobicContact CD1-CE2 3.6Å; I80-F133 HydrophobicContact CD1-CZ 3.32Å
81	T	93	Very high	92.2	Very high	80 Å²	80	73 Å²	73	49%	0.491	35%	0.354	S	S	.	.			trans	-74.6	148	170	69	0	0	0	0	111.1	K83 M84 G85	T81-K83 PolarHBondContact O-N 2.89Å; T81-K83 VanDerWaalsContact O-N 3.15Å; T81-M84 HydrophobicContact CG2-SD 4.47Å; T81-M84 WeakPolarHBondContact O-CB 3.5Å; T81-M84 PolarHBondContact O-N 3.39Å; T81-M84 VanDerWaalsContact OG1-CG 3.23Å; T81-M84 WeakPolarHBondContact OG1-CG 3.17Å; T81-M84 PolarHBondContact OG1-N 3.01Å; T81-G85 PolarHBondContact O-N 3.22Å; T81-G85 VanDerWaalsContact O-N 3.08Å
82	V	92.8	Very high	92.1	Very high	50 Å²	50	72 Å²	72	30%	0.303	35%	0.348	S	S	.	.	H	α-helix	trans	-56.4	-33	175.5	177.8	0	0	0	0	111.8	V69 P70 V73 G85 R86	V69-V82 HydrophobicContact CG1-CG1 4.27Å; P70-V82 HydrophobicContact CB-CG1 4.35Å; P70-V82 HydrophobicContact CG-CG1 3.91Å; V73-V82 HydrophobicContact CB-CG2 4.49Å; V73-V82 HydrophobicContact CG1-CG2 4.35Å; V82-G85 PolarHBondContact O-N 3.33Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.44Å
83	K	93.9	Very high	92.2	Very high	150 Å²	150	74.2 Å²	74.2	65%	0.652	36%	0.356	S	S	*	.	H	α-helix	trans	-63	-50	175.7	-175.5	-175.8	172.9	-171.7	0	111	T81 G85 R86 D87	T81-K83 PolarHBondContact O-N 2.89Å; T81-K83 VanDerWaalsContact O-N 3.15Å; K83-G85 VanDerWaalsContact C-N 3.27Å; K83-G85 PolarHBondContact O-N 3.43Å; K83-R86 PolarHBondContact O-N 2.92Å; K83-R86 VanDerWaalsContact O-N 3.1Å; K83-D87 PolarHBondContact O-N 3.47Å
84	M	92.3	Very high	92.2	Very high	92 Å²	92	79.1 Å²	79.1	45%	0.453	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.6	-70.6	169.4	70.9	0	0	111.9	T81 R86 D87 K88	T81-M84 HydrophobicContact CG2-SD 4.47Å; T81-M84 WeakPolarHBondContact O-CB 3.5Å; T81-M84 PolarHBondContact O-N 3.39Å; T81-M84 VanDerWaalsContact OG1-CG 3.23Å; T81-M84 WeakPolarHBondContact OG1-CG 3.17Å; T81-M84 PolarHBondContact OG1-N 3.01Å; M84-R86 PolarHBondContact O-N 3.26Å; M84-D87 PolarHBondContact O-N 3.2Å; M84-K88 WeakPolarHBondContact O-CB 3.46Å; M84-K88 PolarHBondContact O-N 3.44Å
85	G	92.1	Very high	92.2	Very high	7 Å²	7	76.3 Å²	76.3	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-45.7	173.7	0	0	0	0	0	112.9	T81 V82 K83 K88 V89	T81-G85 PolarHBondContact O-N 3.22Å; T81-G85 VanDerWaalsContact O-N 3.08Å; V82-G85 PolarHBondContact O-N 3.33Å; K83-G85 VanDerWaalsContact C-N 3.27Å; K83-G85 PolarHBondContact O-N 3.43Å; G85-K88 PolarHBondContact O-N 3.29Å; G85-V89 WeakPolarHBondContact O-CG2 3.35Å; G85-V89 PolarHBondContact O-N 2.91Å
86	R	93.8	Very high	92.2	Very high	76 Å²	76	75.3 Å²	75.3	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-66.2	-41.4	177.5	-72.4	169.3	172.2	172.5	5.9	112.5	Y66 V69 V82 K83 M84 K88 V89 R90	Y66-R86 HydrophobicContact CD2-CG 4.02Å; Y66-R86 HydrophobicContact CE2-CB 4.26Å; Y66-R86 HydrophobicContact CE2-CG 3.8Å; Y66-R86 VanDerWaalsContact CZ-CZ 3.43Å; Y66-R86 VanDerWaalsContact CZ-NE 3.34Å; Y66-R86 PolarHBondContact OH-NH1 3.24Å; V69-R86 HydrophobicContact CB-CG 4.38Å; V69-R86 HydrophobicContact CG1-CG 4.11Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.44Å; K83-R86 PolarHBondContact O-N 2.92Å; K83-R86 VanDerWaalsContact O-N 3.1Å; M84-R86 PolarHBondContact O-N 3.26Å; R86-K88 VanDerWaalsContact C-N 3.26Å; R86-K88 PolarHBondContact O-N 3.06Å; R86-V89 PolarHBondContact O-N 3.47Å; R86-R90 PolarHBondContact O-N 3.1Å
87	D	94.9	Very high	92.2	Very high	86 Å²	86	78 Å²	78	46%	0.46	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-37.3	177	-68.2	-25.5	0	0	0	110.7	K83 M84 R90 E91	K83-D87 PolarHBondContact O-N 3.47Å; M84-D87 PolarHBondContact O-N 3.2Å; D87-R90 WeakPolarHBondContact O-CB 3.07Å; D87-R90 PolarHBondContact O-N 3.37Å; D87-E91 PolarHBondContact O-N 3.35Å
88	K	92.4	Very high	92.3	Very high	29 Å²	29	77.5 Å²	77.5	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-42.5	175.5	-167.3	55.2	165.2	-169.6	0	112.9	M84 G85 R86 R90 E91 M92 F132 F133	M84-K88 WeakPolarHBondContact O-CB 3.46Å; M84-K88 PolarHBondContact O-N 3.44Å; G85-K88 PolarHBondContact O-N 3.29Å; R86-K88 VanDerWaalsContact C-N 3.26Å; R86-K88 PolarHBondContact O-N 3.06Å; K88-R90 VanDerWaalsContact C-N 3.26Å; K88-R90 PolarHBondContact O-N 3.15Å; K88-E91 HydrophobicContact CD-CB 4.4Å; K88-E91 WeakPolarHBondContact CD-OE2 3.3Å; K88-E91 WeakPolarHBondContact CE-OE2 3.43Å; K88-E91 VanDerWaalsContact NZ-CD 3.26Å; K88-E91 IonicContact NZ-OE1 3.88Å; K88-E91 PolarHBondContact NZ-OE1 3.09Å; K88-E91 IonicContact NZ-OE2 2.58Å; K88-E91 PolarHBondContact NZ-OE2 3.46Å; K88-E91 WeakPolarHBondContact O-CB 3.41Å; K88-E91 PolarHBondContact O-N 2.99Å; K88-M92 WeakPolarHBondContact O-CG 3.45Å; K88-M92 PolarHBondContact O-N 3.37Å; K88-F132 WeakPolarHBondContact CE-O 3.37Å; K88-F132 PolarHBondContact NZ-O 3.08Å; K88-F133 HydrophobicContact CB-CE1 3.75Å; K88-F133 HydrophobicContact CB-CZ 3.99Å; K88-F133 HydrophobicContact CG-CD1 4.36Å; K88-F133 HydrophobicContact CG-CE1 3.93Å; K88-F133 HydrophobicContact CG-CZ 4.11Å
89	V	94	Very high	92.5	Very high	22 Å²	22	78.2 Å²	78.2	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-54.9	-48.2	171.4	171	0	0	0	0	109.4	Y62 W65 V69 G85 R86 E91 M92 F93	Y62-V89 HydrophobicContact CD2-CG1 4.33Å; Y62-V89 HydrophobicContact CE2-CG1 4.2Å; W65-V89 HydrophobicContact CB-CG1 4.02Å; W65-V89 HydrophobicContact CE3-CG2 4.35Å; V69-V89 HydrophobicContact CG2-CG2 3.79Å; G85-V89 WeakPolarHBondContact O-CG2 3.35Å; G85-V89 PolarHBondContact O-N 2.91Å; R86-V89 PolarHBondContact O-N 3.47Å; V89-E91 PolarHBondContact O-N 3.32Å; V89-M92 PolarHBondContact O-N 2.94Å; V89-F93 HydrophobicContact CG1-CD2 3.83Å; V89-F93 HydrophobicContact CG1-CE2 3.74Å; V89-F93 VanDerWaalsContact O-CD2 3.28Å; V89-F93 WeakPolarHBondContact O-CD2 3.48Å; V89-F93 PolarHBondContact O-N 3.41Å; V89-F93 VanDerWaalsContact O-N 3.09Å
90	R	94	Very high	92.6	Very high	146 Å²	146	77.4 Å²	77.4	55%	0.551	39%	0.391	S	S	*	.	H	α-helix	trans	-58.6	-46.3	177.4	-176.1	177.5	-178.3	144.6	0.5	112.4	R86 D87 K88 M92 F93 M94	R86-R90 PolarHBondContact O-N 3.1Å; D87-R90 WeakPolarHBondContact O-CB 3.07Å; D87-R90 PolarHBondContact O-N 3.37Å; K88-R90 VanDerWaalsContact C-N 3.26Å; K88-R90 PolarHBondContact O-N 3.15Å; R90-M92 VanDerWaalsContact C-N 3.3Å; R90-M92 PolarHBondContact O-N 3.27Å; R90-F93 PolarHBondContact O-N 3.06Å; R90-M94 HydrophobicContact CG-CG 4.32Å; R90-M94 VanDerWaalsContact O-CG 3.25Å; R90-M94 WeakPolarHBondContact O-CG 3.47Å; R90-M94 PolarHBondContact O-N 3.27Å
91	E	94.1	Very high	92.7	Very high	82 Å²	82	78.9 Å²	78.9	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-55.1	-45.7	176.3	-171.5	-158.7	131.2	0	0	111.4	D87 K88 V89 F93 M94 K95	D87-E91 PolarHBondContact O-N 3.35Å; K88-E91 HydrophobicContact CD-CB 4.4Å; K88-E91 WeakPolarHBondContact CD-OE2 3.3Å; K88-E91 WeakPolarHBondContact CE-OE2 3.43Å; K88-E91 VanDerWaalsContact NZ-CD 3.26Å; K88-E91 IonicContact NZ-OE1 3.88Å; K88-E91 PolarHBondContact NZ-OE1 3.09Å; K88-E91 IonicContact NZ-OE2 2.58Å; K88-E91 PolarHBondContact NZ-OE2 3.46Å; K88-E91 WeakPolarHBondContact O-CB 3.41Å; K88-E91 PolarHBondContact O-N 2.99Å; V89-E91 PolarHBondContact O-N 3.32Å; E91-F93 PolarHBondContact O-N 3.03Å; E91-M94 PolarHBondContact O-N 3.47Å; E91-M94 VanDerWaalsContact O-N 3.15Å; E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.37Å; E91-K95 WeakPolarHBondContact OE1-CE 3.28Å; E91-K95 IonicContact OE1-NZ 3.84Å; E91-K95 PolarHBondContact OE1-NZ 3.21Å
92	M	92.3	Very high	92.6	Very high	68 Å²	68	76.5 Å²	76.5	34%	0.335	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-36.9	-179.9	-65.7	-61.6	-75.2	0	0	112.7	K88 V89 R90 K95 N96 F132	K88-M92 WeakPolarHBondContact O-CG 3.45Å; K88-M92 PolarHBondContact O-N 3.37Å; V89-M92 PolarHBondContact O-N 2.94Å; R90-M92 VanDerWaalsContact C-N 3.3Å; R90-M92 PolarHBondContact O-N 3.27Å; M92-K95 HydrophobicContact SD-CD 3.99Å; M92-K95 PolarHBondContact SD-NZ 3.44Å; M92-N96 PolarHBondContact O-ND2 3.09Å; M92-F132 HydrophobicContact CE-CD1 4.06Å; M92-F132 HydrophobicContact CE-CE1 4.17Å
93	F	93.9	Very high	92.4	Very high	57 Å²	57	78.6 Å²	78.6	25%	0.25	39%	0.388	C	S	.	.	H	α-helix	trans	-68.3	-38	172.3	-83.8	-84.2	0	0	0	112.2	V58 L61 Y62 V89 R90 E91 K95 N96	V58-F93 HydrophobicContact CG1-CD1 4.15Å; V58-F93 HydrophobicContact CG1-CE1 4.06Å; L61-F93 HydrophobicContact CD2-CE1 4.28Å; L61-F93 HydrophobicContact CD2-CZ 4.07Å; L61-F93 HydrophobicContact CG-CZ 4.05Å; Y62-F93 AromaticContact CD2-CD2 3.71Å; Y62-F93 HydrophobicContact CD2-CD2 3.71Å; Y62-F93 AromaticContact CD2-CE2 3.85Å; Y62-F93 HydrophobicContact CD2-CE2 3.85Å; Y62-F93 HydrophobicContact CD2-CG 4.18Å; Y62-F93 HydrophobicContact CD2-CZ 4.4Å; Y62-F93 HydrophobicContact CE2-CD2 4.31Å; V89-F93 HydrophobicContact CG1-CD2 3.83Å; V89-F93 HydrophobicContact CG1-CE2 3.74Å; V89-F93 VanDerWaalsContact O-CD2 3.28Å; V89-F93 WeakPolarHBondContact O-CD2 3.48Å; V89-F93 PolarHBondContact O-N 3.41Å; V89-F93 VanDerWaalsContact O-N 3.09Å; R90-F93 PolarHBondContact O-N 3.06Å; E91-F93 PolarHBondContact O-N 3.03Å; F93-K95 PolarHBondContact O-N 2.95Å; F93-N96 PolarHBondContact O-N 3.5Å
94	M	93.8	Very high	92.3	Very high	122 Å²	122	74.5 Å²	74.5	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-69.5	-30.9	179.8	-65.5	-64.3	-96.9	0	0	112.7	R90 E91 N96 A97	R90-M94 HydrophobicContact CG-CG 4.32Å; R90-M94 VanDerWaalsContact O-CG 3.25Å; R90-M94 WeakPolarHBondContact O-CG 3.47Å; R90-M94 PolarHBondContact O-N 3.27Å; E91-M94 PolarHBondContact O-N 3.47Å; E91-M94 VanDerWaalsContact O-N 3.15Å; M94-N96 PolarHBondContact O-N 3.48Å; M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.43Å; M94-A97 VanDerWaalsContact O-N 3.1Å
95	K	92.8	Very high	92.4	Very high	99 Å²	99	71 Å²	71	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-54.4	-34.8	173.5	-75.5	175	-174.9	169.1	0	112.6	E91 M92 F93 H98	E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.37Å; E91-K95 WeakPolarHBondContact OE1-CE 3.28Å; E91-K95 IonicContact OE1-NZ 3.84Å; E91-K95 PolarHBondContact OE1-NZ 3.21Å; M92-K95 HydrophobicContact SD-CD 3.99Å; M92-K95 PolarHBondContact SD-NZ 3.44Å; F93-K95 PolarHBondContact O-N 2.95Å; K95-H98 PolarHBondContact O-CE1 3.34Å; K95-H98 PolarHBondContact O-ND1 3.4Å
96	N	92.1	Very high	92.4	Very high	76 Å²	76	70.7 Å²	70.7	41%	0.406	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	11.6	-177.3	-61.7	-44.3	0	0	0	113.8	M92 F93 M94 H98 V99 L108	M92-N96 PolarHBondContact O-ND2 3.09Å; F93-N96 PolarHBondContact O-N 3.5Å; M94-N96 PolarHBondContact O-N 3.48Å; N96-H98 PolarHBondContact O-N 2.99Å; N96-V99 WeakPolarHBondContact O-CG2 3.25Å; N96-V99 PolarHBondContact O-N 2.9Å; N96-L108 HydrophobicContact CB-CD1 4.12Å
97	A	91.4	Very high	92.3	Very high	77 Å²	77	70.9 Å²	70.9	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.2	-176.4	0	0	0	0	0	114.3	M94 V99	M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.43Å; M94-A97 VanDerWaalsContact O-N 3.1Å; A97-V99 VanDerWaalsContact C-N 3.28Å; A97-V99 PolarHBondContact O-N 2.91Å
98	H	92.4	Very high	92.2	Very high	144 Å²	144	69.6 Å²	69.6	67%	0.667	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.7	-178.1	61.7	-86.2	0	0	0	113.9	K95 N96 T100	K95-H98 PolarHBondContact O-CE1 3.34Å; K95-H98 PolarHBondContact O-ND1 3.4Å; N96-H98 PolarHBondContact O-N 2.99Å; H98-T100 PolarHBondContact O-N 3.19Å
99	V	91.8	Very high	92.3	Very high	29 Å²	29	68.6 Å²	68.6	18%	0.176	35%	0.351	C	S	.	.			trans	-78.5	121.2	-175.3	-178.6	0	0	0	0	110.8	N96 A97 V104 V105 L108	N96-V99 WeakPolarHBondContact O-CG2 3.25Å; N96-V99 PolarHBondContact O-N 2.9Å; A97-V99 VanDerWaalsContact C-N 3.28Å; A97-V99 PolarHBondContact O-N 2.91Å; V99-V104 HydrophobicContact CG1-CB 3.67Å; V99-V104 HydrophobicContact CG1-CG1 3.62Å; V99-V104 HydrophobicContact CG2-CG1 4.45Å; V99-V105 HydrophobicContact CB-CG2 4.35Å; V99-V105 HydrophobicContact CG1-CG2 3.77Å; V99-L108 HydrophobicContact CG2-CD1 4.12Å
100	T	89.6	Confident	92.4	Very high	118 Å²	118	70 Å²	70	72%	0.724	36%	0.357	S	S	*	.			trans	-102.7	-23.2	-179.2	55.2	0	0	0	0	113.9	M51 H98	M51-T100 WeakPolarHBondContact CE-O 3.45Å; M51-T100 VanDerWaalsContact SD-O 3.36Å; H98-T100 PolarHBondContact O-N 3.19Å
101	D	90.2	Very high	92.4	Very high	46 Å²	46	68.7 Å²	68.7	25%	0.246	36%	0.355	C	S	.	.			trans	-80.9	120.8	-178.5	-174.9	-15	0	0	0	111.6	R103 V104 V105	D101-R103 PolarHBondContact O-N 3.15Å; D101-R103 WeakPolarHBondContact OD1-CB 2.83Å; D101-R103 IonicContact OD1-CZ 3.93Å; D101-R103 PolarHBondContact OD1-N 2.92Å; D101-R103 IonicContact OD1-NE 3.1Å; D101-R103 PolarHBondContact OD1-NE 3.34Å; D101-R103 VanDerWaalsContact OD1-NE 3.1Å; D101-R103 IonicContact OD1-NH2 3.87Å; D101-R103 IonicContact OD2-CZ 3.29Å; D101-R103 VanDerWaalsContact OD2-CZ 3.29Å; D101-R103 IonicContact OD2-NE 3.13Å; D101-R103 PolarHBondContact OD2-NE 3.02Å; D101-R103 VanDerWaalsContact OD2-NE 3.13Å; D101-R103 IonicContact OD2-NH2 2.69Å; D101-R103 PolarHBondContact OD2-NH2 3.27Å; D101-V104 HydrophobicContact CB-CB 4.41Å; D101-V104 HydrophobicContact CB-CG2 4Å; D101-V104 PolarHBondContact O-N 3.19Å; D101-V105 WeakPolarHBondContact O-CG2 3.49Å; D101-V105 PolarHBondContact O-N 2.74Å
102	P	90	Very high	92.5	Very high	30 Å²	30	65.5 Å²	65.5	20%	0.195	35%	0.345	C	S	.	.	H	α-helix	trans	-54.6	-34.7	178.7	-17.9	22.4	0	0	0	114.1	S48 M51 V104 V105 D106	S48-P102 WeakPolarHBondContact OG-CB 3.23Å; M51-P102 HydrophobicContact CG-CG 3.97Å; M51-P102 HydrophobicContact SD-CB 3.91Å; M51-P102 HydrophobicContact SD-CG 3.54Å; M51-P102 VanDerWaalsContact SD-CG 3.54Å; P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.94Å; P102-V105 PolarHBondContact O-N 2.97Å; P102-D106 PolarHBondContact O-N 3.3Å
103	R	89.6	Confident	92.6	Very high	94 Å²	94	67.1 Å²	67.1	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-39	-177.1	-61.1	171.4	-65.8	174.9	-0.2	111.5	V43 D101 L107	V43-R103 VanDerWaalsContact CG1-NH1 3.34Å; V43-R103 VanDerWaalsContact CG2-NH1 3.3Å; D101-R103 PolarHBondContact O-N 3.15Å; D101-R103 WeakPolarHBondContact OD1-CB 2.83Å; D101-R103 IonicContact OD1-CZ 3.93Å; D101-R103 PolarHBondContact OD1-N 2.92Å; D101-R103 IonicContact OD1-NE 3.1Å; D101-R103 PolarHBondContact OD1-NE 3.34Å; D101-R103 VanDerWaalsContact OD1-NE 3.1Å; D101-R103 IonicContact OD1-NH2 3.87Å; D101-R103 IonicContact OD2-CZ 3.29Å; D101-R103 VanDerWaalsContact OD2-CZ 3.29Å; D101-R103 IonicContact OD2-NE 3.13Å; D101-R103 PolarHBondContact OD2-NE 3.02Å; D101-R103 VanDerWaalsContact OD2-NE 3.13Å; D101-R103 IonicContact OD2-NH2 2.69Å; D101-R103 PolarHBondContact OD2-NH2 3.27Å; R103-L107 PolarHBondContact O-N 3.03Å; R103-L107 VanDerWaalsContact O-N 3.09Å
104	V	91.6	Very high	92.7	Very high	64 Å²	64	69.4 Å²	69.4	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-40.4	176.7	-178	0	0	0	0	109.6	V99 D101 P102 L107 L108	V99-V104 HydrophobicContact CG1-CB 3.67Å; V99-V104 HydrophobicContact CG1-CG1 3.62Å; V99-V104 HydrophobicContact CG2-CG1 4.45Å; D101-V104 HydrophobicContact CB-CB 4.41Å; D101-V104 HydrophobicContact CB-CG2 4Å; D101-V104 PolarHBondContact O-N 3.19Å; P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.94Å; V104-L107 PolarHBondContact O-N 3.3Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.38Å
105	V	92.9	Very high	92.8	Very high	18 Å²	18	67.1 Å²	67.1	11%	0.109	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-46	175.3	179.9	0	0	0	0	111.3	M51 A54 V58 V99 D101 P102 L107 L108 V109	M51-V105 HydrophobicContact CE-CG2 4.48Å; A54-V105 HydrophobicContact CB-CB 4.26Å; A54-V105 HydrophobicContact CB-CG1 3.88Å; V58-V105 HydrophobicContact CG2-CG1 3.55Å; V99-V105 HydrophobicContact CB-CG2 4.35Å; V99-V105 HydrophobicContact CG1-CG2 3.77Å; D101-V105 WeakPolarHBondContact O-CG2 3.49Å; D101-V105 PolarHBondContact O-N 2.74Å; P102-V105 PolarHBondContact O-N 2.97Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 3.48Å; V105-L108 PolarHBondContact O-N 3.29Å; V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 WeakPolarHBondContact O-CG2 3.35Å; V105-V109 PolarHBondContact O-N 3Å
106	D	92.3	Very high	92.9	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-42.8	176.9	-78.3	-30.4	0	0	0	111.3	F47 S48 R57 P102 L108 V109 I110	F47-D106 HydrophobicContact CD2-CB 4.44Å; F47-D106 PolarHBondContact N-OD2 2.89Å; S48-D106 WeakPolarHBondContact CB-OD2 3.41Å; S48-D106 PolarHBondContact N-OD2 3.36Å; S48-D106 PolarHBondContact OG-OD1 2.7Å; S48-D106 PolarHBondContact OG-OD2 2.92Å; R57-D106 IonicContact NH1-OD1 2.65Å; R57-D106 PolarHBondContact NH1-OD1 3.09Å; R57-D106 VanDerWaalsContact NH1-OD1 3.15Å; P102-D106 PolarHBondContact O-N 3.3Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 2.9Å; D106-V109 PolarHBondContact O-N 3.34Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.44Å; D106-I110 PolarHBondContact O-N 3.31Å
107	L	91.9	Very high	93	Very high	80 Å²	80	64.2 Å²	64.2	42%	0.419	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-41	177	-170.7	64.8	0	0	0	112.1	R103 V104 V105 V109 I110 K111	R103-L107 PolarHBondContact O-N 3.03Å; R103-L107 VanDerWaalsContact O-N 3.09Å; V104-L107 PolarHBondContact O-N 3.3Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 3.48Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 3.36Å; L107-I110 HydrophobicContact CD1-CD1 4.5Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-K111 WeakPolarHBondContact O-CG 3.4Å; L107-K111 PolarHBondContact O-N 3.41Å
108	L	94	Very high	93.1	Very high	58 Å²	58	63.2 Å²	63.2	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-37.4	174.9	-70.6	170.3	0	0	0	111.9	N96 V99 V104 V105 D106 K111 G112	N96-L108 HydrophobicContact CB-CD1 4.12Å; V99-L108 HydrophobicContact CG2-CD1 4.12Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.38Å; V105-L108 PolarHBondContact O-N 3.29Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 2.9Å; L108-K111 PolarHBondContact O-N 3.49Å; L108-G112 PolarHBondContact O-N 3.26Å
109	V	94.4	Very high	93.2	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-42.8	175.3	170.5	0	0	0	0	111.2	R57 V58 L61 V105 D106 L107 G112 K113	R57-V109 HydrophobicContact CB-CG1 4.26Å; V58-V109 HydrophobicContact CB-CG2 4.45Å; V58-V109 HydrophobicContact CG2-CG2 3.5Å; V58-V109 VanDerWaalsContact CG2-CG2 3.5Å; L61-V109 HydrophobicContact CD2-CB 4.49Å; L61-V109 HydrophobicContact CD2-CG1 4.28Å; V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 WeakPolarHBondContact O-CG2 3.35Å; V105-V109 PolarHBondContact O-N 3Å; D106-V109 PolarHBondContact O-N 3.34Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 3.36Å; V109-G112 PolarHBondContact O-N 3.09Å; V109-K113 HydrophobicContact CG1-CD 4.47Å; V109-K113 WeakPolarHBondContact O-CG 3.38Å; V109-K113 PolarHBondContact O-N 2.93Å
110	I	94.9	Very high	93.3	Very high	52 Å²	52	59.2 Å²	59.2	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-49.7	176.4	-63.7	159.2	0	0	0	109.8	I46 F47 D106 L107 G112 K113 M114	I46-I110 HydrophobicContact CG2-CD1 4.48Å; F47-I110 HydrophobicContact CD2-CD1 3.99Å; F47-I110 HydrophobicContact CD2-CG1 4.37Å; F47-I110 HydrophobicContact CE2-CD1 3.48Å; F47-I110 VanDerWaalsContact CE2-CD1 3.48Å; F47-I110 HydrophobicContact CE2-CG1 3.88Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.44Å; D106-I110 PolarHBondContact O-N 3.31Å; L107-I110 HydrophobicContact CD1-CD1 4.5Å; L107-I110 PolarHBondContact O-N 3.08Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 2.89Å; I110-K113 WeakPolarHBondContact O-CB 3.42Å; I110-K113 PolarHBondContact O-N 3.14Å; I110-K113 VanDerWaalsContact O-N 3.09Å; I110-M114 HydrophobicContact CG2-CG 4.47Å; I110-M114 HydrophobicContact CG2-SD 4.05Å; I110-M114 WeakPolarHBondContact O-CG 3.48Å; I110-M114 PolarHBondContact O-N 3.49Å
111	K	94.8	Very high	93.5	Very high	118 Å²	118	58.2 Å²	58.2	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-56.4	-46.7	176	-71.5	178.2	178.2	-175	0	111.3	L107 L108 K113 M114 E115	L107-K111 WeakPolarHBondContact O-CG 3.4Å; L107-K111 PolarHBondContact O-N 3.41Å; L108-K111 PolarHBondContact O-N 3.49Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.01Å; K111-M114 PolarHBondContact O-N 3.03Å; K111-E115 VanDerWaalsContact O-CG 3.27Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 3.23Å
112	G	95	Very high	93.6	Very high	16 Å²	16	59.1 Å²	59.1	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-28.3	178.1	0	0	0	0	0	114.4	W65 L108 V109 I110 L116	W65-G112 PolarHBondContact NE1-O 3.03Å; L108-G112 PolarHBondContact O-N 3.26Å; V109-G112 PolarHBondContact O-N 3.09Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 2.89Å; G112-L116 WeakPolarHBondContact O-CB 3.36Å; G112-L116 PolarHBondContact O-N 3.22Å
113	K	95.7	Very high	93.8	Very high	102 Å²	102	66 Å²	66	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-73.5	-42.1	172	-76.3	-175.9	175.3	-171.5	0	111.9	L61 V109 I110 K111 L116 E117	L61-K113 HydrophobicContact CD1-CG 3.82Å; V109-K113 HydrophobicContact CG1-CD 4.47Å; V109-K113 WeakPolarHBondContact O-CG 3.38Å; V109-K113 PolarHBondContact O-N 2.93Å; I110-K113 WeakPolarHBondContact O-CB 3.42Å; I110-K113 PolarHBondContact O-N 3.14Å; I110-K113 VanDerWaalsContact O-N 3.09Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.01Å; K113-L116 WeakPolarHBondContact O-CB 3.5Å; K113-L116 PolarHBondContact O-N 3.25Å; K113-E117 PolarHBondContact O-N 3.12Å
114	M	95.9	Very high	93.9	Very high	105 Å²	105	62.8 Å²	62.8	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-48.4	175	-66.8	171.8	65.5	0	0	110.8	I110 K111 L116 E117 E118	I110-M114 HydrophobicContact CG2-CG 4.47Å; I110-M114 HydrophobicContact CG2-SD 4.05Å; I110-M114 WeakPolarHBondContact O-CG 3.48Å; I110-M114 PolarHBondContact O-N 3.49Å; K111-M114 PolarHBondContact O-N 3.03Å; M114-L116 PolarHBondContact O-N 3.17Å; M114-E117 PolarHBondContact O-N 3.09Å; M114-E117 VanDerWaalsContact O-N 3.16Å; M114-E118 WeakPolarHBondContact O-CG 3.39Å; M114-E118 PolarHBondContact O-N 3.25Å
115	E	94.8	Very high	93.9	Very high	73 Å²	73	65.9 Å²	65.9	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-37.6	176.9	-70.7	-75.1	144.9	0	0	112.6	W65 K111 T119 K124	W65-E115 HydrophobicContact CZ2-CB 3.98Å; K111-E115 VanDerWaalsContact O-CG 3.27Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 3.23Å; E115-T119 PolarHBondContact O-N 3.48Å; E115-T119 PolarHBondContact O-OG1 3.27Å; E115-K124 VanDerWaalsContact CD-NZ 3.29Å; E115-K124 PolarHBondContact O-NZ 3.08Å; E115-K124 IonicContact OE1-NZ 3.46Å; E115-K124 IonicContact OE2-NZ 2.98Å; E115-K124 PolarHBondContact OE2-NZ 3.42Å
116	L	94.7	Very high	93.8	Very high	17 Å²	17	69.7 Å²	69.7	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-68.6	-45	177.2	-178.2	65.2	0	0	0	111.3	L61 A64 W65 E68 G112 K113 M114 E118 T119 I120	L61-L116 HydrophobicContact CD1-CD2 4.42Å; A64-L116 HydrophobicContact CB-CD2 3.72Å; W65-L116 HydrophobicContact CD2-CD1 3.84Å; W65-L116 HydrophobicContact CE3-CD1 4.06Å; W65-L116 HydrophobicContact CG-CD1 4.27Å; W65-L116 HydrophobicContact CH2-CD1 4.37Å; W65-L116 HydrophobicContact CZ2-CB 3.79Å; W65-L116 HydrophobicContact CZ2-CD1 4.17Å; W65-L116 HydrophobicContact CZ3-CD1 4.31Å; E68-L116 HydrophobicContact CB-CD1 3.93Å; E68-L116 HydrophobicContact CG-CD1 3.8Å; G112-L116 WeakPolarHBondContact O-CB 3.36Å; G112-L116 PolarHBondContact O-N 3.22Å; K113-L116 WeakPolarHBondContact O-CB 3.5Å; K113-L116 PolarHBondContact O-N 3.25Å; M114-L116 PolarHBondContact O-N 3.17Å; L116-E118 PolarHBondContact O-N 3.45Å; L116-T119 WeakPolarHBondContact O-CB 3.28Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.12Å; L116-I120 HydrophobicContact CD1-CD1 4.1Å; L116-I120 HydrophobicContact CD1-CG1 4.36Å; L116-I120 HydrophobicContact CD2-CD1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.78Å; L116-I120 HydrophobicContact CG-CG1 4.43Å; L116-I120 WeakPolarHBondContact O-CG1 3.38Å; L116-I120 PolarHBondContact O-N 2.98Å
117	E	95.6	Very high	93.7	Very high	98 Å²	98	73 Å²	73	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-42.9	177.1	-76.2	-168.9	-156.5	0	0	112.6	K113 M114 T119 I120 K121	K113-E117 PolarHBondContact O-N 3.12Å; M114-E117 PolarHBondContact O-N 3.09Å; M114-E117 VanDerWaalsContact O-N 3.16Å; E117-T119 PolarHBondContact O-N 3.33Å; E117-I120 PolarHBondContact O-N 2.69Å; E117-K121 VanDerWaalsContact O-CB 3.31Å; E117-K121 WeakPolarHBondContact O-CB 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.23Å; E117-K121 PolarHBondContact O-N 2.58Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.95Å
118	E	94	Very high	93.6	Very high	55 Å²	55	72.5 Å²	72.5	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-32.8	175.2	-70.8	166.9	-179.6	0	0	112.1	M114 L116 V122 W123 K124	M114-E118 WeakPolarHBondContact O-CG 3.39Å; M114-E118 PolarHBondContact O-N 3.25Å; L116-E118 PolarHBondContact O-N 3.45Å; E118-V122 PolarHBondContact O-N 3.22Å; E118-W123 HydrophobicContact CB-CB 4.47Å; E118-W123 HydrophobicContact CG-CE3 4.06Å; E118-W123 PolarHBondContact O-N 3.27Å; E118-K124 HydrophobicContact CB-CD 4.21Å; E118-K124 HydrophobicContact CB-CG 4.29Å; E118-K124 PolarHBondContact O-N 3.4Å; E118-K124 WeakPolarHBondContact OE2-CE 3.47Å; E118-K124 IonicContact OE2-NZ 3.17Å; E118-K124 PolarHBondContact OE2-NZ 3.01Å
119	T	92.8	Very high	93.4	Very high	8 Å²	8	70.7 Å²	70.7	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-77.4	-46.5	179.9	-49.6	0	0	0	0	110.9	T72 F76 E115 L116 E117 K121 V122	T72-T119 HydrophobicContact CG2-CG2 3.33Å; F76-T119 HydrophobicContact CE2-CG2 4.01Å; E115-T119 PolarHBondContact O-N 3.48Å; E115-T119 PolarHBondContact O-OG1 3.27Å; L116-T119 WeakPolarHBondContact O-CB 3.28Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.12Å; E117-T119 PolarHBondContact O-N 3.33Å; T119-K121 PolarHBondContact O-N 3.07Å; T119-V122 PolarHBondContact O-N 3.33Å
120	I	94.2	Very high	93.2	Very high	82 Å²	82	72.2 Å²	72.2	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-43.2	178.1	-67.2	166.9	0	0	0	111.2	E68 L116 E117 V122	E68-I120 HydrophobicContact CG-CG1 3.87Å; L116-I120 HydrophobicContact CD1-CD1 4.1Å; L116-I120 HydrophobicContact CD1-CG1 4.36Å; L116-I120 HydrophobicContact CD2-CD1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.78Å; L116-I120 HydrophobicContact CG-CG1 4.43Å; L116-I120 WeakPolarHBondContact O-CG1 3.38Å; L116-I120 PolarHBondContact O-N 2.98Å; E117-I120 PolarHBondContact O-N 2.69Å; I120-V122 PolarHBondContact O-N 3.3Å
121	K	94	Very high	92.9	Very high	97 Å²	97	77.9 Å²	77.9	42%	0.422	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1	-179.4	-64.3	173.7	-178.3	159.6	0	113	E117 T119 W123	E117-K121 VanDerWaalsContact O-CB 3.31Å; E117-K121 WeakPolarHBondContact O-CB 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.23Å; E117-K121 PolarHBondContact O-N 2.58Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.95Å; T119-K121 PolarHBondContact O-N 3.07Å; K121-W123 HydrophobicContact CB-CD2 4.03Å; K121-W123 HydrophobicContact CB-CG 4.07Å; K121-W123 HydrophobicContact CB-CZ2 4.36Å; K121-W123 HydrophobicContact CD-CD2 4.27Å; K121-W123 HydrophobicContact CD-CE3 4.49Å; K121-W123 HydrophobicContact CD-CH2 3.73Å; K121-W123 HydrophobicContact CD-CZ2 3.43Å; K121-W123 VanDerWaalsContact CD-CZ2 3.43Å; K121-W123 HydrophobicContact CD-CZ3 4.25Å; K121-W123 VanDerWaalsContact O-CD1 3.28Å; K121-W123 PolarHBondContact O-N 3.17Å
122	V	92	Very high	92.6	Very high	65 Å²	65	76 Å²	76	39%	0.394	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	37.9	-179.2	-156.2	0	0	0	0	112.1	Q75 F76 E118 T119 I120 K124	Q75-V122 VanDerWaalsContact CD-CG2 3.42Å; Q75-V122 HydrophobicContact CG-CG2 4.32Å; F76-V122 HydrophobicContact CE1-CG1 3.67Å; F76-V122 HydrophobicContact CZ-CG1 3.92Å; E118-V122 PolarHBondContact O-N 3.22Å; T119-V122 PolarHBondContact O-N 3.33Å; I120-V122 PolarHBondContact O-N 3.3Å; V122-K124 VanDerWaalsContact C-N 3.25Å
123	W	94.1	Very high	92.1	Very high	175 Å²	175	77 Å²	77	66%	0.663	35%	0.351	S	S	*	.			trans	-79	-18.4	172.3	-64.5	-9.4	0	0	0	111.4	E118 K121	E118-W123 HydrophobicContact CB-CB 4.47Å; E118-W123 HydrophobicContact CG-CE3 4.06Å; E118-W123 PolarHBondContact O-N 3.27Å; K121-W123 HydrophobicContact CB-CD2 4.03Å; K121-W123 HydrophobicContact CB-CG 4.07Å; K121-W123 HydrophobicContact CB-CZ2 4.36Å; K121-W123 HydrophobicContact CD-CD2 4.27Å; K121-W123 HydrophobicContact CD-CE3 4.49Å; K121-W123 HydrophobicContact CD-CH2 3.73Å; K121-W123 HydrophobicContact CD-CZ2 3.43Å; K121-W123 VanDerWaalsContact CD-CZ2 3.43Å; K121-W123 HydrophobicContact CD-CZ3 4.25Å; K121-W123 VanDerWaalsContact O-CD1 3.28Å; K121-W123 PolarHBondContact O-N 3.17Å
124	K	92.1	Very high	91.4	Very high	25 Å²	25	76.6 Å²	76.6	11%	0.109	35%	0.35	C	S	.	.	S	Bend	trans	-87.6	151.9	172.4	-75	174.7	176.5	151.6	0	111.7	F76 E115 E118 V122 H128	F76-K124 WeakPolarHBondContact CE1-O 3.41Å; E115-K124 VanDerWaalsContact CD-NZ 3.29Å; E115-K124 PolarHBondContact O-NZ 3.08Å; E115-K124 IonicContact OE1-NZ 3.46Å; E115-K124 IonicContact OE2-NZ 2.98Å; E115-K124 PolarHBondContact OE2-NZ 3.42Å; E118-K124 HydrophobicContact CB-CD 4.21Å; E118-K124 HydrophobicContact CB-CG 4.29Å; E118-K124 PolarHBondContact O-N 3.4Å; E118-K124 WeakPolarHBondContact OE2-CE 3.47Å; E118-K124 IonicContact OE2-NZ 3.17Å; E118-K124 PolarHBondContact OE2-NZ 3.01Å; V122-K124 VanDerWaalsContact C-N 3.25Å; K124-H128 HydrophobicContact CB-CB 4.2Å; K124-H128 HydrophobicContact CD-CB 4.45Å; K124-H128 HydrophobicContact CG-CB 4.2Å
125	Q	92.4	Very high	90.4	Very high	129 Å²	129	77.5 Å²	77.5	60%	0.603	35%	0.353	S	S	*	.			trans	-98.1	161.9	166.5	-59.7	174.3	-6	0	0	110.6	T127 H128	Q125-T127 PolarHBondContact O-N 3.48Å; Q125-T127 VanDerWaalsContact O-N 3.08Å; Q125-H128 PolarHBondContact N-ND1 2.91Å; Q125-H128 WeakPolarHBondContact O-CB 3.37Å; Q125-H128 PolarHBondContact O-N 2.99Å; Q125-H128 PolarHBondContact O-ND1 3.12Å
126	R	90.6	Very high	89.4	Confident	99 Å²	99	80.8 Å²	80.8	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-46.2	-40.8	175.6	173.2	170.1	176.3	173.2	-2.1	113.3	Q77 L78 D79 H128 V129 M130	Q77-R126 PolarHBondContact O-NH1 2.83Å; Q77-R126 VanDerWaalsContact O-NH1 3.09Å; L78-R126 HydrophobicContact CD2-CG 3.77Å; D79-R126 IonicContact OD1-NH2 3.01Å; D79-R126 PolarHBondContact OD1-NH2 3.46Å; D79-R126 IonicContact OD2-CZ 3.89Å; D79-R126 IonicContact OD2-NH2 2.77Å; D79-R126 PolarHBondContact OD2-NH2 2.94Å; R126-H128 VanDerWaalsContact C-N 3.29Å; R126-H128 PolarHBondContact O-N 2.68Å; R126-V129 PolarHBondContact O-N 3.48Å; R126-M130 HydrophobicContact CG-CG 4.23Å; R126-M130 WeakPolarHBondContact O-CG 3.35Å; R126-M130 PolarHBondContact O-N 3.24Å
127	T	89.6	Confident	88.5	Confident	72 Å²	72	85.9 Å²	85.9	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-57.5	-39.4	178.2	54	0	0	0	0	112.9	Q125 M130 R131	Q125-T127 PolarHBondContact O-N 3.48Å; Q125-T127 VanDerWaalsContact O-N 3.08Å; T127-M130 PolarHBondContact O-N 3.16Å; T127-R131 WeakPolarHBondContact O-CG 3.46Å; T127-R131 PolarHBondContact O-N 3.27Å; T127-R131 VanDerWaalsContact O-N 3.07Å
128	H	90.8	Very high	87.6	Confident	69 Å²	69	85.2 Å²	85.2	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-35.3	-179.2	-59.4	90.5	0	0	0	111.9	K124 Q125 R126	K124-H128 HydrophobicContact CB-CB 4.2Å; K124-H128 HydrophobicContact CD-CB 4.45Å; K124-H128 HydrophobicContact CG-CB 4.2Å; Q125-H128 PolarHBondContact N-ND1 2.91Å; Q125-H128 WeakPolarHBondContact O-CB 3.37Å; Q125-H128 PolarHBondContact O-N 2.99Å; Q125-H128 PolarHBondContact O-ND1 3.12Å; R126-H128 VanDerWaalsContact C-N 3.29Å; R126-H128 PolarHBondContact O-N 2.68Å
129	V	89.3	Confident	86.9	Confident	19 Å²	19	88.3 Å²	88.3	12%	0.115	44%	0.438	C	S	.	.	H	α-helix	trans	-72.9	-41	175.9	-174.9	0	0	0	0	110.6	F76 L78 R126 R131 F132	F76-V129 HydrophobicContact CD2-CG2 4.15Å; F76-V129 HydrophobicContact CE2-CG2 4.22Å; L78-V129 HydrophobicContact CD1-CB 4.49Å; L78-V129 HydrophobicContact CD1-CG1 3.72Å; R126-V129 PolarHBondContact O-N 3.48Å; V129-R131 VanDerWaalsContact C-N 3.27Å; V129-R131 PolarHBondContact O-N 3.23Å; V129-F132 WeakPolarHBondContact O-CD2 3.49Å; V129-F132 PolarHBondContact O-N 3Å
130	M	89.1	Confident	86.3	Confident	41 Å²	41	97.6 Å²	97.6	20%	0.202	47%	0.472	C	S	.	.	H	α-helix	trans	-67	-25.4	178.9	-68.6	-55.4	-63.5	0	0	113.5	L78 I80 R126 T127 F132 F133 E135	L78-M130 HydrophobicContact CD2-CG 4.31Å; L78-M130 HydrophobicContact CD2-SD 4.03Å; I80-M130 HydrophobicContact CG2-CE 4.4Å; I80-M130 HydrophobicContact CG2-SD 4.49Å; R126-M130 HydrophobicContact CG-CG 4.23Å; R126-M130 WeakPolarHBondContact O-CG 3.35Å; R126-M130 PolarHBondContact O-N 3.24Å; T127-M130 PolarHBondContact O-N 3.16Å; M130-F132 PolarHBondContact O-N 2.94Å; M130-F132 VanDerWaalsContact O-N 3.12Å; M130-F133 PolarHBondContact O-N 3.42Å; M130-F133 HydrophobicContact SD-CD2 4.46Å; M130-E135 WeakPolarHBondContact CE-OE1 3.32Å; M130-E135 WeakPolarHBondContact CE-OE2 3.42Å
131	R	90.1	Very high	85.8	Confident	170 Å²	170	95.8 Å²	95.8	64%	0.642	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-55.7	-28.5	174.2	-78.1	171.8	-169	-159.1	2.1	113.2	T127 V129 F133 H134	T127-R131 WeakPolarHBondContact O-CG 3.46Å; T127-R131 PolarHBondContact O-N 3.27Å; T127-R131 VanDerWaalsContact O-N 3.07Å; V129-R131 VanDerWaalsContact C-N 3.27Å; V129-R131 PolarHBondContact O-N 3.23Å; R131-F133 VanDerWaalsContact C-N 3.27Å; R131-F133 PolarHBondContact O-N 3.09Å; R131-H134 PolarHBondContact O-CE1 3.33Å; R131-H134 PolarHBondContact O-ND1 3Å
132	F	87.1	Confident	85.3	Confident	78 Å²	78	100.4 Å²	100.4	34%	0.342	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-67.9	-28.4	177.6	-66.8	-69.9	0	0	0	112.8	K88 M92 V129 M130 H134	K88-F132 WeakPolarHBondContact CE-O 3.37Å; K88-F132 PolarHBondContact NZ-O 3.08Å; M92-F132 HydrophobicContact CE-CD1 4.06Å; M92-F132 HydrophobicContact CE-CE1 4.17Å; V129-F132 WeakPolarHBondContact O-CD2 3.49Å; V129-F132 PolarHBondContact O-N 3Å; M130-F132 PolarHBondContact O-N 2.94Å; M130-F132 VanDerWaalsContact O-N 3.12Å; F132-H134 PolarHBondContact O-CE1 2.65Å; F132-H134 PolarHBondContact O-ND1 3.21Å
133	F	85.2	Confident	85.1	Confident	39 Å²	39	102 Å²	102	17%	0.171	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-83.1	-13	-174.3	-66.3	-87.9	0	0	0	113.8	I80 K88 M130 R131 E135	I80-F133 HydrophobicContact CD1-CE1 4.07Å; I80-F133 HydrophobicContact CD1-CE2 3.6Å; I80-F133 HydrophobicContact CD1-CZ 3.32Å; K88-F133 HydrophobicContact CB-CE1 3.75Å; K88-F133 HydrophobicContact CB-CZ 3.99Å; K88-F133 HydrophobicContact CG-CD1 4.36Å; K88-F133 HydrophobicContact CG-CE1 3.93Å; K88-F133 HydrophobicContact CG-CZ 4.11Å; M130-F133 PolarHBondContact O-N 3.42Å; M130-F133 HydrophobicContact SD-CD2 4.46Å; R131-F133 VanDerWaalsContact C-N 3.27Å; R131-F133 PolarHBondContact O-N 3.09Å; F133-E135 HydrophobicContact CB-CG 3.85Å; F133-E135 PolarHBondContact O-N 3.39Å
134	H	81.3	Confident	84.6	Confident	92 Å²	92	101.2 Å²	101.2	43%	0.426	49%	0.494	S	S	.	.			trans	45	32.8	177.2	-55.7	77.1	0	0	0	114.1	R131 F132 T136 E137	R131-H134 PolarHBondContact O-CE1 3.33Å; R131-H134 PolarHBondContact O-ND1 3Å; F132-H134 PolarHBondContact O-CE1 2.65Å; F132-H134 PolarHBondContact O-ND1 3.21Å; H134-T136 VanDerWaalsContact C-N 3.25Å; H134-T136 PolarHBondContact O-N 2.91Å; H134-E137 HydrophobicContact CB-CB 4.43Å; H134-E137 IonicContact CD2-OE1 2.86Å; H134-E137 IonicContact CD2-OE2 3.42Å; H134-E137 PolarHBondContact CD2-OE2 3.38Å; H134-E137 PolarHBondContact O-N 3.08Å
135	E	73.8	Confident	84.4	Confident	124 Å²	124	104.1 Å²	104.1	58%	0.579	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.5	-171.9	-64.5	174	178.2	0	0	113.3	M130 F133	M130-E135 WeakPolarHBondContact CE-OE1 3.32Å; M130-E135 WeakPolarHBondContact CE-OE2 3.42Å; F133-E135 HydrophobicContact CB-CG 3.85Å; F133-E135 PolarHBondContact O-N 3.39Å
136	T	74.4	Confident	84	Confident	143 Å²	143	99.9 Å²	99.9	88%	0.877	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-16.4	-179.2	-41.9	0	0	0	0	112.8	H134 A138	H134-T136 VanDerWaalsContact C-N 3.25Å; H134-T136 PolarHBondContact O-N 2.91Å; T136-A138 PolarHBondContact O-N 3.08Å
137	E	76.1	Confident	83.8	Confident	123 Å²	123	99 Å²	99	58%	0.575	49%	0.494	S	S	*	.	S	Bend	trans	-80.6	123.6	-178.6	-67.6	-175.1	-168.2	0	0	110.2	H134	H134-E137 HydrophobicContact CB-CB 4.43Å; H134-E137 IonicContact CD2-OE1 2.86Å; H134-E137 IonicContact CD2-OE2 3.42Å; H134-E137 PolarHBondContact CD2-OE2 3.38Å; H134-E137 PolarHBondContact O-N 3.08Å
138	A	76.1	Confident	83.5	Confident	84 Å²	84	101.5 Å²	101.5	69%	0.694	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-57.9	130.7	173.3	0	0	0	0	0	109.3	T136 R140	T136-A138 PolarHBondContact O-N 3.08Å; A138-R140 PolarHBondContact O-N 3.23Å; A138-R140 VanDerWaalsContact O-N 3.09Å
139	P	80.1	Confident	83.3	Confident	121 Å²	121	106.5 Å²	106.5	79%	0.786	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-60	121.1	-177.2	24.1	-33.1	0	0	0	109
140	R	80.9	Confident	83.1	Confident	202 Å²	202	110.9 Å²	110.9	76%	0.762	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64	130.5	-179.4	-65.7	-165.5	-175.5	-161.5	2	110	A138 K142	A138-R140 PolarHBondContact O-N 3.23Å; A138-R140 VanDerWaalsContact O-N 3.09Å; R140-K142 PolarHBondContact O-N 3.18Å
141	P	83.3	Confident	82.8	Confident	45 Å²	45	110.5 Å²	110.5	29%	0.292	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-58.5	126.4	176.2	19	-28	0	0	0	110.1	S146 K147 V150	P141-S146 WeakPolarHBondContact CB-OG 2.94Å; P141-K147 HydrophobicContact CB-CG 4.22Å; P141-K147 HydrophobicContact CG-CG 4.16Å; P141-K147 WeakPolarHBondContact O-CE 3.33Å; P141-K147 VanDerWaalsContact O-CG 3.32Å; P141-K147 WeakPolarHBondContact O-CG 3.25Å; P141-V150 HydrophobicContact CG-CG2 4.18Å
142	K	82.7	Confident	82	Confident	194 Å²	194	111.4 Å²	111.4	84%	0.843	56%	0.56	S	S	*	*			trans	-88.9	-30	177.5	-64.6	-178.6	-176.2	176.7	0	111.9	R140	R140-K142 PolarHBondContact O-N 3.18Å
143	D	87.5	Confident	81.4	Confident	98 Å²	98	113.2 Å²	113.2	52%	0.524	57%	0.573	S	S	.	*	S	Bend	trans	-78.1	144.2	-177.5	177.8	38.2	0	0	0	111.4	L145 S146 K147	D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.31Å; D143-S146 WeakPolarHBondContact CB-OG 3.4Å; D143-S146 PolarHBondContact N-OG 3.47Å; D143-S146 PolarHBondContact O-N 3.49Å; D143-S146 PolarHBondContact O-OG 2.99Å; D143-K147 WeakPolarHBondContact O-CG 3.42Å; D143-K147 PolarHBondContact O-N 2.89Å
144	F	85.1	Confident	80.6	Confident	159 Å²	159	120.2 Å²	120.2	70%	0.697	62%	0.623	S	S	*	*	H	α-helix	trans	-57.3	-46.5	-178.4	175	-97.2	0	0	0	111.6	S146 K147 F148	F144-S146 PolarHBondContact O-N 3.43Å; F144-K147 PolarHBondContact O-N 3.19Å; F144-F148 WeakPolarHBondContact O-CB 3.31Å; F144-F148 PolarHBondContact O-N 3.39Å
145	L	86.9	Confident	80.6	Confident	86 Å²	86	121.6 Å²	121.6	45%	0.45	63%	0.632	S	S	.	*	H	α-helix	trans	-64.9	-42.7	-176.9	-175.5	61.1	0	0	0	111.5	D143 K147 F148 Y149	D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.31Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 2.91Å; L145-F148 PolarHBondContact O-N 3.38Å; L145-Y149 HydrophobicContact CD1-CD2 4.24Å; L145-Y149 HydrophobicContact CD1-CE2 3.53Å; L145-Y149 HydrophobicContact CD2-CE2 4.03Å; L145-Y149 HydrophobicContact CG-CD2 4.05Å; L145-Y149 HydrophobicContact CG-CE2 3.47Å; L145-Y149 VanDerWaalsContact CG-CE2 3.47Å; L145-Y149 WeakPolarHBondContact O-CD2 3.17Å; L145-Y149 PolarHBondContact O-N 3.47Å; L145-Y149 VanDerWaalsContact O-N 3.13Å
146	S	84.8	Confident	81	Confident	39 Å²	39	121.5 Å²	121.5	27%	0.273	64%	0.635	S	S	.	*	H	α-helix	trans	-66	-33	175.8	59	0	0	0	0	113.6	P141 D143 F144 V150	P141-S146 WeakPolarHBondContact CB-OG 2.94Å; D143-S146 WeakPolarHBondContact CB-OG 3.4Å; D143-S146 PolarHBondContact N-OG 3.47Å; D143-S146 PolarHBondContact O-N 3.49Å; D143-S146 PolarHBondContact O-OG 2.99Å; F144-S146 PolarHBondContact O-N 3.43Å; S146-V150 WeakPolarHBondContact O-CG2 3.45Å; S146-V150 PolarHBondContact O-N 3.29Å
147	K	85.6	Confident	81.3	Confident	82 Å²	82	120.3 Å²	120.3	36%	0.357	62%	0.622	S	S	.	*	H	α-helix	trans	-68.8	-44.3	172.3	-71.4	174.7	178.1	-172.6	0	111.6	P141 D143 F144 L145 Y149 V150 G151	P141-K147 HydrophobicContact CB-CG 4.22Å; P141-K147 HydrophobicContact CG-CG 4.16Å; P141-K147 WeakPolarHBondContact O-CE 3.33Å; P141-K147 VanDerWaalsContact O-CG 3.32Å; P141-K147 WeakPolarHBondContact O-CG 3.25Å; D143-K147 WeakPolarHBondContact O-CG 3.42Å; D143-K147 PolarHBondContact O-N 2.89Å; F144-K147 PolarHBondContact O-N 3.19Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 2.91Å; K147-Y149 VanDerWaalsContact C-N 3.28Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-V150 PolarHBondContact O-N 2.86Å; K147-V150 VanDerWaalsContact O-N 3.08Å; K147-G151 PolarHBondContact O-N 3.24Å; K147-G151 VanDerWaalsContact O-N 3.13Å
148	F	83.9	Confident	81.6	Confident	124 Å²	124	120.1 Å²	120.1	54%	0.544	62%	0.624	S	S	.	*	H	α-helix	trans	-57.2	-40.1	178.4	179.1	-98.6	0	0	0	112.4	F144 L145	F144-F148 WeakPolarHBondContact O-CB 3.31Å; F144-F148 PolarHBondContact O-N 3.39Å; L145-F148 PolarHBondContact O-N 3.38Å
149	Y	85.9	Confident	82	Confident	173 Å²	173	122.4 Å²	122.4	68%	0.678	62%	0.62	S	S	*	*	H	α-helix	trans	-72.6	-25.2	177.2	-69.1	-49	0	0	0	114.5	L145 K147	L145-Y149 HydrophobicContact CD1-CD2 4.24Å; L145-Y149 HydrophobicContact CD1-CE2 3.53Å; L145-Y149 HydrophobicContact CD2-CE2 4.03Å; L145-Y149 HydrophobicContact CG-CD2 4.05Å; L145-Y149 HydrophobicContact CG-CE2 3.47Å; L145-Y149 VanDerWaalsContact CG-CE2 3.47Å; L145-Y149 WeakPolarHBondContact O-CD2 3.17Å; L145-Y149 PolarHBondContact O-N 3.47Å; L145-Y149 VanDerWaalsContact O-N 3.13Å; K147-Y149 VanDerWaalsContact C-N 3.28Å; K147-Y149 PolarHBondContact O-N 3.48Å
150	V	84.9	Confident	82.1	Confident	111 Å²	111	122.5 Å²	122.5	67%	0.673	61%	0.609	S	S	*	*	H	α-helix	trans	-84.3	-31.1	-178.8	172.2	0	0	0	0	111.8	P141 S146 K147	P141-V150 HydrophobicContact CG-CG2 4.18Å; S146-V150 WeakPolarHBondContact O-CG2 3.45Å; S146-V150 PolarHBondContact O-N 3.29Å; K147-V150 PolarHBondContact O-N 2.86Å; K147-V150 VanDerWaalsContact O-N 3.08Å
151	G	82.4	Confident	82.2	Confident	33 Å²	33	116.8 Å²	116.8	34%	0.34	60%	0.598	S	S	.	*			trans	161.4	-165.5	175.5	0	0	0	0	0	114.1	K147 D153	K147-G151 PolarHBondContact O-N 3.24Å; K147-G151 VanDerWaalsContact O-N 3.13Å; G151-D153 VanDerWaalsContact C-N 3.35Å; G151-D153 PolarHBondContact O-N 3.28Å
152	H	74.8	Confident	82.1	Confident	189 Å²	189	122.3 Å²	122.3	88%	0.875	62%	0.622	S	S	*	*			trans	-93.1	55.3	179.4	-65.2	-59.8	0	0	0	112.3
153	D	74.1	Confident	82.1	Confident	117 Å²	117	116.3 Å²	116.3	63%	0.626	60%	0.603	S	S	*	*			trans	-83.5	125.9	164.8	-77.5	-25.4	0	0	0	108.8	G151	G151-D153 VanDerWaalsContact C-N 3.35Å; G151-D153 PolarHBondContact O-N 3.28Å
154	P	68.8	Low	81.6	Confident	185 Å²	185	118 Å²	118	100%	1.201	61%	0.61	S	S	*	*			trans	-66.8	0	178.4	27.9	-34.2	0	0	0	113.9

Retrieved 154 of 154 residues in 94.3 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).