A0A087X4P9_POEFO 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 A0A087X4P9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 140 aa.

						>A0A087X4P9_POEFO|A0A087X4P9
MRAETPSTSATVMASTAAARTAAGAAKVVKPILSRDLDEAKRRVRELYRAWYREVPNTVAMFQLDITTRQGRDKVREMFDKNKHVTDLRVIDMLVIKGKMELQETIQVWKQKTHVMRYFHESEEPRAADFLSKFYKGHNP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.9	Very low	44.5	Very low	244 Å²	244	143.4 Å²	143.4	100%	1.202	84%	0.835	S	S	*	*				0	67.7	0	-156.5	166.9	172.5	0	0	106.8
2	R	41.4	Very low	44.3	Very low	233 Å²	233	142.9 Å²	142.9	88%	0.879	84%	0.835	S	S	*	*				39.8	104.7	98.1	-88.6	-169.1	176.3	-177	-0.7	114.2
3	A	43.2	Very low	44	Very low	103 Å²	103	143.5 Å²	143.5	85%	0.851	83%	0.828	S	S	*	*			trans	-156.1	99.1	134.9	0	0	0	0	0	108.1
4	E	42.5	Very low	44	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	83%	0.831	S	S	*	*			trans	-77.2	141.3	160.8	-69.2	168.2	144.4	0	0	108.2
5	T	57.4	Low	44.1	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	82%	0.82	S	S	*	*			trans	-132.6	144.8	156.7	51.6	0	0	0	0	110.2
6	P	46.7	Very low	44.1	Very low	124 Å²	124	137.4 Å²	137.4	81%	0.805	82%	0.82	S	S	*	*			trans	-97.4	156	-155.7	36.8	-34.1	0	0	0	115.3
7	S	47.6	Very low	43.8	Very low	104 Å²	104	135 Å²	135	73%	0.727	82%	0.819	S	S	*	*			trans	-26.3	137.3	159.2	157.4	0	0	0	0	116.8
8	T	44.3	Very low	43.4	Very low	135 Å²	135	132.7 Å²	132.7	83%	0.828	82%	0.816	S	S	*	*			trans	-150.2	104.4	142.4	-60	0	0	0	0	111.5
9	S	36.8	Very low	43.4	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	81%	0.809	S	S	*	*			trans	42.3	125.3	132.6	-65.8	0	0	0	0	123.2
10	A	40.7	Very low	43.8	Very low	86 Å²	86	135.7 Å²	135.7	71%	0.711	82%	0.815	S	S	*	*				84.6	103.3	121.8	0	0	0	0	0	119.9	V12	A10-V12 PolarHBondContact O-N 2.97Å
11	T	45.9	Very low	43.9	Very low	128 Å²	128	135.3 Å²	135.3	79%	0.785	81%	0.813	S	S	*	*			trans	-16.9	118	130.6	-52.3	0	0	0	0	114
12	V	42.5	Very low	44	Very low	138 Å²	138	128.3 Å²	128.3	84%	0.836	79%	0.794	S	S	*	*			trans	-139.8	123.7	143.8	-173.4	0	0	0	0	109.8	A10	A10-V12 PolarHBondContact O-N 2.97Å
13	M	40	Very low	44.5	Very low	150 Å²	150	121.8 Å²	121.8	74%	0.739	79%	0.79	S	S	*	*			trans	-48.1	140.8	176.5	-70.2	-79.3	-173.5	0	0	114.3	S15	M13-S15 PolarHBondContact O-N 3.47Å
14	A	44.7	Very low	44.9	Very low	105 Å²	105	120 Å²	120	87%	0.868	78%	0.782	S	S	*	*			trans	-57.8	121.6	146.1	0	0	0	0	0	108.9
15	S	44.4	Very low	45.3	Very low	96 Å²	96	116.1 Å²	116.1	67%	0.671	78%	0.781	S	S	*	*			trans	-143.7	109.4	160.8	53.8	0	0	0	0	110.6	M13	M13-S15 PolarHBondContact O-N 3.47Å
16	T	44	Very low	45.4	Very low	132 Å²	132	113.6 Å²	113.6	81%	0.81	77%	0.773	S	S	*	*			trans	54.1	110.5	141.5	52.8	0	0	0	0	118.6	A18	T16-A18 PolarHBondContact O-N 3.16Å
17	A	39	Very low	46.1	Very low	97 Å²	97	116.9 Å²	116.9	80%	0.802	78%	0.775	S	S	*	*			trans	-27.6	115.9	155.9	0	0	0	0	0	113.3	A19	A17-A19 PolarHBondContact O-N 3.42Å
18	A	37.9	Very low	46.6	Very low	94 Å²	94	118.6 Å²	118.6	78%	0.777	78%	0.781	S	S	*	*			trans	-68	88.6	159.3	0	0	0	0	0	107.8	T16 R20	T16-A18 PolarHBondContact O-N 3.16Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 3.23Å
19	A	42.7	Very low	47.6	Very low	83 Å²	83	115.6 Å²	115.6	69%	0.686	76%	0.762	S	S	*	*			trans	-57.2	100.3	160.8	0	0	0	0	0	107	A17 T21	A17-A19 PolarHBondContact O-N 3.42Å; A19-T21 PolarHBondContact O-N 3.33Å
20	R	51.2	Low	49.2	Very low	242 Å²	242	119.3 Å²	119.3	91%	0.913	77%	0.765	S	S	*	*			trans	-66	90.6	164.6	-62	-174.5	-138	176.1	5.3	105.7	A18 A22	A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 3.23Å; R20-A22 PolarHBondContact O-N 3.44Å
21	T	45.3	Very low	50.6	Low	127 Å²	127	118.7 Å²	118.7	78%	0.779	75%	0.754	S	S	*	*			trans	-54	114.4	164.7	45.9	0	0	0	0	106.1	A19 A23	A19-T21 PolarHBondContact O-N 3.33Å; T21-A23 PolarHBondContact O-N 3.14Å
22	A	46	Very low	51.7	Low	97 Å²	97	116.6 Å²	116.6	80%	0.802	74%	0.737	S	S	*	*			trans	-48	110.2	173.7	0	0	0	0	0	107.5	R20 G24	R20-A22 PolarHBondContact O-N 3.44Å; A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 3.42Å
23	A	52.6	Low	53	Low	97 Å²	97	114 Å²	114	80%	0.802	72%	0.718	S	S	*	*			trans	-57.9	103.7	165.5	0	0	0	0	0	104.8	T21 A25	T21-A23 PolarHBondContact O-N 3.14Å; A23-A25 PolarHBondContact O-N 3.24Å
24	G	50.5	Low	54.7	Low	66 Å²	66	106.9 Å²	106.9	68%	0.68	68%	0.683	S	S	*	*			trans	-47.9	123.1	173.6	0	0	0	0	0	106.3	A22 A26	A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 3.42Å; G24-A26 VanDerWaalsContact C-N 3.28Å; G24-A26 PolarHBondContact O-N 2.83Å
25	A	51.9	Low	56.2	Low	99 Å²	99	111.6 Å²	111.6	82%	0.818	68%	0.678	S	S	*	*			trans	-53.4	97.5	-177	0	0	0	0	0	108.2	A23 K27	A23-A25 PolarHBondContact O-N 3.24Å; A25-K27 PolarHBondContact O-N 2.92Å
26	A	59.8	Low	58	Low	82 Å²	82	112.3 Å²	112.3	68%	0.678	67%	0.674	S	S	*	*			trans	-57.3	116.3	168.3	0	0	0	0	0	103.7	G24 V28	G24-A26 VanDerWaalsContact C-N 3.28Å; G24-A26 PolarHBondContact O-N 2.83Å; A26-V28 WeakPolarHBondContact O-CG2 3.15Å; A26-V28 PolarHBondContact O-N 3.47Å
27	K	60.3	Low	60	Low	194 Å²	194	109.9 Å²	109.9	84%	0.843	66%	0.656	S	S	*	*			trans	-55.4	100.8	172.2	-94.8	179.5	173.6	175.9	0	105.6	A25 V29	A25-K27 PolarHBondContact O-N 2.92Å; K27-V29 HydrophobicContact CB-CG2 4.28Å; K27-V29 PolarHBondContact O-N 3.31Å
28	V	59.2	Low	62.4	Low	139 Å²	139	110.6 Å²	110.6	84%	0.842	65%	0.646	S	S	*	*			trans	-70.4	83.4	174.6	-179.1	0	0	0	0	105.5	A26	A26-V28 WeakPolarHBondContact O-CG2 3.15Å; A26-V28 PolarHBondContact O-N 3.47Å
29	V	63.5	Low	64.8	Low	72 Å²	72	109 Å²	109	44%	0.436	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-75.3	127.2	172.4	-174.9	0	0	0	0	106.5	K27 P31	K27-V29 HydrophobicContact CB-CG2 4.28Å; K27-V29 PolarHBondContact O-N 3.31Å; V29-P31 VanDerWaalsContact O-CD 3.26Å; V29-P31 WeakPolarHBondContact O-CD 3.36Å; V29-P31 VanDerWaalsContact O-N 3.09Å
30	K	70.7	Confident	67	Low	182 Å²	182	105.1 Å²	105.1	79%	0.791	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-54.6	117.4	175.8	-73	-179.3	177.6	177.7	0	109.1
31	P	69.9	Low	68.9	Low	73 Å²	73	99 Å²	99	47%	0.474	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-64	143.7	173.1	24.2	-30	0	0	0	109.3	V29 S34	V29-P31 VanDerWaalsContact O-CD 3.26Å; V29-P31 WeakPolarHBondContact O-CD 3.36Å; V29-P31 VanDerWaalsContact O-N 3.09Å; P31-S34 WeakPolarHBondContact CB-O 3.49Å
32	I	69.4	Low	71.2	Confident	84 Å²	84	100.1 Å²	100.1	43%	0.431	56%	0.561	S	S	.	*	S	Bend	trans	-79.8	-46.8	-178.7	-62	174.4	0	0	0	109.7	R89 M93 I96	I32-R89 HydrophobicContact CD1-CB 4.17Å; I32-M93 HydrophobicContact CD1-CG 4.29Å; I32-I96 HydrophobicContact CG2-CD1 4.34Å
33	L	70.4	Confident	73.3	Confident	84 Å²	84	97.7 Å²	97.7	44%	0.44	53%	0.531	S	S	.	.	S	Bend	trans	-138.5	-45.2	179	-127.1	100.8	0	0	0	112.7	R43 D92 I96	L33-R43 PolarHBondContact O-NH1 3.37Å; L33-D92 HydrophobicContact CB-CB 4.4Å; L33-D92 PolarHBondContact N-OD2 3.42Å; L33-I96 HydrophobicContact CD1-CD1 4.27Å
34	S	74.6	Confident	75.3	Confident	0 Å²	0	95.2 Å²	95.2	0%	0	51%	0.506	C	S	.	.			trans	-96.7	130.4	-174.4	-56.5	0	0	0	0	111	P31 E39 R43 D92	P31-S34 WeakPolarHBondContact CB-O 3.49Å; S34-E39 WeakPolarHBondContact CA-OE2 2.88Å; S34-R43 PolarHBondContact OG-NH1 3.49Å; S34-D92 WeakPolarHBondContact CB-OD1 3.48Å; S34-D92 PolarHBondContact N-OD2 2.92Å; S34-D92 PolarHBondContact OG-OD1 3.49Å
35	R	77.6	Confident	77.4	Confident	203 Å²	203	99.4 Å²	99.4	77%	0.766	50%	0.501	S	S	*	.	S	Bend	trans	-82.3	-34.1	173.9	-63.6	179	-179.3	174.8	-0.1	111.3	E39	R35-E39 PolarHBondContact N-OE2 3.15Å
36	D	82.8	Confident	79.4	Confident	111 Å²	111	99.5 Å²	99.5	59%	0.594	48%	0.484	S	S	*	.	S	Bend	trans	-131.4	158.4	-175.3	-59.9	-52.2	0	0	0	112.5	D38 E39 A40	D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.09Å; D36-E39 WeakPolarHBondContact O-CB 3.49Å; D36-E39 PolarHBondContact O-N 3.21Å; D36-A40 PolarHBondContact O-N 2.98Å
37	L	85.2	Confident	81.1	Confident	82 Å²	82	96 Å²	96	43%	0.429	45%	0.454	S	S	.	.	H	α-helix	trans	-60.1	-34.3	179	-77.1	171.5	0	0	0	113.2	E39 A40 K41 L88 I91	L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.87Å; L37-A40 PolarHBondContact O-N 3.45Å; L37-K41 VanDerWaalsContact O-CG 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.3Å; L37-K41 PolarHBondContact O-N 3.07Å; L37-L88 HydrophobicContact CD2-CD1 3.33Å; L37-L88 HydrophobicContact CD2-CG 3.87Å; L37-L88 HydrophobicContact CG-CD1 3.74Å; L37-L88 HydrophobicContact CG-CG 4.33Å; L37-I91 HydrophobicContact CD2-CD1 4.5Å
38	D	89.6	Confident	82.8	Confident	111 Å²	111	89.6 Å²	89.6	59%	0.594	43%	0.425	S	S	*	.	H	α-helix	trans	-72.4	-29.4	-177.4	-67.3	-31	0	0	0	112.5	D36 K41 R42	D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.09Å; D38-K41 IonicContact OD1-NZ 2.77Å; D38-K41 PolarHBondContact OD1-NZ 2.72Å; D38-R42 WeakPolarHBondContact O-CB 3.32Å; D38-R42 PolarHBondContact O-N 3.26Å
39	E	88.9	Confident	84.5	Confident	61 Å²	61	90.5 Å²	90.5	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-45.1	172	-152	-170.3	166.1	0	0	110.4	S34 R35 D36 L37 K41 R42 R43	S34-E39 WeakPolarHBondContact CA-OE2 2.88Å; R35-E39 PolarHBondContact N-OE2 3.15Å; D36-E39 WeakPolarHBondContact O-CB 3.49Å; D36-E39 PolarHBondContact O-N 3.21Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.87Å; E39-K41 PolarHBondContact O-N 3.47Å; E39-R42 WeakPolarHBondContact O-CB 3.43Å; E39-R42 PolarHBondContact O-N 2.96Å; E39-R43 VanDerWaalsContact CG-NH1 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.38Å; E39-R43 PolarHBondContact O-N 3.1Å; E39-R43 VanDerWaalsContact O-N 3.07Å; E39-R43 IonicContact OE1-CZ 3.83Å; E39-R43 IonicContact OE1-NH1 3.39Å; E39-R43 PolarHBondContact OE1-NH1 3.34Å; E39-R43 IonicContact OE1-NH2 3.13Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å; E39-R43 IonicContact OE2-NH1 3.57Å
40	A	88.9	Confident	86.1	Confident	1 Å²	1	88.9 Å²	88.9	1%	0.008	41%	0.408	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.9	0	0	0	0	0	111.5	D36 L37 R42 R43 V44 I91	D36-A40 PolarHBondContact O-N 2.98Å; L37-A40 PolarHBondContact O-N 3.45Å; A40-R42 VanDerWaalsContact C-N 3.29Å; A40-R42 PolarHBondContact O-N 2.77Å; A40-R43 PolarHBondContact O-N 3.19Å; A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.39Å; A40-I91 HydrophobicContact CB-CG2 3.96Å
41	K	90.6	Very high	87.3	Confident	115 Å²	115	82.2 Å²	82.2	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-35.8	175.4	-72.6	172.6	-168.3	162.6	0	112.8	L37 D38 E39 R45	L37-K41 VanDerWaalsContact O-CG 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.3Å; L37-K41 PolarHBondContact O-N 3.07Å; D38-K41 IonicContact OD1-NZ 2.77Å; D38-K41 PolarHBondContact OD1-NZ 2.72Å; E39-K41 PolarHBondContact O-N 3.47Å; K41-R45 WeakPolarHBondContact O-CG 3.27Å; K41-R45 PolarHBondContact O-N 2.77Å; K41-R45 VanDerWaalsContact O-N 3.12Å; K41-R45 PolarHBondContact O-NE 2.92Å
42	R	92.6	Very high	88.4	Confident	149 Å²	149	83.1 Å²	83.1	56%	0.562	37%	0.372	S	S	*	.	H	α-helix	trans	-63.3	-49	175	-175.8	-175.1	-62.4	-105.1	1.1	110.4	D38 E39 A40 V44 R45 E46	D38-R42 WeakPolarHBondContact O-CB 3.32Å; D38-R42 PolarHBondContact O-N 3.26Å; E39-R42 WeakPolarHBondContact O-CB 3.43Å; E39-R42 PolarHBondContact O-N 2.96Å; A40-R42 VanDerWaalsContact C-N 3.29Å; A40-R42 PolarHBondContact O-N 2.77Å; R42-V44 PolarHBondContact O-N 3.33Å; R42-R45 PolarHBondContact O-N 3.06Å; R42-E46 WeakPolarHBondContact CG-OE1 3.11Å; R42-E46 WeakPolarHBondContact O-CG 3.31Å; R42-E46 PolarHBondContact O-N 3.14Å
43	R	91.3	Very high	89.6	Confident	47 Å²	47	87.1 Å²	87.1	18%	0.177	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-41.1	179.3	-69.1	-179.5	172.4	112.2	7.8	113.1	L33 S34 E39 A40 E46 L47 V95	L33-R43 PolarHBondContact O-NH1 3.37Å; S34-R43 PolarHBondContact OG-NH1 3.49Å; E39-R43 VanDerWaalsContact CG-NH1 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.38Å; E39-R43 PolarHBondContact O-N 3.1Å; E39-R43 VanDerWaalsContact O-N 3.07Å; E39-R43 IonicContact OE1-CZ 3.83Å; E39-R43 IonicContact OE1-NH1 3.39Å; E39-R43 PolarHBondContact OE1-NH1 3.34Å; E39-R43 IonicContact OE1-NH2 3.13Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å; E39-R43 IonicContact OE2-NH1 3.57Å; A40-R43 PolarHBondContact O-N 3.19Å; R43-E46 PolarHBondContact O-N 3.32Å; R43-L47 WeakPolarHBondContact O-CB 3.15Å; R43-L47 PolarHBondContact O-N 2.9Å; R43-V95 HydrophobicContact CB-CG1 4.22Å
44	V	93.6	Very high	90.7	Very high	44 Å²	44	84.2 Å²	84.2	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-44.7	174.7	172.8	0	0	0	0	110.8	A40 R42 L47 Y48 F79 I91 V95	A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.39Å; R42-V44 PolarHBondContact O-N 3.33Å; V44-L47 PolarHBondContact O-N 2.96Å; V44-Y48 PolarHBondContact O-N 2.91Å; V44-F79 HydrophobicContact CG1-CD1 4.07Å; V44-F79 HydrophobicContact CG1-CE1 3.98Å; V44-I91 HydrophobicContact CG2-CG2 3.77Å; V44-V95 HydrophobicContact CB-CG2 4.47Å; V44-V95 HydrophobicContact CG2-CG2 3.48Å; V44-V95 VanDerWaalsContact CG2-CG2 3.48Å
45	R	94.1	Very high	91.6	Very high	154 Å²	154	84.7 Å²	84.7	58%	0.581	37%	0.369	S	S	*	.	H	α-helix	trans	-65.4	-39.4	177.4	-75.1	-176.6	-66.7	153.8	-4.1	112.7	K41 R42 Y48 R49	K41-R45 WeakPolarHBondContact O-CG 3.27Å; K41-R45 PolarHBondContact O-N 2.77Å; K41-R45 VanDerWaalsContact O-N 3.12Å; K41-R45 PolarHBondContact O-NE 2.92Å; R42-R45 PolarHBondContact O-N 3.06Å; R45-Y48 PolarHBondContact O-N 3.16Å; R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.34Å; R45-R49 PolarHBondContact O-N 3.33Å
46	E	95.5	Very high	92.4	Very high	101 Å²	101	76.9 Å²	76.9	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-45.9	174.6	-74.5	169.6	-172.4	0	0	111.3	R42 R43 Y48 R49 A50	R42-E46 WeakPolarHBondContact CG-OE1 3.11Å; R42-E46 WeakPolarHBondContact O-CG 3.31Å; R42-E46 PolarHBondContact O-N 3.14Å; R43-E46 PolarHBondContact O-N 3.32Å; E46-Y48 PolarHBondContact O-N 3.36Å; E46-R49 PolarHBondContact O-N 2.92Å; E46-A50 PolarHBondContact O-N 3.23Å
47	L	95.5	Very high	92.9	Very high	8 Å²	8	75.7 Å²	75.7	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-45.6	175.9	180	61.8	0	0	0	111.6	R43 V44 R49 A50 W51 F79 V95 K99 L102	R43-L47 WeakPolarHBondContact O-CB 3.15Å; R43-L47 PolarHBondContact O-N 2.9Å; V44-L47 PolarHBondContact O-N 2.96Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3Å; L47-A50 WeakPolarHBondContact O-CB 3.49Å; L47-A50 PolarHBondContact O-N 3.28Å; L47-W51 PolarHBondContact O-N 3.47Å; L47-F79 HydrophobicContact CD2-CE1 4.43Å; L47-F79 HydrophobicContact CD2-CZ 4.12Å; L47-F79 HydrophobicContact CG-CZ 4.03Å; L47-V95 HydrophobicContact CD2-CG1 4.32Å; L47-K99 HydrophobicContact CD1-CG 3.8Å; L47-L102 HydrophobicContact CD1-CD2 4.41Å
48	Y	95.6	Very high	93.2	Very high	61 Å²	61	72.2 Å²	72.2	24%	0.239	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-42.5	176.8	-179.3	-96	0	0	0	112.2	V44 R45 E46 A50 W51 Y52 V75 F79	V44-Y48 PolarHBondContact O-N 2.91Å; R45-Y48 PolarHBondContact O-N 3.16Å; E46-Y48 PolarHBondContact O-N 3.36Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.21Å; Y48-W51 PolarHBondContact O-N 3.17Å; Y48-Y52 WeakPolarHBondContact O-CB 3.5Å; Y48-Y52 PolarHBondContact O-N 2.96Å; Y48-V75 HydrophobicContact CD2-CG1 4.23Å; Y48-V75 HydrophobicContact CE2-CG1 4.12Å; Y48-F79 HydrophobicContact CD2-CD1 4.41Å; Y48-F79 AromaticContact CD2-CD2 3.83Å; Y48-F79 HydrophobicContact CD2-CD2 3.83Å; Y48-F79 AromaticContact CD2-CE2 3.96Å; Y48-F79 HydrophobicContact CD2-CE2 3.96Å; Y48-F79 HydrophobicContact CD2-CG 4.06Å; Y48-F79 HydrophobicContact CD2-CZ 4.3Å; Y48-F79 HydrophobicContact CE2-CD2 4.46Å
49	R	95.4	Very high	93.3	Very high	157 Å²	157	68 Å²	68	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-37.5	176.6	-71.2	168.9	69.3	124.9	1	112.3	R45 E46 L47 Y52 R53	R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.34Å; R45-R49 PolarHBondContact O-N 3.33Å; E46-R49 PolarHBondContact O-N 2.92Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3Å; R49-Y52 PolarHBondContact O-N 3.27Å; R49-R53 WeakPolarHBondContact O-CG 2.84Å; R49-R53 PolarHBondContact O-N 3.05Å
50	A	95.8	Very high	93.5	Very high	38 Å²	38	68.6 Å²	68.6	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-48.8	176.3	0	0	0	0	0	110.8	E46 L47 Y48 Y52 R53 E54 L102	E46-A50 PolarHBondContact O-N 3.23Å; L47-A50 WeakPolarHBondContact O-CB 3.49Å; L47-A50 PolarHBondContact O-N 3.28Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.21Å; A50-Y52 VanDerWaalsContact C-N 3.35Å; A50-Y52 PolarHBondContact O-N 3.19Å; A50-R53 PolarHBondContact O-N 3.09Å; A50-E54 PolarHBondContact O-N 3.44Å; A50-E54 VanDerWaalsContact O-N 3.11Å; A50-L102 HydrophobicContact CB-CD2 3.66Å
51	W	95.2	Very high	93.6	Very high	42 Å²	42	73 Å²	73	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-45.3	174	-86.6	101.4	0	0	0	112.6	L47 Y48 R53 E54 V55 V75 G98 E101 L102	L47-W51 PolarHBondContact O-N 3.47Å; Y48-W51 PolarHBondContact O-N 3.17Å; W51-R53 PolarHBondContact O-N 3.13Å; W51-E54 PolarHBondContact O-N 3.08Å; W51-V55 WeakPolarHBondContact O-CG2 3.5Å; W51-V55 PolarHBondContact O-N 2.99Å; W51-V75 HydrophobicContact CB-CG1 3.95Å; W51-V75 HydrophobicContact CE3-CG2 4.33Å; W51-V75 HydrophobicContact CG-CG1 4.5Å; W51-G98 PolarHBondContact NE1-O 2.89Å; W51-E101 HydrophobicContact CZ2-CB 3.95Å; W51-L102 HydrophobicContact CD2-CD1 3.84Å; W51-L102 HydrophobicContact CE3-CD1 4.03Å; W51-L102 HydrophobicContact CG-CD1 4.27Å; W51-L102 HydrophobicContact CH2-CD1 4.37Å; W51-L102 HydrophobicContact CZ2-CB 3.79Å; W51-L102 HydrophobicContact CZ2-CD1 4.21Å; W51-L102 HydrophobicContact CZ3-CD1 4.29Å
52	Y	94	Very high	93.6	Very high	92 Å²	92	68.6 Å²	68.6	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-33.5	-178	-167.9	-91.3	0	0	0	113.6	Y48 R49 A50 R72	Y48-Y52 WeakPolarHBondContact O-CB 3.5Å; Y48-Y52 PolarHBondContact O-N 2.96Å; R49-Y52 PolarHBondContact O-N 3.27Å; A50-Y52 VanDerWaalsContact C-N 3.35Å; A50-Y52 PolarHBondContact O-N 3.19Å; Y52-R72 HydrophobicContact CD2-CB 4.4Å; Y52-R72 HydrophobicContact CD2-CG 3.89Å; Y52-R72 HydrophobicContact CE2-CB 4.06Å; Y52-R72 HydrophobicContact CE2-CG 3.67Å; Y52-R72 VanDerWaalsContact CZ-CZ 3.49Å; Y52-R72 VanDerWaalsContact CZ-NE 3.33Å; Y52-R72 PolarHBondContact OH-NH1 3.35Å; Y52-R72 VanDerWaalsContact OH-NH1 3.11Å
53	R	94.4	Very high	93.4	Very high	168 Å²	168	68.9 Å²	68.9	63%	0.634	32%	0.324	S	S	*	.	H	α-helix	trans	-77.7	-31.4	176	-69.5	171.7	-178.9	171.7	-4.7	112.4	R49 A50 W51 P56	R49-R53 WeakPolarHBondContact O-CG 2.84Å; R49-R53 PolarHBondContact O-N 3.05Å; A50-R53 PolarHBondContact O-N 3.09Å; W51-R53 PolarHBondContact O-N 3.13Å; R53-P56 WeakPolarHBondContact O-CD 3.46Å
54	E	93.5	Very high	93.2	Very high	23 Å²	23	67.4 Å²	67.4	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-82.3	-25.6	-176.6	-171.2	50.5	-146.9	0	0	113.3	A50 W51 N57 T58 L102 I106	A50-E54 PolarHBondContact O-N 3.44Å; A50-E54 VanDerWaalsContact O-N 3.11Å; W51-E54 PolarHBondContact O-N 3.08Å; E54-N57 WeakPolarHBondContact O-CB 3.41Å; E54-N57 PolarHBondContact O-N 3.43Å; E54-N57 WeakPolarHBondContact OE1-CB 3.39Å; E54-N57 PolarHBondContact OE2-ND2 3.31Å; E54-T58 PolarHBondContact O-N 3.04Å; E54-T58 PolarHBondContact O-OG1 3.47Å; E54-T58 VanDerWaalsContact O-OG1 3.07Å; E54-L102 HydrophobicContact CB-CD1 3.88Å; E54-L102 HydrophobicContact CG-CD1 3.82Å; E54-I106 HydrophobicContact CG-CD1 4.43Å; E54-I106 HydrophobicContact CG-CG1 3.8Å
55	V	93.9	Very high	92.9	Very high	10 Å²	10	71.8 Å²	71.8	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-51.5	-49.6	-179.9	166.3	0	0	0	0	113.5	W51 N57 T58 V59 R72 V75	W51-V55 WeakPolarHBondContact O-CG2 3.5Å; W51-V55 PolarHBondContact O-N 2.99Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 3.3Å; V55-T58 PolarHBondContact O-N 3.29Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.46Å; V55-V59 PolarHBondContact O-N 2.93Å; V55-R72 HydrophobicContact CB-CG 4.31Å; V55-R72 HydrophobicContact CG1-CG 4.04Å; V55-V75 HydrophobicContact CG2-CG2 3.73Å
56	P	94.6	Very high	92.6	Very high	39 Å²	39	65.3 Å²	65.3	25%	0.253	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-40	177.1	-23.2	34.7	0	0	0	113.5	R53 V59 A60 T68	R53-P56 WeakPolarHBondContact O-CD 3.46Å; P56-V59 PolarHBondContact O-N 3.34Å; P56-A60 PolarHBondContact O-N 2.9Å; P56-A60 VanDerWaalsContact O-N 3.09Å; P56-T68 HydrophobicContact CB-CG2 4.26Å
57	N	93.3	Very high	92.4	Very high	86 Å²	86	64.1 Å²	64.1	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-45.7	177.6	-62.7	-20.4	0	0	0	110.6	E54 V55 V59 A60 M61	E54-N57 WeakPolarHBondContact O-CB 3.41Å; E54-N57 PolarHBondContact O-N 3.43Å; E54-N57 WeakPolarHBondContact OE1-CB 3.39Å; E54-N57 PolarHBondContact OE2-ND2 3.31Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 3.3Å; N57-V59 PolarHBondContact O-N 3.37Å; N57-A60 PolarHBondContact O-N 3.35Å; N57-M61 WeakPolarHBondContact O-CB 3.49Å; N57-M61 PolarHBondContact O-N 3.04Å
58	T	91.9	Very high	92.2	Very high	10 Å²	10	66.6 Å²	66.6	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-46.6	176.8	-59.1	0	0	0	0	111.2	E54 V55 A60 M61 F62 L64 T105 V115	E54-T58 PolarHBondContact O-N 3.04Å; E54-T58 PolarHBondContact O-OG1 3.47Å; E54-T58 VanDerWaalsContact O-OG1 3.07Å; V55-T58 PolarHBondContact O-N 3.29Å; T58-A60 VanDerWaalsContact C-N 3.35Å; T58-A60 PolarHBondContact O-N 3.44Å; T58-M61 PolarHBondContact O-N 3.25Å; T58-F62 HydrophobicContact CG2-CD2 3.57Å; T58-F62 HydrophobicContact CG2-CE2 3.89Å; T58-F62 WeakPolarHBondContact O-CB 3.34Å; T58-F62 VanDerWaalsContact O-CD2 3.27Å; T58-F62 WeakPolarHBondContact O-CD2 3.44Å; T58-F62 PolarHBondContact O-N 2.91Å; T58-L64 HydrophobicContact CG2-CD1 4.45Å; T58-T105 HydrophobicContact CG2-CG2 3.68Å; T58-T105 VanDerWaalsContact OG1-CG2 3.24Å; T58-T105 WeakPolarHBondContact OG1-CG2 3.43Å; T58-V115 HydrophobicContact CG2-CG1 4.43Å
59	V	91.8	Very high	92.1	Very high	21 Å²	21	72.6 Å²	72.6	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.4	170.9	0	0	0	0	111.5	V55 P56 N57 Q63 L64 I66 T68	V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.46Å; V55-V59 PolarHBondContact O-N 2.93Å; P56-V59 PolarHBondContact O-N 3.34Å; N57-V59 PolarHBondContact O-N 3.37Å; V59-Q63 WeakPolarHBondContact O-CA 3.27Å; V59-Q63 PolarHBondContact O-N 3.46Å; V59-Q63 VanDerWaalsContact O-N 3.15Å; V59-L64 HydrophobicContact CG2-CD1 4.26Å; V59-L64 PolarHBondContact O-N 3.19Å; V59-L64 VanDerWaalsContact O-N 3.16Å; V59-I66 HydrophobicContact CG2-CD1 4.42Å; V59-I66 HydrophobicContact CG2-CG1 4.23Å; V59-T68 HydrophobicContact CB-CG2 4.29Å; V59-T68 HydrophobicContact CG1-CG2 4.28Å; V59-T68 HydrophobicContact CG2-CG2 4.37Å
60	A	91.6	Very high	91.9	Very high	74 Å²	74	69.9 Å²	69.9	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-69	-45	179	0	0	0	0	0	112.3	P56 N57 T58 Q63	P56-A60 PolarHBondContact O-N 2.9Å; P56-A60 VanDerWaalsContact O-N 3.09Å; N57-A60 PolarHBondContact O-N 3.35Å; T58-A60 VanDerWaalsContact C-N 3.35Å; T58-A60 PolarHBondContact O-N 3.44Å; A60-Q63 PolarHBondContact O-N 3.09Å
61	M	91.8	Very high	91.7	Very high	94 Å²	94	68.3 Å²	68.3	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-70.5	-38.6	-174.7	-174.5	144.9	47.4	0	0	112.8	N57 T58 V108	N57-M61 WeakPolarHBondContact O-CB 3.49Å; N57-M61 PolarHBondContact O-N 3.04Å; T58-M61 PolarHBondContact O-N 3.25Å; M61-V108 HydrophobicContact CE-CG2 4.05Å; M61-V108 HydrophobicContact CG-CG2 4.23Å; M61-V108 HydrophobicContact SD-CG2 3.63Å
62	F	89.9	Confident	91.6	Very high	23 Å²	23	69.8 Å²	69.8	10%	0.101	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.4	176.9	-68	-70.6	0	0	0	114	T58 L64 T105 V108 K110 V115	T58-F62 HydrophobicContact CG2-CD2 3.57Å; T58-F62 HydrophobicContact CG2-CE2 3.89Å; T58-F62 WeakPolarHBondContact O-CB 3.34Å; T58-F62 VanDerWaalsContact O-CD2 3.27Å; T58-F62 WeakPolarHBondContact O-CD2 3.44Å; T58-F62 PolarHBondContact O-N 2.91Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 HydrophobicContact CB-CD2 3.65Å; F62-L64 HydrophobicContact CB-CG 3.84Å; F62-L64 PolarHBondContact O-N 3.07Å; F62-T105 HydrophobicContact CE2-CG2 4.15Å; F62-V108 HydrophobicContact CE1-CG1 3.72Å; F62-V108 HydrophobicContact CZ-CB 4.48Å; F62-V108 HydrophobicContact CZ-CG1 3.84Å; F62-K110 WeakPolarHBondContact CE1-O 3.33Å; F62-V115 HydrophobicContact CD2-CG2 4.45Å; F62-V115 HydrophobicContact CE2-CG2 4.48Å
63	Q	88.9	Confident	91.6	Very high	155 Å²	155	68.4 Å²	68.4	72%	0.724	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	56.3	-175.7	-59.5	179.1	2.7	0	0	111.1	V59 A60 K112	V59-Q63 WeakPolarHBondContact O-CA 3.27Å; V59-Q63 PolarHBondContact O-N 3.46Å; V59-Q63 VanDerWaalsContact O-N 3.15Å; A60-Q63 PolarHBondContact O-N 3.09Å; Q63-K112 PolarHBondContact O-NZ 2.87Å
64	L	87	Confident	91.4	Very high	15 Å²	15	61.8 Å²	61.8	8%	0.079	32%	0.318	C	S	.	.			trans	-77.7	142.2	-179.2	-55.5	178.9	0	0	0	110.1	T58 V59 F62 I66 K112 V115 M116	T58-L64 HydrophobicContact CG2-CD1 4.45Å; V59-L64 HydrophobicContact CG2-CD1 4.26Å; V59-L64 PolarHBondContact O-N 3.19Å; V59-L64 VanDerWaalsContact O-N 3.16Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 HydrophobicContact CB-CD2 3.65Å; F62-L64 HydrophobicContact CB-CG 3.84Å; F62-L64 PolarHBondContact O-N 3.07Å; L64-I66 HydrophobicContact CB-CD1 4.33Å; L64-I66 HydrophobicContact CB-CG1 3.79Å; L64-I66 HydrophobicContact CD1-CD1 3.92Å; L64-I66 HydrophobicContact CD1-CG1 4.26Å; L64-I66 PolarHBondContact O-N 3.15Å; L64-K112 HydrophobicContact CD2-CB 4.42Å; L64-K112 HydrophobicContact CD2-CD 4.16Å; L64-K112 HydrophobicContact CD2-CG 3.72Å; L64-V115 HydrophobicContact CD1-CG1 3.76Å; L64-M116 HydrophobicContact CD2-CG 4.29Å; L64-M116 HydrophobicContact CD2-SD 4.06Å
65	D	87.3	Confident	91.4	Very high	137 Å²	137	61.6 Å²	61.6	73%	0.733	32%	0.318	S	S	*	.	S	Bend	trans	-80.6	20.6	179.2	-51.9	-62.1	0	0	0	112.4	K112	D65-K112 IonicContact OD1-NZ 2.77Å; D65-K112 IonicContact OD2-NZ 3.81Å; D65-K112 PolarHBondContact OD2-NZ 3.18Å
66	I	87.7	Confident	91.4	Very high	17 Å²	17	66.7 Å²	66.7	9%	0.087	34%	0.336	C	S	.	.	S	Bend	trans	-111.8	152.4	-178.7	67.7	177.9	0	0	0	110.7	V59 L64 M116 F119	V59-I66 HydrophobicContact CG2-CD1 4.42Å; V59-I66 HydrophobicContact CG2-CG1 4.23Å; L64-I66 HydrophobicContact CB-CD1 4.33Å; L64-I66 HydrophobicContact CB-CG1 3.79Å; L64-I66 HydrophobicContact CD1-CD1 3.92Å; L64-I66 HydrophobicContact CD1-CG1 4.26Å; L64-I66 PolarHBondContact O-N 3.15Å; I66-M116 HydrophobicContact CG2-CE 4.32Å; I66-M116 HydrophobicContact CG2-SD 4.45Å; I66-F119 HydrophobicContact CD1-CE1 3.84Å; I66-F119 HydrophobicContact CD1-CE2 3.66Å; I66-F119 HydrophobicContact CD1-CZ 3.24Å
67	T	92.4	Very high	91.3	Very high	76 Å²	76	68.5 Å²	68.5	47%	0.466	34%	0.341	S	S	.	.			trans	-75.3	149.8	171.5	63.9	0	0	0	0	111.2	R69 Q70 G71	T67-R69 PolarHBondContact O-N 2.77Å; T67-R69 VanDerWaalsContact O-N 3.15Å; T67-Q70 PolarHBondContact O-N 3.41Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.44Å; T67-Q70 VanDerWaalsContact OG1-CG 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 2.94Å; T67-Q70 PolarHBondContact OG1-N 2.98Å; T67-Q70 PolarHBondContact OG1-OE1 3.43Å; T67-G71 PolarHBondContact O-N 3.39Å
68	T	91.2	Very high	91.3	Very high	61 Å²	61	67.5 Å²	67.5	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-28.7	173.6	56.3	0	0	0	0	112.6	P56 V59 R72	P56-T68 HydrophobicContact CB-CG2 4.26Å; V59-T68 HydrophobicContact CB-CG2 4.29Å; V59-T68 HydrophobicContact CG1-CG2 4.28Å; V59-T68 HydrophobicContact CG2-CG2 4.37Å; T68-R72 WeakPolarHBondContact O-CG 3.18Å; T68-R72 PolarHBondContact O-N 2.86Å; T68-R72 VanDerWaalsContact O-N 3.07Å
69	R	92.6	Very high	91.3	Very high	186 Å²	186	69.8 Å²	69.8	70%	0.702	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-52	172.6	-179.7	179.7	171	-175.6	-1	111.4	T67 G71 R72 D73	T67-R69 PolarHBondContact O-N 2.77Å; T67-R69 VanDerWaalsContact O-N 3.15Å; R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.15Å; R69-R72 PolarHBondContact O-N 3.49Å; R69-R72 VanDerWaalsContact O-N 3.09Å; R69-D73 IonicContact NE-OD2 3.42Å; R69-D73 PolarHBondContact O-N 3.09Å
70	Q	91.2	Very high	91.4	Very high	100 Å²	100	73.3 Å²	73.3	47%	0.467	36%	0.362	S	S	.	.	H	α-helix	trans	-58.3	-40.3	176.6	-75.5	163.4	-40.6	0	0	111.6	T67 R72 D73 K74	T67-Q70 PolarHBondContact O-N 3.41Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.44Å; T67-Q70 VanDerWaalsContact OG1-CG 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 2.94Å; T67-Q70 PolarHBondContact OG1-N 2.98Å; T67-Q70 PolarHBondContact OG1-OE1 3.43Å; Q70-R72 PolarHBondContact O-N 3.43Å; Q70-D73 PolarHBondContact O-N 3.39Å; Q70-K74 WeakPolarHBondContact O-CB 3.48Å; Q70-K74 PolarHBondContact O-N 3.34Å
71	G	91.2	Very high	91.4	Very high	5 Å²	5	74.6 Å²	74.6	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.9	0	0	0	0	0	112.9	T67 R69 K74 V75	T67-G71 PolarHBondContact O-N 3.39Å; R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.15Å; G71-K74 PolarHBondContact O-N 3.44Å; G71-V75 WeakPolarHBondContact O-CG2 3.15Å; G71-V75 PolarHBondContact O-N 3.14Å
72	R	93.1	Very high	91.4	Very high	73 Å²	73	73.5 Å²	73.5	28%	0.275	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-41.3	177.5	-74.2	167.6	171.7	175	6.2	112.6	Y52 V55 T68 R69 Q70 K74 V75 R76	Y52-R72 HydrophobicContact CD2-CB 4.4Å; Y52-R72 HydrophobicContact CD2-CG 3.89Å; Y52-R72 HydrophobicContact CE2-CB 4.06Å; Y52-R72 HydrophobicContact CE2-CG 3.67Å; Y52-R72 VanDerWaalsContact CZ-CZ 3.49Å; Y52-R72 VanDerWaalsContact CZ-NE 3.33Å; Y52-R72 PolarHBondContact OH-NH1 3.35Å; Y52-R72 VanDerWaalsContact OH-NH1 3.11Å; V55-R72 HydrophobicContact CB-CG 4.31Å; V55-R72 HydrophobicContact CG1-CG 4.04Å; T68-R72 WeakPolarHBondContact O-CG 3.18Å; T68-R72 PolarHBondContact O-N 2.86Å; T68-R72 VanDerWaalsContact O-N 3.07Å; R69-R72 PolarHBondContact O-N 3.49Å; R69-R72 VanDerWaalsContact O-N 3.09Å; Q70-R72 PolarHBondContact O-N 3.43Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.23Å; R72-V75 PolarHBondContact O-N 3.16Å; R72-R76 PolarHBondContact O-N 3.44Å
73	D	93.9	Very high	91.4	Very high	63 Å²	63	80.9 Å²	80.9	34%	0.337	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-36.1	177.2	-70.5	-29.9	0	0	0	110.6	R69 Q70 R76 E77	R69-D73 IonicContact NE-OD2 3.42Å; R69-D73 PolarHBondContact O-N 3.09Å; Q70-D73 PolarHBondContact O-N 3.39Å; D73-R76 WeakPolarHBondContact O-CB 3.48Å; D73-R76 PolarHBondContact O-N 2.62Å; D73-R76 IonicContact OD1-NH1 2.76Å; D73-R76 PolarHBondContact OD1-NH1 2.67Å; D73-R76 VanDerWaalsContact OD1-NH1 3.13Å; D73-E77 PolarHBondContact O-N 2.9Å
74	K	91.4	Very high	91.5	Very high	29 Å²	29	80.4 Å²	80.4	13%	0.126	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-41.2	174.3	-166.8	55.7	165.7	-170.6	0	113	Q70 G71 R72 R76 E77 M78 Y118 F119	Q70-K74 WeakPolarHBondContact O-CB 3.48Å; Q70-K74 PolarHBondContact O-N 3.34Å; G71-K74 PolarHBondContact O-N 3.44Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.23Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 3.14Å; K74-E77 HydrophobicContact CD-CB 4.45Å; K74-E77 WeakPolarHBondContact CD-OE2 3.27Å; K74-E77 WeakPolarHBondContact CE-OE2 3.24Å; K74-E77 IonicContact NZ-OE1 2.67Å; K74-E77 PolarHBondContact NZ-OE1 3.11Å; K74-E77 IonicContact NZ-OE2 3.5Å; K74-E77 PolarHBondContact NZ-OE2 3.09Å; K74-E77 WeakPolarHBondContact O-CB 3.36Å; K74-E77 PolarHBondContact O-N 3.1Å; K74-M78 WeakPolarHBondContact O-CG 3.31Å; K74-M78 PolarHBondContact O-N 3.33Å; K74-Y118 WeakPolarHBondContact CE-O 3.28Å; K74-Y118 PolarHBondContact NZ-O 3.06Å; K74-F119 HydrophobicContact CB-CD1 4.5Å; K74-F119 HydrophobicContact CB-CE1 3.71Å; K74-F119 HydrophobicContact CB-CZ 4Å; K74-F119 HydrophobicContact CG-CD1 4.25Å; K74-F119 HydrophobicContact CG-CE1 3.84Å; K74-F119 HydrophobicContact CG-CZ 4.05Å
75	V	93.4	Very high	91.7	Very high	20 Å²	20	81.2 Å²	81.2	12%	0.121	39%	0.385	C	S	.	.	H	α-helix	trans	-56.4	-47.9	171.3	171.4	0	0	0	0	109.7	Y48 W51 V55 G71 R72 E77 M78 F79	Y48-V75 HydrophobicContact CD2-CG1 4.23Å; Y48-V75 HydrophobicContact CE2-CG1 4.12Å; W51-V75 HydrophobicContact CB-CG1 3.95Å; W51-V75 HydrophobicContact CE3-CG2 4.33Å; W51-V75 HydrophobicContact CG-CG1 4.5Å; V55-V75 HydrophobicContact CG2-CG2 3.73Å; G71-V75 WeakPolarHBondContact O-CG2 3.15Å; G71-V75 PolarHBondContact O-N 3.14Å; R72-V75 PolarHBondContact O-N 3.16Å; V75-E77 PolarHBondContact O-N 3.14Å; V75-M78 PolarHBondContact O-N 3.43Å; V75-F79 HydrophobicContact CG1-CD2 3.93Å; V75-F79 HydrophobicContact CG1-CE2 3.84Å; V75-F79 VanDerWaalsContact O-CD2 3.31Å; V75-F79 WeakPolarHBondContact O-CD2 3.34Å; V75-F79 PolarHBondContact O-N 3Å; V75-F79 VanDerWaalsContact O-N 3.14Å
76	R	93.3	Very high	91.7	Very high	116 Å²	116	80.4 Å²	80.4	44%	0.438	39%	0.385	S	S	.	.	H	α-helix	trans	-57	-49.1	177.1	-177.4	-175.7	-67.5	134.1	-1.7	112.1	R72 D73 K74 M78 F79 D80	R72-R76 PolarHBondContact O-N 3.44Å; D73-R76 WeakPolarHBondContact O-CB 3.48Å; D73-R76 PolarHBondContact O-N 2.62Å; D73-R76 IonicContact OD1-NH1 2.76Å; D73-R76 PolarHBondContact OD1-NH1 2.67Å; D73-R76 VanDerWaalsContact OD1-NH1 3.13Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 3.14Å; R76-M78 VanDerWaalsContact C-N 3.26Å; R76-M78 PolarHBondContact O-N 2.96Å; R76-F79 PolarHBondContact O-N 3.07Å; R76-F79 VanDerWaalsContact O-N 3.1Å; R76-D80 WeakPolarHBondContact CG-OD2 3.42Å; R76-D80 PolarHBondContact O-N 2.88Å
77	E	93.4	Very high	91.7	Very high	77 Å²	77	82.3 Å²	82.3	36%	0.36	40%	0.395	S	S	.	.	H	α-helix	trans	-53.9	-42.9	177.5	-172	-158.4	131.5	0	0	112	D73 K74 V75 D80 K81	D73-E77 PolarHBondContact O-N 2.9Å; K74-E77 HydrophobicContact CD-CB 4.45Å; K74-E77 WeakPolarHBondContact CD-OE2 3.27Å; K74-E77 WeakPolarHBondContact CE-OE2 3.24Å; K74-E77 IonicContact NZ-OE1 2.67Å; K74-E77 PolarHBondContact NZ-OE1 3.11Å; K74-E77 IonicContact NZ-OE2 3.5Å; K74-E77 PolarHBondContact NZ-OE2 3.09Å; K74-E77 WeakPolarHBondContact O-CB 3.36Å; K74-E77 PolarHBondContact O-N 3.1Å; V75-E77 PolarHBondContact O-N 3.14Å; E77-D80 PolarHBondContact O-N 3.02Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.07Å; E77-K81 WeakPolarHBondContact OE1-CE 3.42Å; E77-K81 IonicContact OE1-NZ 3.94Å; E77-K81 PolarHBondContact OE1-NZ 3.49Å
78	M	91.9	Very high	91.5	Very high	65 Å²	65	80.8 Å²	80.8	32%	0.32	38%	0.384	S	S	.	.	H	α-helix	trans	-68.3	-34.2	-180	-66.8	-61.9	-73.5	0	0	113.1	K74 V75 R76 K81 N82 Y118	K74-M78 WeakPolarHBondContact O-CG 3.31Å; K74-M78 PolarHBondContact O-N 3.33Å; V75-M78 PolarHBondContact O-N 3.43Å; R76-M78 VanDerWaalsContact C-N 3.26Å; R76-M78 PolarHBondContact O-N 2.96Å; M78-K81 HydrophobicContact SD-CD 4.06Å; M78-N82 PolarHBondContact O-ND2 3.35Å; M78-N82 VanDerWaalsContact O-ND2 3.09Å; M78-Y118 HydrophobicContact CE-CD1 4.02Å; M78-Y118 HydrophobicContact CE-CE1 4.06Å
79	F	93.3	Very high	91.2	Very high	58 Å²	58	82.7 Å²	82.7	25%	0.254	38%	0.384	S	S	.	.	H	α-helix	trans	-71.3	-40.3	172.1	-84	-96.3	0	0	0	111.4	V44 L47 Y48 V75 R76 K81 N82	V44-F79 HydrophobicContact CG1-CD1 4.07Å; V44-F79 HydrophobicContact CG1-CE1 3.98Å; L47-F79 HydrophobicContact CD2-CE1 4.43Å; L47-F79 HydrophobicContact CD2-CZ 4.12Å; L47-F79 HydrophobicContact CG-CZ 4.03Å; Y48-F79 HydrophobicContact CD2-CD1 4.41Å; Y48-F79 AromaticContact CD2-CD2 3.83Å; Y48-F79 HydrophobicContact CD2-CD2 3.83Å; Y48-F79 AromaticContact CD2-CE2 3.96Å; Y48-F79 HydrophobicContact CD2-CE2 3.96Å; Y48-F79 HydrophobicContact CD2-CG 4.06Å; Y48-F79 HydrophobicContact CD2-CZ 4.3Å; Y48-F79 HydrophobicContact CE2-CD2 4.46Å; V75-F79 HydrophobicContact CG1-CD2 3.93Å; V75-F79 HydrophobicContact CG1-CE2 3.84Å; V75-F79 VanDerWaalsContact O-CD2 3.31Å; V75-F79 WeakPolarHBondContact O-CD2 3.34Å; V75-F79 PolarHBondContact O-N 3Å; V75-F79 VanDerWaalsContact O-N 3.14Å; R76-F79 PolarHBondContact O-N 3.07Å; R76-F79 VanDerWaalsContact O-N 3.1Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.05Å; F79-N82 PolarHBondContact O-N 3Å; F79-N82 VanDerWaalsContact O-N 3.16Å
80	D	93.1	Very high	91.1	Very high	95 Å²	95	76.8 Å²	76.8	51%	0.508	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-33.8	-179.9	-74.1	-26.1	0	0	0	112.6	R76 E77 N82 K83	R76-D80 WeakPolarHBondContact CG-OD2 3.42Å; R76-D80 PolarHBondContact O-N 2.88Å; E77-D80 PolarHBondContact O-N 3.02Å; D80-N82 PolarHBondContact O-N 3.27Å; D80-N82 VanDerWaalsContact O-N 3.14Å; D80-K83 WeakPolarHBondContact O-CB 3.35Å; D80-K83 PolarHBondContact O-N 3.13Å
81	K	91.6	Very high	91.1	Very high	101 Å²	101	73.4 Å²	73.4	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-53.4	-33.5	172.6	-78.8	174.4	-174	169	0	112.8	E77 M78 F79 H84	E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.07Å; E77-K81 WeakPolarHBondContact OE1-CE 3.42Å; E77-K81 IonicContact OE1-NZ 3.94Å; E77-K81 PolarHBondContact OE1-NZ 3.49Å; M78-K81 HydrophobicContact SD-CD 4.06Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.05Å; K81-H84 PolarHBondContact O-CE1 2.9Å; K81-H84 PolarHBondContact O-ND1 3.21Å
82	N	91.6	Very high	91	Very high	72 Å²	72	73.3 Å²	73.3	39%	0.385	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	7.7	-176.8	-63.1	-54	0	0	0	113.8	M78 F79 D80 H84 V85 L94	M78-N82 PolarHBondContact O-ND2 3.35Å; M78-N82 VanDerWaalsContact O-ND2 3.09Å; F79-N82 PolarHBondContact O-N 3Å; F79-N82 VanDerWaalsContact O-N 3.16Å; D80-N82 PolarHBondContact O-N 3.27Å; D80-N82 VanDerWaalsContact O-N 3.14Å; N82-H84 PolarHBondContact O-N 3.15Å; N82-H84 VanDerWaalsContact O-N 3.14Å; N82-V85 WeakPolarHBondContact O-CG2 3.16Å; N82-V85 PolarHBondContact O-N 3.08Å; N82-L94 HydrophobicContact CB-CD1 4.2Å
83	K	89.9	Confident	90.9	Very high	177 Å²	177	75 Å²	75	77%	0.77	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.5	-177.1	-177.8	178.5	176	-175.8	0	114.3	D80 V85	D80-K83 WeakPolarHBondContact O-CB 3.35Å; D80-K83 PolarHBondContact O-N 3.13Å; K83-V85 VanDerWaalsContact C-N 3.28Å; K83-V85 PolarHBondContact O-N 2.93Å
84	H	91.2	Very high	90.9	Very high	146 Å²	146	74.8 Å²	74.8	68%	0.676	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.7	-176.5	62.9	-84.1	0	0	0	113.7	K81 N82	K81-H84 PolarHBondContact O-CE1 2.9Å; K81-H84 PolarHBondContact O-ND1 3.21Å; N82-H84 PolarHBondContact O-N 3.15Å; N82-H84 VanDerWaalsContact O-N 3.14Å
85	V	90.3	Very high	90.9	Very high	32 Å²	32	73.8 Å²	73.8	19%	0.194	36%	0.359	C	S	.	.			trans	-79.2	123.3	-176.6	-178.2	0	0	0	0	110.5	N82 K83 V90 I91 L94	N82-V85 WeakPolarHBondContact O-CG2 3.16Å; N82-V85 PolarHBondContact O-N 3.08Å; K83-V85 VanDerWaalsContact C-N 3.28Å; K83-V85 PolarHBondContact O-N 2.93Å; V85-V90 HydrophobicContact CG1-CB 3.68Å; V85-V90 HydrophobicContact CG1-CG1 3.54Å; V85-I91 HydrophobicContact CG1-CG1 3.93Å; V85-L94 HydrophobicContact CG2-CD1 4.25Å
86	T	87.1	Confident	90.9	Very high	119 Å²	119	75.5 Å²	75.5	73%	0.73	37%	0.367	S	S	*	.			trans	-110.4	-23.4	-178.8	54.7	0	0	0	0	113.9	L88	T86-L88 PolarHBondContact O-N 3.35Å
87	D	88.5	Confident	91	Very high	58 Å²	58	76.2 Å²	76.2	31%	0.31	37%	0.374	S	S	.	.			trans	-73.9	123.3	179.8	-173.9	-18.2	0	0	0	111.1	R89 V90 I91	D87-R89 VanDerWaalsContact C-N 3.26Å; D87-R89 PolarHBondContact O-N 3.23Å; D87-R89 PolarHBondContact OD1-N 3.39Å; D87-R89 IonicContact OD1-NE 2.87Å; D87-R89 PolarHBondContact OD1-NE 3.34Å; D87-R89 IonicContact OD2-CZ 3.26Å; D87-R89 IonicContact OD2-NE 3.16Å; D87-R89 PolarHBondContact OD2-NE 2.94Å; D87-R89 IonicContact OD2-NH2 2.65Å; D87-R89 PolarHBondContact OD2-NH2 3.24Å; D87-V90 HydrophobicContact CB-CB 4.38Å; D87-V90 HydrophobicContact CB-CG2 3.93Å; D87-V90 PolarHBondContact O-N 3.26Å; D87-V90 VanDerWaalsContact O-N 3.16Å; D87-I91 WeakPolarHBondContact O-CG1 3.5Å; D87-I91 PolarHBondContact O-N 3.25Å; D87-I91 VanDerWaalsContact O-N 3.09Å
88	L	87.4	Confident	91	Very high	44 Å²	44	73.4 Å²	73.4	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-55.3	-39.5	-179.4	-79.7	71	0	0	0	112.4	L37 T86 V90 I91 D92	L37-L88 HydrophobicContact CD2-CD1 3.33Å; L37-L88 HydrophobicContact CD2-CG 3.87Å; L37-L88 HydrophobicContact CG-CD1 3.74Å; L37-L88 HydrophobicContact CG-CG 4.33Å; T86-L88 PolarHBondContact O-N 3.35Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 2.92Å; L88-I91 PolarHBondContact O-N 3.16Å; L88-D92 PolarHBondContact O-N 3.32Å
89	R	86.4	Confident	91.2	Very high	100 Å²	100	74.7 Å²	74.7	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-36.2	-176.2	-61.6	173.5	-62.7	156.3	1.6	111.3	I32 D87 M93	I32-R89 HydrophobicContact CD1-CB 4.17Å; D87-R89 VanDerWaalsContact C-N 3.26Å; D87-R89 PolarHBondContact O-N 3.23Å; D87-R89 PolarHBondContact OD1-N 3.39Å; D87-R89 IonicContact OD1-NE 2.87Å; D87-R89 PolarHBondContact OD1-NE 3.34Å; D87-R89 IonicContact OD2-CZ 3.26Å; D87-R89 IonicContact OD2-NE 3.16Å; D87-R89 PolarHBondContact OD2-NE 2.94Å; D87-R89 IonicContact OD2-NH2 2.65Å; D87-R89 PolarHBondContact OD2-NH2 3.24Å; R89-M93 PolarHBondContact O-N 3.42Å
90	V	90.2	Very high	91.2	Very high	63 Å²	63	76.9 Å²	76.9	38%	0.382	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-42.6	177	-176.2	0	0	0	0	109.5	V85 D87 L88 D92 M93 L94	V85-V90 HydrophobicContact CG1-CB 3.68Å; V85-V90 HydrophobicContact CG1-CG1 3.54Å; D87-V90 HydrophobicContact CB-CB 4.38Å; D87-V90 HydrophobicContact CB-CG2 3.93Å; D87-V90 PolarHBondContact O-N 3.26Å; D87-V90 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 2.92Å; V90-D92 PolarHBondContact O-N 2.76Å; V90-M93 PolarHBondContact O-N 3.09Å; V90-L94 HydrophobicContact CG1-CD1 4.16Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CB 3.5Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 3.26Å
91	I	90.7	Very high	91.3	Very high	28 Å²	28	75 Å²	75	14%	0.144	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-47.1	175.1	-62.1	167.2	0	0	0	110.6	L37 A40 V44 V85 D87 L88 M93 L94 V95	L37-I91 HydrophobicContact CD2-CD1 4.5Å; A40-I91 HydrophobicContact CB-CG2 3.96Å; V44-I91 HydrophobicContact CG2-CG2 3.77Å; V85-I91 HydrophobicContact CG1-CG1 3.93Å; D87-I91 WeakPolarHBondContact O-CG1 3.5Å; D87-I91 PolarHBondContact O-N 3.25Å; D87-I91 VanDerWaalsContact O-N 3.09Å; L88-I91 PolarHBondContact O-N 3.16Å; I91-M93 PolarHBondContact O-N 3.41Å; I91-L94 PolarHBondContact O-N 2.97Å; I91-V95 HydrophobicContact CG2-CG2 4.43Å; I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 2.93Å
92	D	89.5	Confident	91.4	Very high	3 Å²	3	71 Å²	71	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.9	-78.5	-17.5	0	0	0	111.7	L33 S34 L88 V90 L94 V95 I96	L33-D92 HydrophobicContact CB-CB 4.4Å; L33-D92 PolarHBondContact N-OD2 3.42Å; S34-D92 WeakPolarHBondContact CB-OD1 3.48Å; S34-D92 PolarHBondContact N-OD2 2.92Å; S34-D92 PolarHBondContact OG-OD1 3.49Å; L88-D92 PolarHBondContact O-N 3.32Å; V90-D92 PolarHBondContact O-N 2.76Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.4Å; D92-V95 PolarHBondContact O-N 3.5Å; D92-I96 VanDerWaalsContact O-CG1 3.28Å; D92-I96 WeakPolarHBondContact O-CG1 3.45Å; D92-I96 PolarHBondContact O-N 3.22Å
93	M	90.7	Very high	91.6	Very high	109 Å²	109	73 Å²	73	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-42.5	174.9	-90.4	-160.1	159.4	0	0	112.4	I32 R89 V90 I91 V95 I96 K97	I32-M93 HydrophobicContact CD1-CG 4.29Å; R89-M93 PolarHBondContact O-N 3.42Å; V90-M93 PolarHBondContact O-N 3.09Å; I91-M93 PolarHBondContact O-N 3.41Å; M93-V95 VanDerWaalsContact C-N 3.32Å; M93-V95 PolarHBondContact O-N 3.04Å; M93-I96 PolarHBondContact O-N 3.43Å; M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 WeakPolarHBondContact O-CG 3.43Å; M93-K97 PolarHBondContact O-N 3.19Å
94	L	93.1	Very high	91.7	Very high	59 Å²	59	67.5 Å²	67.5	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-39.3	177.2	-72.3	171.7	0	0	0	111.4	N82 V85 V90 I91 D92 G98	N82-L94 HydrophobicContact CB-CD1 4.2Å; V85-L94 HydrophobicContact CG2-CD1 4.25Å; V90-L94 HydrophobicContact CG1-CD1 4.16Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CB 3.5Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 3.26Å; I91-L94 PolarHBondContact O-N 2.97Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.4Å; L94-G98 PolarHBondContact O-N 3.49Å
95	V	93.2	Very high	91.8	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-44.4	175.3	170.7	0	0	0	0	111.2	R43 V44 L47 I91 D92 M93 G98 K99	R43-V95 HydrophobicContact CB-CG1 4.22Å; V44-V95 HydrophobicContact CB-CG2 4.47Å; V44-V95 HydrophobicContact CG2-CG2 3.48Å; V44-V95 VanDerWaalsContact CG2-CG2 3.48Å; L47-V95 HydrophobicContact CD2-CG1 4.32Å; I91-V95 HydrophobicContact CG2-CG2 4.43Å; I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 2.93Å; D92-V95 PolarHBondContact O-N 3.5Å; M93-V95 VanDerWaalsContact C-N 3.32Å; M93-V95 PolarHBondContact O-N 3.04Å; V95-G98 PolarHBondContact O-N 3.29Å; V95-K99 HydrophobicContact CG1-CD 4.48Å; V95-K99 WeakPolarHBondContact O-CG 3.48Å; V95-K99 PolarHBondContact O-N 3.01Å
96	I	93.6	Very high	91.9	Very high	55 Å²	55	63.3 Å²	63.3	28%	0.282	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-48.3	177.9	-68.1	163.7	0	0	0	110.1	I32 L33 D92 M93 G98 K99 M100	I32-I96 HydrophobicContact CG2-CD1 4.34Å; L33-I96 HydrophobicContact CD1-CD1 4.27Å; D92-I96 VanDerWaalsContact O-CG1 3.28Å; D92-I96 WeakPolarHBondContact O-CG1 3.45Å; D92-I96 PolarHBondContact O-N 3.22Å; M93-I96 PolarHBondContact O-N 3.43Å; I96-G98 VanDerWaalsContact C-N 3.33Å; I96-G98 PolarHBondContact O-N 3.47Å; I96-K99 PolarHBondContact O-N 3.33Å; I96-K99 VanDerWaalsContact O-N 3.15Å; I96-M100 HydrophobicContact CG2-CE 3.75Å; I96-M100 HydrophobicContact CG2-SD 4.06Å; I96-M100 WeakPolarHBondContact O-CG 3.4Å; I96-M100 PolarHBondContact O-N 3.48Å
97	K	93.8	Very high	92.2	Very high	132 Å²	132	62.2 Å²	62.2	57%	0.574	30%	0.304	S	S	*	.	H	α-helix	trans	-57.4	-45.7	175.2	-74.2	-178.9	177.2	-173.5	0	111.6	M93 K99 M100 E101	M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 WeakPolarHBondContact O-CG 3.43Å; M93-K97 PolarHBondContact O-N 3.19Å; K97-K99 VanDerWaalsContact C-N 3.29Å; K97-K99 PolarHBondContact O-N 2.91Å; K97-M100 WeakPolarHBondContact O-CB 3.48Å; K97-M100 PolarHBondContact O-N 3.11Å; K97-E101 WeakPolarHBondContact O-CB 3.44Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.27Å
98	G	94.1	Very high	92.3	Very high	17 Å²	17	62.8 Å²	62.8	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-29.7	178.2	0	0	0	0	0	114	W51 L94 V95 I96 L102	W51-G98 PolarHBondContact NE1-O 2.89Å; L94-G98 PolarHBondContact O-N 3.49Å; V95-G98 PolarHBondContact O-N 3.29Å; I96-G98 VanDerWaalsContact C-N 3.33Å; I96-G98 PolarHBondContact O-N 3.47Å; G98-L102 WeakPolarHBondContact O-CB 3.41Å; G98-L102 PolarHBondContact O-N 3.3Å; G98-L102 VanDerWaalsContact O-N 3.15Å
99	K	94.9	Very high	92.6	Very high	93 Å²	93	68.9 Å²	68.9	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-72	-41.3	171.9	-76.5	-176.1	175.8	-172.8	0	112	L47 V95 I96 K97 L102 Q103	L47-K99 HydrophobicContact CD1-CG 3.8Å; V95-K99 HydrophobicContact CG1-CD 4.48Å; V95-K99 WeakPolarHBondContact O-CG 3.48Å; V95-K99 PolarHBondContact O-N 3.01Å; I96-K99 PolarHBondContact O-N 3.33Å; I96-K99 VanDerWaalsContact O-N 3.15Å; K97-K99 VanDerWaalsContact C-N 3.29Å; K97-K99 PolarHBondContact O-N 2.91Å; K99-L102 PolarHBondContact O-N 2.92Å; K99-Q103 PolarHBondContact O-N 2.91Å
100	M	95.2	Very high	92.7	Very high	103 Å²	103	65.1 Å²	65.1	51%	0.507	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-49.4	174.7	-69.9	169.9	167.3	0	0	110.5	I96 K97 L102 Q103 E104	I96-M100 HydrophobicContact CG2-CE 3.75Å; I96-M100 HydrophobicContact CG2-SD 4.06Å; I96-M100 WeakPolarHBondContact O-CG 3.4Å; I96-M100 PolarHBondContact O-N 3.48Å; K97-M100 WeakPolarHBondContact O-CB 3.48Å; K97-M100 PolarHBondContact O-N 3.11Å; M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 3.45Å; M100-Q103 PolarHBondContact O-N 2.89Å; M100-Q103 VanDerWaalsContact O-N 3.08Å; M100-E104 WeakPolarHBondContact O-CG 3.39Å; M100-E104 PolarHBondContact O-N 3.15Å
101	E	94.3	Very high	92.7	Very high	56 Å²	56	68.2 Å²	68.2	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-56	-41.2	176.5	-75.1	-73.9	130.8	0	0	112.3	W51 K97 E104 T105 K110 Y118	W51-E101 HydrophobicContact CZ2-CB 3.95Å; K97-E101 WeakPolarHBondContact O-CB 3.44Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.27Å; E101-E104 PolarHBondContact O-N 3.36Å; E101-T105 PolarHBondContact O-N 3.27Å; E101-T105 VanDerWaalsContact O-N 3.15Å; E101-T105 PolarHBondContact O-OG1 3.2Å; E101-T105 VanDerWaalsContact O-OG1 3.13Å; E101-K110 PolarHBondContact O-NZ 3.12Å; E101-K110 IonicContact OE1-NZ 3.38Å; E101-K110 PolarHBondContact OE1-NZ 3.47Å; E101-K110 IonicContact OE2-NZ 2.72Å; E101-K110 PolarHBondContact OE2-NZ 3.38Å; E101-Y118 PolarHBondContact OE2-OH 3.06Å
102	L	94	Very high	92.6	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-41.9	177.6	-178.8	64.3	0	0	0	111.7	L47 A50 W51 E54 G98 K99 M100 T105 I106	L47-L102 HydrophobicContact CD1-CD2 4.41Å; A50-L102 HydrophobicContact CB-CD2 3.66Å; W51-L102 HydrophobicContact CD2-CD1 3.84Å; W51-L102 HydrophobicContact CE3-CD1 4.03Å; W51-L102 HydrophobicContact CG-CD1 4.27Å; W51-L102 HydrophobicContact CH2-CD1 4.37Å; W51-L102 HydrophobicContact CZ2-CB 3.79Å; W51-L102 HydrophobicContact CZ2-CD1 4.21Å; W51-L102 HydrophobicContact CZ3-CD1 4.29Å; E54-L102 HydrophobicContact CB-CD1 3.88Å; E54-L102 HydrophobicContact CG-CD1 3.82Å; G98-L102 WeakPolarHBondContact O-CB 3.41Å; G98-L102 PolarHBondContact O-N 3.3Å; G98-L102 VanDerWaalsContact O-N 3.15Å; K99-L102 PolarHBondContact O-N 2.92Å; M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 3.45Å; L102-T105 PolarHBondContact O-N 2.88Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.35Å; L102-I106 HydrophobicContact CD2-CD1 4.42Å; L102-I106 HydrophobicContact CG-CD1 3.81Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.38Å; L102-I106 PolarHBondContact O-N 3.15Å
103	Q	94.9	Very high	92.6	Very high	112 Å²	112	74.7 Å²	74.7	52%	0.523	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.8	-78.3	-171.9	-43	0	0	112	K99 M100 T105 I106 Q107	K99-Q103 PolarHBondContact O-N 2.91Å; M100-Q103 PolarHBondContact O-N 2.89Å; M100-Q103 VanDerWaalsContact O-N 3.08Å; Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 PolarHBondContact O-N 3.41Å; Q103-I106 PolarHBondContact O-N 3.02Å; Q103-Q107 WeakPolarHBondContact O-CB 3.32Å; Q103-Q107 WeakPolarHBondContact O-CG 3.34Å; Q103-Q107 PolarHBondContact O-N 3Å
104	E	93.2	Very high	92.6	Very high	63 Å²	63	73.8 Å²	73.8	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-36.1	175.6	-69.8	171.6	-178.6	0	0	112.2	M100 E101 V108 W109 K110	M100-E104 WeakPolarHBondContact O-CG 3.39Å; M100-E104 PolarHBondContact O-N 3.15Å; E101-E104 PolarHBondContact O-N 3.36Å; E104-V108 PolarHBondContact O-N 3.3Å; E104-W109 HydrophobicContact CB-CB 4.48Å; E104-W109 HydrophobicContact CG-CE3 3.96Å; E104-W109 PolarHBondContact O-N 3.47Å; E104-K110 HydrophobicContact CB-CD 4.13Å; E104-K110 HydrophobicContact CB-CG 4.27Å; E104-K110 WeakPolarHBondContact OE2-CE 3.27Å; E104-K110 IonicContact OE2-NZ 2.96Å; E104-K110 PolarHBondContact OE2-NZ 2.98Å
105	T	91.8	Very high	92.3	Very high	6 Å²	6	71.9 Å²	71.9	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-71.3	-45.9	176.1	-61.1	0	0	0	0	111.9	T58 F62 E101 L102 Q103 V108	T58-T105 HydrophobicContact CG2-CG2 3.68Å; T58-T105 VanDerWaalsContact OG1-CG2 3.24Å; T58-T105 WeakPolarHBondContact OG1-CG2 3.43Å; F62-T105 HydrophobicContact CE2-CG2 4.15Å; E101-T105 PolarHBondContact O-N 3.27Å; E101-T105 VanDerWaalsContact O-N 3.15Å; E101-T105 PolarHBondContact O-OG1 3.2Å; E101-T105 VanDerWaalsContact O-OG1 3.13Å; L102-T105 PolarHBondContact O-N 2.88Å; Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 PolarHBondContact O-N 3.41Å; T105-V108 PolarHBondContact O-N 3.28Å
106	I	92.9	Very high	92.1	Very high	83 Å²	83	73.1 Å²	73.1	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-42.8	179.8	-69.1	167.5	0	0	0	111.1	E54 L102 Q103 V108	E54-I106 HydrophobicContact CG-CD1 4.43Å; E54-I106 HydrophobicContact CG-CG1 3.8Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.35Å; L102-I106 HydrophobicContact CD2-CD1 4.42Å; L102-I106 HydrophobicContact CG-CD1 3.81Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.38Å; L102-I106 PolarHBondContact O-N 3.15Å; Q103-I106 PolarHBondContact O-N 3.02Å; I106-V108 PolarHBondContact O-N 2.96Å
107	Q	93.1	Very high	91.9	Very high	96 Å²	96	80 Å²	80	45%	0.449	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	2.2	-179.3	-64.4	-171.2	57.5	0	0	113.4	Q103 W109	Q103-Q107 WeakPolarHBondContact O-CB 3.32Å; Q103-Q107 WeakPolarHBondContact O-CG 3.34Å; Q103-Q107 PolarHBondContact O-N 3Å; Q107-W109 HydrophobicContact CB-CD2 4.1Å; Q107-W109 HydrophobicContact CB-CG 4.11Å; Q107-W109 HydrophobicContact CB-CZ2 4.37Å; Q107-W109 VanDerWaalsContact CD-CZ2 3.48Å; Q107-W109 VanDerWaalsContact O-CD1 3.3Å; Q107-W109 PolarHBondContact O-N 3.33Å; Q107-W109 VanDerWaalsContact OE1-CE2 3.32Å
108	V	90.9	Very high	91.5	Very high	70 Å²	70	77.8 Å²	77.8	42%	0.424	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	36.5	179.2	-159.2	0	0	0	0	111.7	M61 F62 E104 T105 I106 K110	M61-V108 HydrophobicContact CE-CG2 4.05Å; M61-V108 HydrophobicContact CG-CG2 4.23Å; M61-V108 HydrophobicContact SD-CG2 3.63Å; F62-V108 HydrophobicContact CE1-CG1 3.72Å; F62-V108 HydrophobicContact CZ-CB 4.48Å; F62-V108 HydrophobicContact CZ-CG1 3.84Å; E104-V108 PolarHBondContact O-N 3.3Å; T105-V108 PolarHBondContact O-N 3.28Å; I106-V108 PolarHBondContact O-N 2.96Å; V108-K110 VanDerWaalsContact C-N 3.27Å
109	W	93.2	Very high	91	Very high	172 Å²	172	79 Å²	79	65%	0.652	36%	0.363	S	S	*	.			trans	-77.7	-20.9	171.9	-64.6	-7.7	0	0	0	111.4	E104 Q107	E104-W109 HydrophobicContact CB-CB 4.48Å; E104-W109 HydrophobicContact CG-CE3 3.96Å; E104-W109 PolarHBondContact O-N 3.47Å; Q107-W109 HydrophobicContact CB-CD2 4.1Å; Q107-W109 HydrophobicContact CB-CG 4.11Å; Q107-W109 HydrophobicContact CB-CZ2 4.37Å; Q107-W109 VanDerWaalsContact CD-CZ2 3.48Å; Q107-W109 VanDerWaalsContact O-CD1 3.3Å; Q107-W109 PolarHBondContact O-N 3.33Å; Q107-W109 VanDerWaalsContact OE1-CE2 3.32Å
110	K	90	Very high	90.2	Very high	21 Å²	21	79 Å²	79	9%	0.091	36%	0.364	C	S	.	.	S	Bend	trans	-86.4	154.5	172.3	-77.1	172.7	173.9	146.9	0	111.7	F62 E101 E104 V108 H114	F62-K110 WeakPolarHBondContact CE1-O 3.33Å; E101-K110 PolarHBondContact O-NZ 3.12Å; E101-K110 IonicContact OE1-NZ 3.38Å; E101-K110 PolarHBondContact OE1-NZ 3.47Å; E101-K110 IonicContact OE2-NZ 2.72Å; E101-K110 PolarHBondContact OE2-NZ 3.38Å; E104-K110 HydrophobicContact CB-CD 4.13Å; E104-K110 HydrophobicContact CB-CG 4.27Å; E104-K110 WeakPolarHBondContact OE2-CE 3.27Å; E104-K110 IonicContact OE2-NZ 2.96Å; E104-K110 PolarHBondContact OE2-NZ 2.98Å; V108-K110 VanDerWaalsContact C-N 3.27Å; K110-H114 HydrophobicContact CB-CB 4.21Å; K110-H114 HydrophobicContact CD-CB 4.48Å; K110-H114 HydrophobicContact CG-CB 4.18Å
111	Q	90.4	Very high	88.9	Confident	128 Å²	128	80.5 Å²	80.5	60%	0.598	37%	0.37	S	S	*	.			trans	-101.8	163	167.9	-59.1	175.9	-9.6	0	0	110.9	T113 H114	Q111-T113 PolarHBondContact O-N 2.93Å; Q111-T113 VanDerWaalsContact O-N 3.09Å; Q111-H114 PolarHBondContact N-ND1 3.46Å; Q111-H114 VanDerWaalsContact N-ND1 3.17Å; Q111-H114 WeakPolarHBondContact O-CB 3.34Å; Q111-H114 PolarHBondContact O-N 3.19Å; Q111-H114 PolarHBondContact O-ND1 3.41Å
112	K	88.8	Confident	87.5	Confident	76 Å²	76	83.6 Å²	83.6	33%	0.33	40%	0.398	S	S	.	.	H	α-helix	trans	-46.3	-41.4	176.2	172.6	166.4	-179.3	171.2	0	112.7	Q63 L64 D65 H114 V115 M116	Q63-K112 PolarHBondContact O-NZ 2.87Å; L64-K112 HydrophobicContact CD2-CB 4.42Å; L64-K112 HydrophobicContact CD2-CD 4.16Å; L64-K112 HydrophobicContact CD2-CG 3.72Å; D65-K112 IonicContact OD1-NZ 2.77Å; D65-K112 IonicContact OD2-NZ 3.81Å; D65-K112 PolarHBondContact OD2-NZ 3.18Å; K112-H114 VanDerWaalsContact C-N 3.32Å; K112-H114 PolarHBondContact O-N 3.35Å; K112-V115 PolarHBondContact O-N 2.94Å; K112-M116 HydrophobicContact CG-CG 4.03Å; K112-M116 WeakPolarHBondContact O-CB 3.43Å; K112-M116 WeakPolarHBondContact O-CG 3.4Å; K112-M116 PolarHBondContact O-N 3.35Å
113	T	88.6	Confident	86.3	Confident	91 Å²	91	88.6 Å²	88.6	56%	0.558	42%	0.421	S	S	*	.	H	α-helix	trans	-56.8	-40.1	177.9	52	0	0	0	0	113.5	Q111 M116 R117	Q111-T113 PolarHBondContact O-N 2.93Å; Q111-T113 VanDerWaalsContact O-N 3.09Å; T113-M116 PolarHBondContact O-N 3.27Å; T113-R117 PolarHBondContact O-N 3Å
114	H	90.1	Very high	85.1	Confident	91 Å²	91	90.5 Å²	90.5	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-68.6	-37.8	-179.5	-58.5	87.5	0	0	0	111.5	K110 Q111 K112	K110-H114 HydrophobicContact CB-CB 4.21Å; K110-H114 HydrophobicContact CD-CB 4.48Å; K110-H114 HydrophobicContact CG-CB 4.18Å; Q111-H114 PolarHBondContact N-ND1 3.46Å; Q111-H114 VanDerWaalsContact N-ND1 3.17Å; Q111-H114 WeakPolarHBondContact O-CB 3.34Å; Q111-H114 PolarHBondContact O-N 3.19Å; Q111-H114 PolarHBondContact O-ND1 3.41Å; K112-H114 VanDerWaalsContact C-N 3.32Å; K112-H114 PolarHBondContact O-N 3.35Å
115	V	88.2	Confident	84	Confident	18 Å²	18	93 Å²	93	11%	0.109	45%	0.451	C	S	.	.	H	α-helix	trans	-72.2	-43.9	176.6	-176.3	0	0	0	0	110.5	T58 F62 L64 K112 R117 Y118	T58-V115 HydrophobicContact CG2-CG1 4.43Å; F62-V115 HydrophobicContact CD2-CG2 4.45Å; F62-V115 HydrophobicContact CE2-CG2 4.48Å; L64-V115 HydrophobicContact CD1-CG1 3.76Å; K112-V115 PolarHBondContact O-N 2.94Å; V115-R117 PolarHBondContact O-N 2.97Å; V115-Y118 WeakPolarHBondContact O-CD2 3.32Å; V115-Y118 PolarHBondContact O-N 2.94Å
116	M	88.3	Confident	83.1	Confident	35 Å²	35	103.6 Å²	103.6	17%	0.172	49%	0.491	C	S	.	.	H	α-helix	trans	-64.7	-26.3	178.9	-69.6	-55.5	-65.2	0	0	113	L64 I66 K112 T113 Y118 F119 E121	L64-M116 HydrophobicContact CD2-CG 4.29Å; L64-M116 HydrophobicContact CD2-SD 4.06Å; I66-M116 HydrophobicContact CG2-CE 4.32Å; I66-M116 HydrophobicContact CG2-SD 4.45Å; K112-M116 HydrophobicContact CG-CG 4.03Å; K112-M116 WeakPolarHBondContact O-CB 3.43Å; K112-M116 WeakPolarHBondContact O-CG 3.4Å; K112-M116 PolarHBondContact O-N 3.35Å; T113-M116 PolarHBondContact O-N 3.27Å; M116-Y118 PolarHBondContact O-N 2.8Å; M116-Y118 VanDerWaalsContact O-N 3.14Å; M116-F119 PolarHBondContact O-N 2.58Å; M116-F119 HydrophobicContact SD-CD2 4.45Å; M116-E121 VanDerWaalsContact CE-OE2 3.31Å; M116-E121 WeakPolarHBondContact CE-OE2 3.49Å
117	R	88.6	Confident	82.1	Confident	198 Å²	198	100.3 Å²	100.3	75%	0.747	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30.1	175.9	-160.9	174.5	-158.1	176.6	7.1	113.1	T113 V115 F119 H120	T113-R117 PolarHBondContact O-N 3Å; V115-R117 PolarHBondContact O-N 2.97Å; R117-F119 PolarHBondContact O-N 3.26Å; R117-H120 PolarHBondContact O-CE1 3.01Å; R117-H120 PolarHBondContact O-N 2.83Å; R117-H120 PolarHBondContact O-ND1 2.91Å
118	Y	85.9	Confident	81.2	Confident	87 Å²	87	100.1 Å²	100.1	34%	0.341	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26.9	176.9	-70.7	-70	0	0	0	112.9	K74 M78 E101 V115 M116 H120	K74-Y118 WeakPolarHBondContact CE-O 3.28Å; K74-Y118 PolarHBondContact NZ-O 3.06Å; M78-Y118 HydrophobicContact CE-CD1 4.02Å; M78-Y118 HydrophobicContact CE-CE1 4.06Å; E101-Y118 PolarHBondContact OE2-OH 3.06Å; V115-Y118 WeakPolarHBondContact O-CD2 3.32Å; V115-Y118 PolarHBondContact O-N 2.94Å; M116-Y118 PolarHBondContact O-N 2.8Å; M116-Y118 VanDerWaalsContact O-N 3.14Å; Y118-H120 PolarHBondContact O-CE1 3.3Å; Y118-H120 PolarHBondContact O-ND1 3.49Å
119	F	83.8	Confident	80.7	Confident	43 Å²	43	101.2 Å²	101.2	19%	0.189	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-83.6	-14.8	-175.8	-64.8	-90.6	0	0	0	113.5	I66 K74 M116 R117 E121	I66-F119 HydrophobicContact CD1-CE1 3.84Å; I66-F119 HydrophobicContact CD1-CE2 3.66Å; I66-F119 HydrophobicContact CD1-CZ 3.24Å; K74-F119 HydrophobicContact CB-CD1 4.5Å; K74-F119 HydrophobicContact CB-CE1 3.71Å; K74-F119 HydrophobicContact CB-CZ 4Å; K74-F119 HydrophobicContact CG-CD1 4.25Å; K74-F119 HydrophobicContact CG-CE1 3.84Å; K74-F119 HydrophobicContact CG-CZ 4.05Å; M116-F119 PolarHBondContact O-N 2.58Å; M116-F119 HydrophobicContact SD-CD2 4.45Å; R117-F119 PolarHBondContact O-N 3.26Å; F119-E121 HydrophobicContact CB-CG 3.88Å; F119-E121 PolarHBondContact O-N 3.34Å; F119-E121 VanDerWaalsContact O-N 3.07Å
120	H	77.1	Confident	80.1	Confident	92 Å²	92	100.5 Å²	100.5	43%	0.426	50%	0.496	S	S	.	.			trans	47.1	33.1	177.3	-56.3	77	0	0	0	113.9	R117 Y118 S122 E123	R117-H120 PolarHBondContact O-CE1 3.01Å; R117-H120 PolarHBondContact O-N 2.83Å; R117-H120 PolarHBondContact O-ND1 2.91Å; Y118-H120 PolarHBondContact O-CE1 3.3Å; Y118-H120 PolarHBondContact O-ND1 3.49Å; H120-S122 PolarHBondContact O-N 3.5Å; H120-E123 HydrophobicContact CB-CB 4.43Å; H120-E123 IonicContact CD2-OE1 3.39Å; H120-E123 IonicContact CD2-OE2 2.62Å; H120-E123 PolarHBondContact CD2-OE2 3.33Å; H120-E123 PolarHBondContact O-N 3.2Å; H120-E123 VanDerWaalsContact O-N 3.15Å
121	E	68.9	Low	79.8	Confident	135 Å²	135	103.4 Å²	103.4	63%	0.631	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.8	-172.2	-66.7	175.4	176.6	0	0	113.4	M116 F119	M116-E121 VanDerWaalsContact CE-OE2 3.31Å; M116-E121 WeakPolarHBondContact CE-OE2 3.49Å; F119-E121 HydrophobicContact CB-CG 3.88Å; F119-E121 PolarHBondContact O-N 3.34Å; F119-E121 VanDerWaalsContact O-N 3.07Å
122	S	64	Low	79.3	Confident	121 Å²	121	99.9 Å²	99.9	85%	0.846	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.9	-179.6	62.3	0	0	0	0	114.3	H120	H120-S122 PolarHBondContact O-N 3.5Å
123	E	70.1	Confident	78.9	Confident	122 Å²	122	100.8 Å²	100.8	57%	0.57	51%	0.505	S	S	*	.	S	Bend	trans	-91.5	125.5	-179	-67.6	-174.6	-172.3	0	0	109.9	H120	H120-E123 HydrophobicContact CB-CB 4.43Å; H120-E123 IonicContact CD2-OE1 3.39Å; H120-E123 IonicContact CD2-OE2 2.62Å; H120-E123 PolarHBondContact CD2-OE2 3.33Å; H120-E123 PolarHBondContact O-N 3.2Å; H120-E123 VanDerWaalsContact O-N 3.15Å
124	E	69.1	Low	78.5	Confident	153 Å²	153	102.8 Å²	102.8	72%	0.715	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-58.7	132.1	172	-76.1	-167.2	177.4	0	0	109.8	R126 K136	E124-R126 PolarHBondContact O-N 3.06Å; E124-R126 VanDerWaalsContact O-N 3.1Å; E124-K136 IonicContact OE2-NZ 2.87Å; E124-K136 PolarHBondContact OE2-NZ 2.88Å
125	P	71.1	Confident	78.2	Confident	115 Å²	115	107 Å²	107	75%	0.747	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.4	125.1	176.8	23.3	-31.7	0	0	0	108.8	A127	P125-A127 PolarHBondContact O-N 2.69Å
126	R	71.4	Confident	77.7	Confident	229 Å²	229	111.4 Å²	111.4	86%	0.864	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.3	129.7	176.7	-169.2	177.4	-64.9	-170.5	0.6	107.9	E124 A128	E124-R126 PolarHBondContact O-N 3.06Å; E124-R126 VanDerWaalsContact O-N 3.1Å; R126-A128 PolarHBondContact O-N 2.99Å; R126-A128 VanDerWaalsContact O-N 3.09Å
127	A	73.4	Confident	77.3	Confident	14 Å²	14	111.3 Å²	111.3	12%	0.116	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-53.6	118.9	175.7	0	0	0	0	0	109.4	P125 S132 K133 K136	P125-A127 PolarHBondContact O-N 2.69Å; A127-S132 VanDerWaalsContact CB-CB 3.46Å; A127-K133 HydrophobicContact CB-CG 3.95Å; A127-K133 WeakPolarHBondContact O-CE 3.43Å; A127-K133 VanDerWaalsContact O-CG 3.3Å; A127-K133 WeakPolarHBondContact O-CG 3.46Å; A127-K136 HydrophobicContact CB-CD 4.24Å
128	A	72.4	Confident	76.2	Confident	91 Å²	91	111.3 Å²	111.3	75%	0.752	55%	0.554	S	S	*	*			trans	-78.7	-37.3	177.1	0	0	0	0	0	110.9	R126 K133	R126-A128 PolarHBondContact O-N 2.99Å; R126-A128 VanDerWaalsContact O-N 3.09Å; A128-K133 WeakPolarHBondContact O-CE 3.46Å; A128-K133 PolarHBondContact O-NZ 3.47Å
129	D	81.2	Confident	75.1	Confident	93 Å²	93	113.3 Å²	113.3	50%	0.497	57%	0.571	S	S	.	*	S	Bend	trans	-78.2	144.1	-176.3	-177.7	32.9	0	0	0	112.7	L131 S132 K133	D129-L131 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.07Å; D129-L131 WeakPolarHBondContact OD2-CB 3.32Å; D129-S132 PolarHBondContact O-N 3.29Å; D129-K133 WeakPolarHBondContact O-CG 3.44Å; D129-K133 PolarHBondContact O-N 2.65Å
130	F	81.6	Confident	74.2	Confident	158 Å²	158	120.6 Å²	120.6	69%	0.693	62%	0.622	S	S	*	*	H	α-helix	trans	-57.2	-44.9	178.9	174	-97.7	0	0	0	111.6	S132 K133 F134	F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 3.26Å; F130-K133 WeakPolarHBondContact O-CB 3.41Å; F130-K133 PolarHBondContact O-N 2.8Å; F130-F134 WeakPolarHBondContact O-CB 3.26Å; F130-F134 PolarHBondContact O-N 2.87Å
131	L	82.8	Confident	74.1	Confident	81 Å²	81	122.1 Å²	122.1	42%	0.424	63%	0.632	S	S	.	*	H	α-helix	trans	-66.2	-40.5	-178	-175.1	61.3	0	0	0	111.5	D129 F134 Y135	D129-L131 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.07Å; D129-L131 WeakPolarHBondContact OD2-CB 3.32Å; L131-F134 WeakPolarHBondContact O-CB 3.14Å; L131-F134 PolarHBondContact O-N 2.72Å; L131-Y135 HydrophobicContact CD1-CD2 4.2Å; L131-Y135 HydrophobicContact CD1-CE2 3.55Å; L131-Y135 HydrophobicContact CD2-CE2 3.91Å; L131-Y135 HydrophobicContact CG-CD2 3.94Å; L131-Y135 HydrophobicContact CG-CE2 3.41Å; L131-Y135 VanDerWaalsContact CG-CE2 3.41Å; L131-Y135 WeakPolarHBondContact O-CD2 3.41Å; L131-Y135 PolarHBondContact O-N 2.94Å
132	S	80.1	Confident	74.3	Confident	54 Å²	54	121.4 Å²	121.4	38%	0.378	63%	0.632	S	S	.	*	H	α-helix	trans	-68.5	-33.6	176.1	-63.6	0	0	0	0	112.4	A127 D129 F130 K136	A127-S132 VanDerWaalsContact CB-CB 3.46Å; D129-S132 PolarHBondContact O-N 3.29Å; F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 3.26Å; S132-K136 WeakPolarHBondContact O-CG 3.48Å; S132-K136 PolarHBondContact O-N 2.77Å
133	K	79.9	Confident	74.9	Confident	95 Å²	95	121.4 Å²	121.4	41%	0.413	62%	0.62	S	S	.	*	H	α-helix	trans	-67.4	-44.1	171.1	-71.9	172.5	-175.9	176.8	0	111.4	A127 A128 D129 F130 Y135 K136 G137	A127-K133 HydrophobicContact CB-CG 3.95Å; A127-K133 WeakPolarHBondContact O-CE 3.43Å; A127-K133 VanDerWaalsContact O-CG 3.3Å; A127-K133 WeakPolarHBondContact O-CG 3.46Å; A128-K133 WeakPolarHBondContact O-CE 3.46Å; A128-K133 PolarHBondContact O-NZ 3.47Å; D129-K133 WeakPolarHBondContact O-CG 3.44Å; D129-K133 PolarHBondContact O-N 2.65Å; F130-K133 WeakPolarHBondContact O-CB 3.41Å; F130-K133 PolarHBondContact O-N 2.8Å; K133-Y135 PolarHBondContact O-N 2.91Å; K133-K136 PolarHBondContact O-N 2.84Å; K133-K136 VanDerWaalsContact O-N 3.14Å; K133-G137 PolarHBondContact O-N 3.23Å; K133-G137 VanDerWaalsContact O-O 3.08Å
134	F	81.3	Confident	75.2	Confident	134 Å²	134	121.4 Å²	121.4	59%	0.588	62%	0.623	S	S	*	*	H	α-helix	trans	-58.7	-46.2	177.6	179.8	-99.2	0	0	0	111.7	F130 L131 K136 G137	F130-F134 WeakPolarHBondContact O-CB 3.26Å; F130-F134 PolarHBondContact O-N 2.87Å; L131-F134 WeakPolarHBondContact O-CB 3.14Å; L131-F134 PolarHBondContact O-N 2.72Å; F134-K136 VanDerWaalsContact C-N 3.32Å; F134-K136 PolarHBondContact O-N 3.02Å; F134-G137 PolarHBondContact O-N 2.9Å; F134-G137 VanDerWaalsContact O-N 3.16Å
135	Y	82.3	Confident	75.6	Confident	178 Å²	178	119.4 Å²	119.4	70%	0.698	62%	0.618	S	S	*	*	H	α-helix	trans	-66.2	-30	175.8	-69.6	-48.7	0	0	0	113.8	L131 K133 G137	L131-Y135 HydrophobicContact CD1-CD2 4.2Å; L131-Y135 HydrophobicContact CD1-CE2 3.55Å; L131-Y135 HydrophobicContact CD2-CE2 3.91Å; L131-Y135 HydrophobicContact CG-CD2 3.94Å; L131-Y135 HydrophobicContact CG-CE2 3.41Å; L131-Y135 VanDerWaalsContact CG-CE2 3.41Å; L131-Y135 WeakPolarHBondContact O-CD2 3.41Å; L131-Y135 PolarHBondContact O-N 2.94Å; K133-Y135 PolarHBondContact O-N 2.91Å; Y135-G137 PolarHBondContact O-N 3.35Å
136	K	79.5	Confident	75.9	Confident	111 Å²	111	119.7 Å²	119.7	48%	0.483	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-4.5	174.9	-75.4	-169.2	173.8	-156	0	113.6	E124 A127 S132 K133 F134	E124-K136 IonicContact OE2-NZ 2.87Å; E124-K136 PolarHBondContact OE2-NZ 2.88Å; A127-K136 HydrophobicContact CB-CD 4.24Å; S132-K136 WeakPolarHBondContact O-CG 3.48Å; S132-K136 PolarHBondContact O-N 2.77Å; K133-K136 PolarHBondContact O-N 2.84Å; K133-K136 VanDerWaalsContact O-N 3.14Å; F134-K136 VanDerWaalsContact C-N 3.32Å; F134-K136 PolarHBondContact O-N 3.02Å
137	G	79.4	Confident	76.2	Confident	34 Å²	34	111.9 Å²	111.9	35%	0.351	59%	0.591	S	S	.	*			trans	101.5	-169.9	176.2	0	0	0	0	0	114.5	K133 F134 Y135 N139	K133-G137 PolarHBondContact O-N 3.23Å; K133-G137 VanDerWaalsContact O-O 3.08Å; F134-G137 PolarHBondContact O-N 2.9Å; F134-G137 VanDerWaalsContact O-N 3.16Å; Y135-G137 PolarHBondContact O-N 3.35Å; G137-N139 PolarHBondContact O-N 3.42Å
138	H	64.2	Low	76.4	Confident	197 Å²	197	119.4 Å²	119.4	91%	0.912	63%	0.627	S	S	*	*			trans	-78.7	81.9	-176	-83.8	73.3	0	0	0	112.1
139	N	64.1	Low	76.8	Confident	129 Å²	129	121.8 Å²	121.8	69%	0.69	62%	0.617	S	S	*	*			trans	-108.3	113.4	157	-77.2	-52.1	0	0	0	107.8	G137	G137-N139 PolarHBondContact O-N 3.42Å
140	P	64.8	Low	76.3	Confident	197 Å²	197	124.4 Å²	124.4	100%	1.279	63%	0.628	S	S	*	*			trans	-64.2	0	177.9	27.4	-33.5	0	0	0	112.9

Retrieved 140 of 140 residues in 69.9 ms (Link to these results)

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