A0A096MVH9_PAPAN Loading...

Sperm microtubule inner protein 11

AlphaFold DB (A0A2K5VWQ8), UniProt , Accession A0A096MVH9, Species PAPAN (Papio anubis, Olive baboon), Gene SPMIP11, Length 131 aa.

						>A0A096MVH9_PAPAN|A0A096MVH9|SPMIP11
MAFFNLYLLGYQNSFRSKKRNATEETNQKESEPTRLPPIISKDGNYSVHQNSHTRYHEAVRKVLLKTFPNQVFRIPLTDAQNFSFWQSHDPGVRPEETMPWIRSPRHCLIKSAMTRFMDHSILNDRTFSLY
					

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(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	40.1	Very low	54.8	Low	239 Å²	239	149 Å²	149	100%	1.177	74%	0.744	S	S	*	*				0	109.4	0	-74	-66.1	178.7	0	0	107.4
2	A	47.3	Very low	55.9	Low	73 Å²	73	147.5 Å²	147.5	60%	0.603	73%	0.733	S	S	*	*			trans	-105.9	126.1	-171.5	0	0	0	0	0	111	F4	A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 HydrophobicContact CB-CD2 3.4Å; A2-F4 HydrophobicContact CB-CE2 3.19Å; A2-F4 HydrophobicContact CB-CZ 4.14Å; A2-F4 PolarHBondContact O-N 3.05Å
3	F	50.6	Low	57.1	Low	184 Å²	184	142.3 Å²	142.3	81%	0.807	71%	0.71	S	S	*	*			trans	-79.1	73.3	177.9	-68.7	-89.5	0	0	0	110.4
4	F	57	Low	58.3	Low	173 Å²	173	137.3 Å²	137.3	76%	0.759	70%	0.695	S	S	*	*			trans	-101.1	109.9	173.6	-65.8	-66.4	0	0	0	109.4	A2	A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 HydrophobicContact CB-CD2 3.4Å; A2-F4 HydrophobicContact CB-CE2 3.19Å; A2-F4 HydrophobicContact CB-CZ 4.14Å; A2-F4 PolarHBondContact O-N 3.05Å
5	N	50.8	Low	59.6	Low	110 Å²	110	134.8 Å²	134.8	59%	0.588	68%	0.678	S	S	*	*			trans	145.1	6.8	154.9	-76.1	-29.5	0	0	0	116	Y7 L8	N5-Y7 VanDerWaalsContact C-N 3.25Å; N5-Y7 PolarHBondContact O-N 3.34Å; N5-L8 PolarHBondContact O-N 3.45Å; N5-L8 WeakPolarHBondContact OD1-CD1 3.34Å
6	L	56.5	Low	60.7	Low	134 Å²	134	139.1 Å²	139.1	70%	0.702	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-66.1	-27.8	174.5	-78.2	168.1	0	0	0	113.2
7	Y	53.8	Low	61.9	Low	211 Å²	211	136.8 Å²	136.8	83%	0.827	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-83.6	-12.1	-177	-44.9	-73.6	0	0	0	114	N5 L9	N5-Y7 VanDerWaalsContact C-N 3.25Å; N5-Y7 PolarHBondContact O-N 3.34Å; Y7-L9 VanDerWaalsContact C-N 3.34Å
8	L	56.3	Low	63	Low	139 Å²	139	133.5 Å²	133.5	73%	0.728	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-84.7	-7.2	-176.3	-111.7	139	0	0	0	113.5	N5 G10	N5-L8 PolarHBondContact O-N 3.45Å; N5-L8 WeakPolarHBondContact OD1-CD1 3.34Å; L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 3.45Å
9	L	59.8	Low	64.1	Low	118 Å²	118	130.2 Å²	130.2	62%	0.618	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-85.5	2	-177.6	-129.9	87.4	0	0	0	114.6	Y7 Q12	Y7-L9 VanDerWaalsContact C-N 3.34Å; L9-Q12 HydrophobicContact CB-CG 4.33Å; L9-Q12 HydrophobicContact CD2-CG 3.96Å
10	G	65.6	Low	64.8	Low	57 Å²	57	129.6 Å²	129.6	59%	0.588	64%	0.636	S	S	*	*			trans	63.6	-170.5	-175.5	0	0	0	0	0	113.1	L8 Q12	L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 3.45Å; G10-Q12 PolarHBondContact O-N 2.99Å
11	Y	65.3	Low	65	Low	201 Å²	201	128 Å²	128	79%	0.788	63%	0.63	S	S	*	*			trans	-67	102.8	178	-179	-101.5	0	0	0	110.7	N13	Y11-N13 HydrophobicContact CD1-CB 4.17Å; Y11-N13 HydrophobicContact CE1-CB 3.86Å; Y11-N13 PolarHBondContact O-N 3.25Å
12	Q	68	Low	65.9	Low	131 Å²	131	121 Å²	121	61%	0.612	61%	0.611	S	S	*	*			trans	-77.4	102	175.4	-68.1	-175	-54.7	0	0	110.1	L9 G10 S14	L9-Q12 HydrophobicContact CB-CG 4.33Å; L9-Q12 HydrophobicContact CD2-CG 3.96Å; G10-Q12 PolarHBondContact O-N 2.99Å; Q12-S14 PolarHBondContact O-N 3.1Å; Q12-S14 VanDerWaalsContact O-N 3.07Å
13	N	71.6	Confident	66	Low	80 Å²	80	122.3 Å²	122.3	43%	0.428	61%	0.611	S	S	.	*			trans	-81.5	87.9	175	-155	-15.3	0	0	0	110	Y11 F15 R16	Y11-N13 HydrophobicContact CD1-CB 4.17Å; Y11-N13 HydrophobicContact CE1-CB 3.86Å; Y11-N13 PolarHBondContact O-N 3.25Å; N13-F15 PolarHBondContact O-N 3.07Å; N13-F15 VanDerWaalsContact O-N 3.1Å; N13-R16 HydrophobicContact CB-CB 4.29Å; N13-R16 VanDerWaalsContact O-CB 3.27Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 2.97Å
14	S	74.3	Confident	65.8	Low	72 Å²	72	119.5 Å²	119.5	50%	0.503	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.1	-23.9	-174.5	63.3	0	0	0	0	114.2	Q12 S17	Q12-S14 PolarHBondContact O-N 3.1Å; Q12-S14 VanDerWaalsContact O-N 3.07Å; S14-S17 PolarHBondContact O-OG 3.42Å
15	F	76.7	Confident	65.2	Low	100 Å²	100	120 Å²	120	44%	0.439	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-17.7	177.9	-58.2	-54.7	0	0	0	113.6	N13 S17 K18 K19 F73 L77	N13-F15 PolarHBondContact O-N 3.07Å; N13-F15 VanDerWaalsContact O-N 3.1Å; F15-S17 VanDerWaalsContact C-N 3.35Å; F15-S17 PolarHBondContact O-N 3.19Å; F15-K18 PolarHBondContact O-N 3.25Å; F15-K19 PolarHBondContact O-N 3.19Å; F15-F73 HydrophobicContact CB-CE1 4.44Å; F15-L77 HydrophobicContact CB-CD1 4.5Å; F15-L77 HydrophobicContact CD1-CD1 3.53Å; F15-L77 HydrophobicContact CD1-CD2 3.68Å; F15-L77 HydrophobicContact CD1-CG 4.12Å; F15-L77 HydrophobicContact CE1-CB 4.33Å; F15-L77 HydrophobicContact CE1-CD1 3.92Å; F15-L77 HydrophobicContact CE1-CD2 4.12Å; F15-L77 HydrophobicContact CE1-CG 4.36Å; F15-L77 HydrophobicContact CG-CD1 4.12Å
16	R	78.3	Confident	64.7	Low	203 Å²	203	119.7 Å²	119.7	77%	0.766	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-39.2	-176.9	-171.9	176.8	-179.8	-178.7	-0.3	112	N13 K18 K19	N13-R16 HydrophobicContact CB-CB 4.29Å; N13-R16 VanDerWaalsContact O-CB 3.27Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 2.97Å; R16-K18 VanDerWaalsContact C-N 3.26Å; R16-K18 PolarHBondContact O-N 3.42Å; R16-K19 PolarHBondContact O-N 3.44Å
17	S	79.8	Confident	63.9	Low	100 Å²	100	119.5 Å²	119.5	70%	0.699	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-24.8	177.8	58.5	0	0	0	0	113.1	S14 F15	S14-S17 PolarHBondContact O-OG 3.42Å; F15-S17 VanDerWaalsContact C-N 3.35Å; F15-S17 PolarHBondContact O-N 3.19Å
18	K	82.8	Confident	63.5	Low	78 Å²	78	118.2 Å²	118.2	34%	0.339	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-10.1	-179	-59.8	-177.8	-179.7	-175.5	0	113	F15 R16 F73 R74 L77	F15-K18 PolarHBondContact O-N 3.25Å; R16-K18 VanDerWaalsContact C-N 3.26Å; R16-K18 PolarHBondContact O-N 3.42Å; K18-F73 CarbonylContact O-C 3.59Å; K18-F73 WeakPolarHBondContact O-CA 3.26Å; K18-R74 PolarHBondContact O-N 3.07Å; K18-L77 HydrophobicContact CB-CD2 4.04Å; K18-L77 HydrophobicContact CD-CD2 3.43Å; K18-L77 VanDerWaalsContact CD-CD2 3.43Å; K18-L77 HydrophobicContact CG-CD2 4.38Å
19	K	83.9	Confident	62.7	Low	70 Å²	70	120.9 Å²	120.9	30%	0.304	61%	0.614	S	S	.	*	B	Isolated β-bridge	trans	-70.1	140.2	178.6	-163.6	178.1	177	-179.5	0	109.8	F15 R16 N21 Y46 V72 F73	F15-K19 PolarHBondContact O-N 3.19Å; R16-K19 PolarHBondContact O-N 3.44Å; K19-N21 PolarHBondContact O-N 3.32Å; K19-Y46 PolarHBondContact NZ-OH 2.76Å; K19-V72 WeakPolarHBondContact CA-O 3.45Å; K19-V72 HydrophobicContact CG-CG1 4.4Å; K19-V72 VanDerWaalsContact CG-O 3.32Å; K19-V72 WeakPolarHBondContact CG-O 3.5Å; K19-F73 HydrophobicContact CB-CD1 4.39Å; K19-F73 HydrophobicContact CB-CE1 4.47Å
20	R	78.3	Confident	61.7	Low	119 Å²	119	123.9 Å²	123.9	45%	0.449	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-66.9	130.2	170.3	-75.6	-179.7	-175.9	-153.8	-1.6	108.8	N70 V72 F73 R74	R20-N70 PolarHBondContact NE-O 3.05Å; R20-N70 PolarHBondContact NH2-O 2.84Å; R20-V72 PolarHBondContact N-O 3.18Å; R20-F73 PolarHBondContact NE-O 2.98Å; R20-F73 VanDerWaalsContact NE-O 3.08Å; R20-R74 HydrophobicContact CB-CG 4.4Å; R20-R74 HydrophobicContact CG-CB 4.4Å; R20-R74 HydrophobicContact CG-CG 3.52Å
21	N	68.2	Low	61.1	Low	96 Å²	96	126.4 Å²	126.4	51%	0.513	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-80.5	125.7	169.7	-65	-33.2	0	0	0	107.4	K19 T23	K19-N21 PolarHBondContact O-N 3.32Å; N21-T23 PolarHBondContact O-N 2.77Å
22	A	58.5	Low	60.2	Low	93 Å²	93	125.3 Å²	125.3	77%	0.769	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-60.8	-11.4	176.7	0	0	0	0	0	113.3	E24	A22-E24 PolarHBondContact O-N 2.67Å
23	T	50.2	Low	59.4	Low	100 Å²	100	123.4 Å²	123.4	61%	0.613	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-76.2	-17.5	-173.1	-40.4	0	0	0	0	114.3	N21 E25	N21-T23 PolarHBondContact O-N 2.77Å; T23-E25 PolarHBondContact O-N 3.36Å
24	E	46.8	Very low	58.4	Low	125 Å²	125	126.7 Å²	126.7	58%	0.584	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-77.9	-14.9	-173	-75.2	177.8	179.1	0	0	114.5	A22 R74	A22-E24 PolarHBondContact O-N 2.67Å; E24-R74 IonicContact OE1-CZ 2.71Å; E24-R74 IonicContact OE1-NH1 3.83Å; E24-R74 IonicContact OE1-NH2 2.67Å; E24-R74 PolarHBondContact OE1-NH2 3.27Å; E24-R74 IonicContact OE2-CZ 3.24Å; E24-R74 IonicContact OE2-NH2 2.77Å; E24-R74 PolarHBondContact OE2-NH2 2.79Å
25	E	45	Very low	57.8	Low	183 Å²	183	134.4 Å²	134.4	86%	0.855	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-101.2	1.9	178.9	-65.3	-168.5	-177.1	0	0	114.3	T23	T23-E25 PolarHBondContact O-N 3.36Å
26	T	38.8	Very low	56.9	Low	103 Å²	103	137.4 Å²	137.4	63%	0.632	70%	0.696	S	S	*	*			trans	-127.9	38.9	-176.1	-27.7	0	0	0	0	112.9	Q28	T26-Q28 PolarHBondContact O-N 3.45Å
27	N	40.8	Very low	55.9	Low	131 Å²	131	132.8 Å²	132.8	70%	0.701	69%	0.692	S	S	*	*			trans	-82.6	55.4	171.7	-79	-42	0	0	0	111.9
28	Q	44.8	Very low	54.8	Low	183 Å²	183	133.3 Å²	133.3	86%	0.855	69%	0.694	S	S	*	*			trans	-163.1	75	153.5	-68.1	-159.3	1.1	0	0	110.2	T26	T26-Q28 PolarHBondContact O-N 3.45Å
29	K	40.1	Very low	53.5	Low	195 Å²	195	137.6 Å²	137.6	85%	0.848	72%	0.718	S	S	*	*	S	Bend	trans	-161	139.9	141.6	-121.3	170.8	-179.2	175.8	0	112.5
30	E	38.2	Very low	51.9	Low	181 Å²	181	140.5 Å²	140.5	85%	0.846	74%	0.736	S	S	*	*			trans	-44.9	153.5	-164.3	-76.1	159.5	136.2	0	0	118.5
31	S	53.2	Low	50.8	Low	111 Å²	111	137.2 Å²	137.2	78%	0.776	73%	0.731	S	S	*	*			trans	-59.3	137.8	171.3	47.5	0	0	0	0	114.7
32	E	46	Very low	50.1	Low	177 Å²	177	142.3 Å²	142.3	83%	0.827	75%	0.749	S	S	*	*			trans	136.9	156.3	139.6	-74.9	-134	164.8	0	0	114
33	P	51.8	Low	49.9	Very low	92 Å²	92	145.1 Å²	145.1	60%	0.597	75%	0.751	S	S	*	*			cis	-128.8	160.7	-31.9	33	-15.4	0	0	0	113.6	R35	P33-R35 PolarHBondContact O-N 3.21Å
34	T	50	Low	50.5	Low	148 Å²	148	141.7 Å²	141.7	91%	0.908	74%	0.736	S	S	*	*			trans	23.9	52.9	150.4	-33.9	0	0	0	0	119.5
35	R	62.4	Low	51.6	Low	234 Å²	234	136.5 Å²	136.5	88%	0.883	71%	0.712	S	S	*	*			trans	-128.3	137.9	158.3	-75.1	-173	176.8	-179.3	0.4	108.4	P33	P33-R35 PolarHBondContact O-N 3.21Å
36	L	58.1	Low	52.7	Low	164 Å²	164	132.2 Å²	132.2	86%	0.859	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-48.7	134.4	171.3	-67.9	172.7	0	0	0	108
37	P	56.1	Low	54.2	Low	105 Å²	105	130.8 Å²	130.8	68%	0.682	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.9	-178.7	23.2	-32.9	0	0	0	108.2	I39	P37-I39 PolarHBondContact O-N 3.07Å; P37-I39 VanDerWaalsContact O-N 3.12Å
38	P	57.4	Low	56.1	Low	112 Å²	112	127.3 Å²	127.3	73%	0.727	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.7	176.8	19.7	-30.2	0	0	0	108.9	I40	P38-I40 PolarHBondContact O-N 3.44Å
39	I	56.2	Low	57.8	Low	167 Å²	167	119.6 Å²	119.6	86%	0.856	63%	0.63	S	S	*	*	S	Bend	trans	-60.5	-17.7	-178.5	-60.7	170	0	0	0	111.1	P37 S41	P37-I39 PolarHBondContact O-N 3.07Å; P37-I39 VanDerWaalsContact O-N 3.12Å; I39-S41 PolarHBondContact O-N 3.47Å
40	I	49.3	Very low	59.8	Low	132 Å²	132	116.7 Å²	116.7	68%	0.677	62%	0.619	S	S	*	*	S	Bend	trans	-87.7	92.4	178.3	-48.5	172.1	0	0	0	108.1	P38 K42	P38-I40 PolarHBondContact O-N 3.44Å; I40-K42 PolarHBondContact O-N 3.42Å
41	S	54.2	Low	61.8	Low	50 Å²	50	113.4 Å²	113.4	35%	0.35	61%	0.608	S	S	.	*			trans	-60	110.7	162.7	56.7	0	0	0	0	107.8	I39 D43	I39-S41 PolarHBondContact O-N 3.47Å; S41-D43 PolarHBondContact O-N 2.8Å
42	K	53.7	Low	63.4	Low	202 Å²	202	110 Å²	110	88%	0.878	58%	0.584	S	S	*	*	S	Bend	trans	-61.2	-22.2	177.1	-74.6	-177.7	177.7	178.7	0	112.3	I40	I40-K42 PolarHBondContact O-N 3.42Å
43	D	55.2	Low	65.4	Low	153 Å²	153	108.1 Å²	108.1	82%	0.818	58%	0.575	S	S	*	*	S	Bend	trans	-105.7	122.8	177.6	-103.2	-34.6	0	0	0	112.3	S41	S41-D43 PolarHBondContact O-N 2.8Å
44	G	63.4	Low	67.4	Low	28 Å²	28	108 Å²	108	29%	0.289	57%	0.573	S	S	.	*	S	Bend	trans	121.3	177.6	170.8	0	0	0	0	0	115.6	Y46 S47	G44-Y46 PolarHBondContact O-N 3.04Å; G44-Y46 VanDerWaalsContact O-N 3.07Å; G44-S47 PolarHBondContact O-OG 2.82Å
45	N	69.6	Low	69.4	Low	16 Å²	16	106.8 Å²	106.8	9%	0.086	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	-10.9	-178.7	-73.6	-9.1	0	0	0	114.4	S47 V48 H49 L65 K66 T67	N45-S47 PolarHBondContact O-N 2.87Å; N45-V48 WeakPolarHBondContact O-CB 2.94Å; N45-V48 PolarHBondContact O-N 2.95Å; N45-H49 PolarHBondContact O-CD2 3.12Å; N45-L65 HydrophobicContact CB-CD2 3.94Å; N45-L65 WeakPolarHBondContact ND2-CB 3.36Å; N45-K66 PolarHBondContact OD1-N 3.05Å; N45-T67 PolarHBondContact ND2-N 2.7Å; N45-T67 PolarHBondContact ND2-OG1 3.1Å; N45-T67 PolarHBondContact OD1-N 3.29Å
46	Y	67.8	Low	70.7	Confident	92 Å²	92	100.3 Å²	100.3	36%	0.361	53%	0.528	S	S	.	.	H	α-helix	trans	-58.4	-32.5	179.2	-85.6	-89.4	0	0	0	112.9	K19 G44 V48 Q50 N51	K19-Y46 PolarHBondContact NZ-OH 2.76Å; G44-Y46 PolarHBondContact O-N 3.04Å; G44-Y46 VanDerWaalsContact O-N 3.07Å; Y46-V48 PolarHBondContact O-N 3.16Å; Y46-Q50 VanDerWaalsContact O-CA 3.31Å; Y46-Q50 WeakPolarHBondContact O-CA 3.22Å; Y46-Q50 PolarHBondContact O-N 3.42Å; Y46-N51 VanDerWaalsContact CD1-OD1 3.23Å; Y46-N51 WeakPolarHBondContact CD1-OD1 3.36Å; Y46-N51 WeakPolarHBondContact CE1-OD1 3.38Å
47	S	70.9	Confident	72.3	Confident	73 Å²	73	96.6 Å²	96.6	51%	0.51	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-31	175.8	59.4	0	0	0	0	112.8	G44 N45	G44-S47 PolarHBondContact O-OG 2.82Å; N45-S47 PolarHBondContact O-N 2.87Å
48	V	79.6	Confident	74.1	Confident	58 Å²	58	96 Å²	96	35%	0.352	49%	0.494	S	S	.	.	H	α-helix	trans	-76.7	-47.5	-174.4	-175.6	0	0	0	0	111.4	N45 Y46 A59 L64	N45-V48 WeakPolarHBondContact O-CB 2.94Å; N45-V48 PolarHBondContact O-N 2.95Å; Y46-V48 PolarHBondContact O-N 3.16Å; V48-A59 HydrophobicContact CG1-CB 3.68Å; V48-L64 HydrophobicContact CG1-CB 4.36Å
49	H	81.6	Confident	75.7	Confident	21 Å²	21	90.8 Å²	90.8	10%	0.097	46%	0.46	C	S	.	.	H	α-helix	trans	-108.3	-15.3	-172.9	69.3	85.7	0	0	0	114.5	N45 N51 S52 R55 Y56	N45-H49 PolarHBondContact O-CD2 3.12Å; H49-N51 WeakPolarHBondContact ND1-CA 3.28Å; H49-N51 PolarHBondContact ND1-N 2.87Å; H49-N51 PolarHBondContact O-N 3.01Å; H49-S52 WeakPolarHBondContact O-CB 3.39Å; H49-S52 PolarHBondContact O-N 3.06Å; H49-R55 HydrophobicContact CB-CB 4.14Å; H49-Y56 AromaticContact CD2-CD2 3.88Å
50	Q	82.1	Confident	77.2	Confident	134 Å²	134	85.9 Å²	85.9	63%	0.626	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	40.1	177.9	-59.3	177.6	-9	0	0	113.6	Y46 S52	Y46-Q50 VanDerWaalsContact O-CA 3.31Å; Y46-Q50 WeakPolarHBondContact O-CA 3.22Å; Y46-Q50 PolarHBondContact O-N 3.42Å; Q50-S52 PolarHBondContact O-N 3.49Å
51	N	79	Confident	79.2	Confident	113 Å²	113	88.5 Å²	88.5	60%	0.604	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	11.6	-174.4	-67.1	-17.5	0	0	0	116.6	Y46 H49	Y46-N51 VanDerWaalsContact CD1-OD1 3.23Å; Y46-N51 WeakPolarHBondContact CD1-OD1 3.36Å; Y46-N51 WeakPolarHBondContact CE1-OD1 3.38Å; H49-N51 WeakPolarHBondContact ND1-CA 3.28Å; H49-N51 PolarHBondContact ND1-N 2.87Å; H49-N51 PolarHBondContact O-N 3.01Å
52	S	87.8	Confident	81.1	Confident	40 Å²	40	92.9 Å²	92.9	28%	0.28	45%	0.452	S	S	.	.			trans	-80.3	130.4	169.2	173	0	0	0	0	110.8	H49 Q50 T54 Y56	H49-S52 WeakPolarHBondContact O-CB 3.39Å; H49-S52 PolarHBondContact O-N 3.06Å; Q50-S52 PolarHBondContact O-N 3.49Å; S52-T54 PolarHBondContact OG-OG1 3.17Å; S52-T54 VanDerWaalsContact OG-OG1 3.1Å; S52-Y56 WeakPolarHBondContact O-CB 3.5Å; S52-Y56 PolarHBondContact O-N 3.46Å
53	H	87.9	Confident	82.7	Confident	137 Å²	137	89.2 Å²	89.2	63%	0.634	45%	0.446	S	S	*	.	H	α-helix	trans	-63.6	-43.9	178.3	-179.8	30.9	0	0	0	112.3	Y56 H57	H53-Y56 WeakPolarHBondContact O-CB 3.49Å; H53-Y56 PolarHBondContact O-N 2.92Å; H53-H57 AromaticContact CE1-CD2 3.2Å; H53-H57 PolarHBondContact CE1-CD2 3.24Å; H53-H57 AromaticContact CE1-NE2 2.91Å; H53-H57 PolarHBondContact CE1-NE2 2.99Å; H53-H57 AromaticContact ND1-CD2 3.23Å; H53-H57 PolarHBondContact ND1-CD2 3.18Å; H53-H57 AromaticContact ND1-NE2 3.34Å; H53-H57 PolarHBondContact ND1-NE2 3.31Å; H53-H57 AromaticContact NE2-NE2 3.95Å; H53-H57 PolarHBondContact O-CD2 3.02Å; H53-H57 VanDerWaalsContact O-CD2 3.31Å; H53-H57 PolarHBondContact O-N 3.26Å; H53-H57 VanDerWaalsContact O-N 3.13Å
54	T	93.5	Very high	84.1	Confident	90 Å²	90	86.1 Å²	86.1	55%	0.552	43%	0.429	S	S	*	.	H	α-helix	trans	-65.7	-47.4	-178.7	53.1	0	0	0	0	111.3	S52 Y56 H57 E58	S52-T54 PolarHBondContact OG-OG1 3.17Å; S52-T54 VanDerWaalsContact OG-OG1 3.1Å; T54-Y56 VanDerWaalsContact C-N 3.29Å; T54-Y56 PolarHBondContact O-N 3.04Å; T54-H57 PolarHBondContact O-N 2.99Å; T54-E58 WeakPolarHBondContact O-CG 3.43Å; T54-E58 PolarHBondContact O-N 3.01Å
55	R	90.8	Very high	85.1	Confident	121 Å²	121	87 Å²	87	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-62.6	-36.1	176.9	-67.2	-173.2	175.6	174	-0.8	112.3	H49 E58 A59	H49-R55 HydrophobicContact CB-CB 4.14Å; R55-E58 PolarHBondContact O-N 3.12Å; R55-A59 WeakPolarHBondContact O-CB 3.32Å; R55-A59 PolarHBondContact O-N 3.08Å
56	Y	90.2	Very high	85.5	Confident	99 Å²	99	94.7 Å²	94.7	39%	0.388	46%	0.46	S	S	.	.	H	α-helix	trans	-60.8	-48.6	174.4	176.8	-96.3	0	0	0	111	H49 S52 H53 T54 E58 A59 V60 L65	H49-Y56 AromaticContact CD2-CD2 3.88Å; S52-Y56 WeakPolarHBondContact O-CB 3.5Å; S52-Y56 PolarHBondContact O-N 3.46Å; H53-Y56 WeakPolarHBondContact O-CB 3.49Å; H53-Y56 PolarHBondContact O-N 2.92Å; T54-Y56 VanDerWaalsContact C-N 3.29Å; T54-Y56 PolarHBondContact O-N 3.04Å; Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 3.47Å; Y56-A59 WeakPolarHBondContact O-CB 3.3Å; Y56-A59 PolarHBondContact O-N 3.37Å; Y56-A59 VanDerWaalsContact O-N 3.14Å; Y56-V60 HydrophobicContact CD1-CG2 4.02Å; Y56-V60 HydrophobicContact CE1-CG2 3.58Å; Y56-V60 HydrophobicContact CE2-CG2 4.21Å; Y56-V60 WeakPolarHBondContact O-CG2 3.45Å; Y56-V60 PolarHBondContact O-N 3.18Å; Y56-L65 HydrophobicContact CD2-CD1 4.37Å; Y56-L65 HydrophobicContact CE2-CD1 3.64Å; Y56-L65 HydrophobicContact CE2-CD2 4.4Å
57	H	91.9	Very high	86	Confident	86 Å²	86	92.4 Å²	92.4	40%	0.398	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-33.4	177.7	-83	-69.2	0	0	0	113.8	H53 T54 R61	H53-H57 AromaticContact CE1-CD2 3.2Å; H53-H57 PolarHBondContact CE1-CD2 3.24Å; H53-H57 AromaticContact CE1-NE2 2.91Å; H53-H57 PolarHBondContact CE1-NE2 2.99Å; H53-H57 AromaticContact ND1-CD2 3.23Å; H53-H57 PolarHBondContact ND1-CD2 3.18Å; H53-H57 AromaticContact ND1-NE2 3.34Å; H53-H57 PolarHBondContact ND1-NE2 3.31Å; H53-H57 AromaticContact NE2-NE2 3.95Å; H53-H57 PolarHBondContact O-CD2 3.02Å; H53-H57 VanDerWaalsContact O-CD2 3.31Å; H53-H57 PolarHBondContact O-N 3.26Å; H53-H57 VanDerWaalsContact O-N 3.13Å; T54-H57 PolarHBondContact O-N 2.99Å; H57-R61 WeakPolarHBondContact O-CB 3.3Å; H57-R61 WeakPolarHBondContact O-CG 3.29Å; H57-R61 PolarHBondContact O-N 3.11Å; H57-R61 PolarHBondContact O-NE 2.9Å
58	E	93.8	Very high	86.4	Confident	92 Å²	92	94.1 Å²	94.1	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-42.8	172.1	-71.1	173.9	-169.5	0	0	111.8	T54 R55 Y56 R61 K62	T54-E58 WeakPolarHBondContact O-CG 3.43Å; T54-E58 PolarHBondContact O-N 3.01Å; R55-E58 PolarHBondContact O-N 3.12Å; Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 3.47Å; E58-R61 PolarHBondContact O-N 3.13Å; E58-K62 WeakPolarHBondContact O-CB 3.38Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 3.36Å
59	A	90.7	Very high	86.6	Confident	3 Å²	3	93.9 Å²	93.9	3%	0.025	45%	0.454	C	S	.	.	H	α-helix	trans	-64.5	-39.7	176.9	0	0	0	0	0	112.3	V48 R55 Y56 K62 V63 L64 L65	V48-A59 HydrophobicContact CG1-CB 3.68Å; R55-A59 WeakPolarHBondContact O-CB 3.32Å; R55-A59 PolarHBondContact O-N 3.08Å; Y56-A59 WeakPolarHBondContact O-CB 3.3Å; Y56-A59 PolarHBondContact O-N 3.37Å; Y56-A59 VanDerWaalsContact O-N 3.14Å; A59-K62 CarbonylContact O-C 3.56Å; A59-K62 PolarHBondContact O-N 3.31Å; A59-V63 PolarHBondContact O-N 2.93Å; A59-L64 HydrophobicContact CB-CB 4.35Å; A59-L64 PolarHBondContact O-N 3.34Å; A59-L65 HydrophobicContact CB-CD2 3.96Å; A59-L65 HydrophobicContact CB-CG 4.34Å
60	V	88.8	Confident	86.7	Confident	64 Å²	64	93.6 Å²	93.6	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-48.9	173.2	173	0	0	0	0	110.4	Y56 K62 V63 L65	Y56-V60 HydrophobicContact CD1-CG2 4.02Å; Y56-V60 HydrophobicContact CE1-CG2 3.58Å; Y56-V60 HydrophobicContact CE2-CG2 4.21Å; Y56-V60 WeakPolarHBondContact O-CG2 3.45Å; Y56-V60 PolarHBondContact O-N 3.18Å; V60-K62 PolarHBondContact O-N 3.08Å; V60-V63 PolarHBondContact O-N 2.91Å; V60-L65 HydrophobicContact CG2-CD1 3.53Å; V60-L65 HydrophobicContact CG2-CG 4.48Å
61	R	91.5	Very high	86.6	Confident	186 Å²	186	91.2 Å²	91.2	70%	0.702	44%	0.442	S	S	*	.	H	α-helix	trans	-59.9	-35.3	178.9	-80.2	-176.3	-84.9	178.9	-5.5	112.8	H57 E58	H57-R61 WeakPolarHBondContact O-CB 3.3Å; H57-R61 WeakPolarHBondContact O-CG 3.29Å; H57-R61 PolarHBondContact O-N 3.11Å; H57-R61 PolarHBondContact O-NE 2.9Å; E58-R61 PolarHBondContact O-N 3.13Å
62	K	92.9	Very high	86.9	Confident	142 Å²	142	87.8 Å²	87.8	62%	0.617	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1.7	178.4	-66.5	178.2	179.3	177.7	0	113.7	E58 A59 V60 L64	E58-K62 WeakPolarHBondContact O-CB 3.38Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 3.36Å; A59-K62 CarbonylContact O-C 3.56Å; A59-K62 PolarHBondContact O-N 3.31Å; V60-K62 PolarHBondContact O-N 3.08Å; K62-L64 HydrophobicContact CB-CD1 3.76Å; K62-L64 HydrophobicContact CB-CG 3.65Å; K62-L64 HydrophobicContact CD-CD1 3.97Å; K62-L64 PolarHBondContact O-N 3.2Å
63	V	87.3	Confident	86.7	Confident	125 Å²	125	87.7 Å²	87.7	76%	0.758	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	41.2	-177.1	-162.4	0	0	0	0	111.9	A59 V60	A59-V63 PolarHBondContact O-N 2.93Å; V60-V63 PolarHBondContact O-N 2.91Å
64	L	85.6	Confident	86.7	Confident	89 Å²	89	85.9 Å²	85.9	47%	0.466	41%	0.407	S	S	.	.			trans	-90.7	-7.3	-178.8	-65.1	176	0	0	0	113.4	V48 A59 K62 K66	V48-L64 HydrophobicContact CG1-CB 4.36Å; A59-L64 HydrophobicContact CB-CB 4.35Å; A59-L64 PolarHBondContact O-N 3.34Å; K62-L64 HydrophobicContact CB-CD1 3.76Å; K62-L64 HydrophobicContact CB-CG 3.65Å; K62-L64 HydrophobicContact CD-CD1 3.97Å; K62-L64 PolarHBondContact O-N 3.2Å; L64-K66 PolarHBondContact O-N 3.23Å
65	L	83.9	Confident	86.4	Confident	47 Å²	47	86.2 Å²	86.2	25%	0.246	40%	0.404	C	S	.	.			trans	-74.8	118.4	178.7	-64.7	-174.3	0	0	0	109.5	N45 Y56 A59 V60	N45-L65 HydrophobicContact CB-CD2 3.94Å; N45-L65 WeakPolarHBondContact ND2-CB 3.36Å; Y56-L65 HydrophobicContact CD2-CD1 4.37Å; Y56-L65 HydrophobicContact CE2-CD1 3.64Å; Y56-L65 HydrophobicContact CE2-CD2 4.4Å; A59-L65 HydrophobicContact CB-CD2 3.96Å; A59-L65 HydrophobicContact CB-CG 4.34Å; V60-L65 HydrophobicContact CG2-CD1 3.53Å; V60-L65 HydrophobicContact CG2-CG 4.48Å
66	K	77.4	Confident	86.4	Confident	176 Å²	176	81.6 Å²	81.6	77%	0.765	39%	0.39	S	S	*	.			trans	-88.4	-31.2	-179.7	-64.1	-175.6	178.1	-177.2	0	112.8	N45 L64	N45-K66 PolarHBondContact OD1-N 3.05Å; L64-K66 PolarHBondContact O-N 3.23Å
67	T	78.8	Confident	86.3	Confident	44 Å²	44	78.9 Å²	78.9	27%	0.27	38%	0.382	S	S	.	.			trans	-87.6	137.5	-174.3	69.1	0	0	0	0	113.6	N45	N45-T67 PolarHBondContact ND2-N 2.7Å; N45-T67 PolarHBondContact ND2-OG1 3.1Å; N45-T67 PolarHBondContact OD1-N 3.29Å
68	F	79.3	Confident	86.1	Confident	110 Å²	110	78.4 Å²	78.4	48%	0.482	39%	0.385	S	S	.	.			trans	-95.7	160.6	176	-67.5	-94.9	0	0	0	112.2	N70 Q71 V72 H89	F68-N70 PolarHBondContact O-N 2.91Å; F68-Q71 WeakPolarHBondContact O-CB 2.95Å; F68-Q71 PolarHBondContact O-N 3.27Å; F68-V72 PolarHBondContact O-N 2.93Å; F68-H89 WeakPolarHBondContact CB-NE2 3.49Å; F68-H89 AromaticContact CD1-NE2 3.58Å; F68-H89 AromaticContact CD2-CD2 3.05Å; F68-H89 WeakPolarHBondContact CD2-CD2 3.46Å; F68-H89 AromaticContact CD2-NE2 3.49Å; F68-H89 WeakPolarHBondContact CD2-NE2 3.42Å; F68-H89 AromaticContact CE2-CD2 3.57Å; F68-H89 AromaticContact CG-CD2 3.29Å; F68-H89 WeakPolarHBondContact CG-CD2 3.36Å; F68-H89 AromaticContact CG-NE2 3.12Å; F68-H89 WeakPolarHBondContact CG-NE2 3.38Å
69	P	83.2	Confident	86	Confident	52 Å²	52	79.8 Å²	79.8	34%	0.338	40%	0.395	S	S	.	.	H	α-helix	trans	-56	-35.1	-177	-27.7	35.6	0	0	0	114.5	Q71 V72 F73 Q81	P69-Q71 VanDerWaalsContact C-N 3.31Å; P69-Q71 PolarHBondContact O-N 3.17Å; P69-V72 PolarHBondContact O-N 3.4Å; P69-F73 WeakPolarHBondContact O-CD2 3.23Å; P69-F73 PolarHBondContact O-N 3.21Å; P69-Q81 HydrophobicContact CB-CG 4.2Å; P69-Q81 HydrophobicContact CG-CG 4.35Å
70	N	84.2	Confident	85.8	Confident	15 Å²	15	83.2 Å²	83.2	8%	0.08	42%	0.424	C	S	.	.	H	α-helix	trans	-75.9	-16.6	-179.9	71	-18.5	0	0	0	114	R20 F68 F73 F85 Q87 H89	R20-N70 PolarHBondContact NE-O 3.05Å; R20-N70 PolarHBondContact NH2-O 2.84Å; F68-N70 PolarHBondContact O-N 2.91Å; N70-F73 VanDerWaalsContact O-O 3.11Å; N70-F85 HydrophobicContact CB-CD1 4.17Å; N70-F85 HydrophobicContact CB-CD2 3.76Å; N70-F85 HydrophobicContact CB-CE1 4.15Å; N70-F85 HydrophobicContact CB-CE2 3.74Å; N70-F85 HydrophobicContact CB-CG 3.99Å; N70-F85 HydrophobicContact CB-CZ 3.94Å; N70-F85 VanDerWaalsContact CB-O 3.29Å; N70-F85 WeakPolarHBondContact CB-O 3.4Å; N70-F85 PolarHBondContact ND2-O 3.35Å; N70-Q87 PolarHBondContact ND2-O 3.14Å; N70-H89 PolarHBondContact ND2-CE1 3.37Å; N70-H89 PolarHBondContact ND2-ND1 3.36Å; N70-H89 VanDerWaalsContact ND2-ND1 3.11Å; N70-H89 PolarHBondContact OD1-CE1 2.81Å; N70-H89 PolarHBondContact OD1-ND1 3.38Å; N70-H89 PolarHBondContact OD1-NE2 2.91Å
71	Q	81.2	Confident	85.8	Confident	85 Å²	85	82.1 Å²	82.1	40%	0.397	42%	0.415	S	S	.	.	H	α-helix	trans	-81	-29.5	169.8	-65.1	173.1	-25.7	0	0	110.9	F68 P69	F68-Q71 WeakPolarHBondContact O-CB 2.95Å; F68-Q71 PolarHBondContact O-N 3.27Å; P69-Q71 VanDerWaalsContact C-N 3.31Å; P69-Q71 PolarHBondContact O-N 3.17Å
72	V	83.3	Confident	85.6	Confident	40 Å²	40	76.1 Å²	76.1	24%	0.242	40%	0.397	C	S	.	.	H	α-helix	trans	-87.3	-39.7	-178.6	-178.6	0	0	0	0	111.7	K19 R20 F68 P69	K19-V72 WeakPolarHBondContact CA-O 3.45Å; K19-V72 HydrophobicContact CG-CG1 4.4Å; K19-V72 VanDerWaalsContact CG-O 3.32Å; K19-V72 WeakPolarHBondContact CG-O 3.5Å; R20-V72 PolarHBondContact N-O 3.18Å; F68-V72 PolarHBondContact O-N 2.93Å; P69-V72 PolarHBondContact O-N 3.4Å
73	F	85.3	Confident	85.1	Confident	39 Å²	39	78 Å²	78	17%	0.171	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-115.7	150.4	-173.7	-59.5	-71.5	0	0	0	111.9	F15 K18 K19 R20 P69 N70 I75 L77 F85	F15-F73 HydrophobicContact CB-CE1 4.44Å; K18-F73 CarbonylContact O-C 3.59Å; K18-F73 WeakPolarHBondContact O-CA 3.26Å; K19-F73 HydrophobicContact CB-CD1 4.39Å; K19-F73 HydrophobicContact CB-CE1 4.47Å; R20-F73 PolarHBondContact NE-O 2.98Å; R20-F73 VanDerWaalsContact NE-O 3.08Å; P69-F73 WeakPolarHBondContact O-CD2 3.23Å; P69-F73 PolarHBondContact O-N 3.21Å; N70-F73 VanDerWaalsContact O-O 3.11Å; F73-I75 WeakPolarHBondContact CB-O 3.47Å; F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CD2 4.35Å; F73-L77 HydrophobicContact CD1-CG 4.25Å; F73-L77 HydrophobicContact CD2-CD1 3.81Å; F73-L77 HydrophobicContact CD2-CG 4.15Å; F73-L77 HydrophobicContact CE1-CD1 3.64Å; F73-L77 HydrophobicContact CE2-CD1 3.57Å; F73-L77 HydrophobicContact CE2-CG 4.4Å; F73-L77 HydrophobicContact CG-CD1 3.96Å; F73-L77 HydrophobicContact CG-CD2 4.49Å; F73-L77 HydrophobicContact CG-CG 4.07Å; F73-L77 HydrophobicContact CZ-CD1 3.49Å; F73-L77 VanDerWaalsContact CZ-CD1 3.49Å; F73-F85 WeakPolarHBondContact O-CZ 3.31Å
74	R	86.4	Confident	84.9	Confident	99 Å²	99	75 Å²	75	37%	0.374	39%	0.39	S	S	.	.	S	Bend	trans	-76	-32.4	174.5	-70.5	-179.4	173.8	-161.9	-4.6	111.7	K18 R20 E24 F85	K18-R74 PolarHBondContact O-N 3.07Å; R20-R74 HydrophobicContact CB-CG 4.4Å; R20-R74 HydrophobicContact CG-CB 4.4Å; R20-R74 HydrophobicContact CG-CG 3.52Å; E24-R74 IonicContact OE1-CZ 2.71Å; E24-R74 IonicContact OE1-NH1 3.83Å; E24-R74 IonicContact OE1-NH2 2.67Å; E24-R74 PolarHBondContact OE1-NH2 3.27Å; E24-R74 IonicContact OE2-CZ 3.24Å; E24-R74 IonicContact OE2-NH2 2.77Å; E24-R74 PolarHBondContact OE2-NH2 2.79Å; R74-F85 WeakPolarHBondContact O-CE1 3.46Å
75	I	88.1	Confident	85	Confident	96 Å²	96	71.5 Å²	71.5	49%	0.492	37%	0.371	S	S	.	.	S	Bend	trans	-134.1	143.4	-172.2	-57.1	170.7	0	0	0	107.5	F73 L77	F73-I75 WeakPolarHBondContact CB-O 3.47Å; I75-L77 PolarHBondContact O-N 3.03Å
76	P	90.3	Very high	84.8	Confident	24 Å²	24	78 Å²	78	16%	0.156	39%	0.392	C	S	.	.			trans	-58.7	133.5	173.3	22.8	-31.9	0	0	0	110.5	Q81 N82 F85	P76-Q81 HydrophobicContact CB-CB 3.78Å; P76-N82 WeakPolarHBondContact CB-OD1 3.21Å; P76-N82 WeakPolarHBondContact CG-OD1 3.05Å; P76-F85 HydrophobicContact CB-CD2 3.77Å; P76-F85 HydrophobicContact CB-CE2 4.11Å; P76-F85 HydrophobicContact CB-CG 4.07Å; P76-F85 HydrophobicContact CG-CD1 4.42Å; P76-F85 HydrophobicContact CG-CD2 4.37Å; P76-F85 HydrophobicContact CG-CG 4.22Å
77	L	88.5	Confident	85.1	Confident	43 Å²	43	74 Å²	74	23%	0.225	38%	0.376	C	S	.	.	S	Bend	trans	-88.2	-28.5	179.8	-61.8	-173.4	0	0	0	112.4	F15 K18 F73 I75	F15-L77 HydrophobicContact CB-CD1 4.5Å; F15-L77 HydrophobicContact CD1-CD1 3.53Å; F15-L77 HydrophobicContact CD1-CD2 3.68Å; F15-L77 HydrophobicContact CD1-CG 4.12Å; F15-L77 HydrophobicContact CE1-CB 4.33Å; F15-L77 HydrophobicContact CE1-CD1 3.92Å; F15-L77 HydrophobicContact CE1-CD2 4.12Å; F15-L77 HydrophobicContact CE1-CG 4.36Å; F15-L77 HydrophobicContact CG-CD1 4.12Å; K18-L77 HydrophobicContact CB-CD2 4.04Å; K18-L77 HydrophobicContact CD-CD2 3.43Å; K18-L77 VanDerWaalsContact CD-CD2 3.43Å; K18-L77 HydrophobicContact CG-CD2 4.38Å; F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CD2 4.35Å; F73-L77 HydrophobicContact CD1-CG 4.25Å; F73-L77 HydrophobicContact CD2-CD1 3.81Å; F73-L77 HydrophobicContact CD2-CG 4.15Å; F73-L77 HydrophobicContact CE1-CD1 3.64Å; F73-L77 HydrophobicContact CE2-CD1 3.57Å; F73-L77 HydrophobicContact CE2-CG 4.4Å; F73-L77 HydrophobicContact CG-CD1 3.96Å; F73-L77 HydrophobicContact CG-CD2 4.49Å; F73-L77 HydrophobicContact CG-CG 4.07Å; F73-L77 HydrophobicContact CZ-CD1 3.49Å; F73-L77 VanDerWaalsContact CZ-CD1 3.49Å; I75-L77 PolarHBondContact O-N 3.03Å
78	T	88.8	Confident	85.1	Confident	76 Å²	76	73.4 Å²	73.4	47%	0.466	37%	0.374	S	S	.	.	S	Bend	trans	-126.9	153.6	-180	60.6	0	0	0	0	109.8	A80 Q81	T78-A80 PolarHBondContact O-N 3.22Å; T78-Q81 WeakPolarHBondContact O-CB 3.14Å; T78-Q81 PolarHBondContact O-N 2.78Å; T78-Q81 VanDerWaalsContact OG1-CG 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.49Å
79	D	89.7	Confident	84.9	Confident	120 Å²	120	70.8 Å²	70.8	64%	0.642	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-62	-35.2	179.8	-169.6	34.7	0	0	0	112.1	Q81 N82	D79-Q81 PolarHBondContact O-N 3.07Å; D79-Q81 VanDerWaalsContact O-N 3.12Å; D79-N82 WeakPolarHBondContact O-CB 3.12Å; D79-N82 PolarHBondContact O-N 3.14Å; D79-N82 PolarHBondContact OD1-ND2 3.06Å
80	A	87.8	Confident	84.7	Confident	76 Å²	76	73.3 Å²	73.3	63%	0.628	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-60.7	-23.1	173.9	0	0	0	0	0	113.7	T78 N82	T78-A80 PolarHBondContact O-N 3.22Å; A80-N82 VanDerWaalsContact C-N 3.33Å
81	Q	88.1	Confident	84.3	Confident	40 Å²	40	79.4 Å²	79.4	19%	0.187	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-76.6	-21.2	175.4	-71.5	169.5	3.5	0	0	112.2	P69 P76 T78 D79 F83 S84 F85	P69-Q81 HydrophobicContact CB-CG 4.2Å; P69-Q81 HydrophobicContact CG-CG 4.35Å; P76-Q81 HydrophobicContact CB-CB 3.78Å; T78-Q81 WeakPolarHBondContact O-CB 3.14Å; T78-Q81 PolarHBondContact O-N 2.78Å; T78-Q81 VanDerWaalsContact OG1-CG 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.49Å; D79-Q81 PolarHBondContact O-N 3.07Å; D79-Q81 VanDerWaalsContact O-N 3.12Å; Q81-F83 VanDerWaalsContact C-N 3.25Å; Q81-F83 PolarHBondContact O-N 2.9Å; Q81-S84 PolarHBondContact O-N 3.01Å; Q81-F85 HydrophobicContact CB-CD2 4.37Å; Q81-F85 VanDerWaalsContact O-CB 3.28Å; Q81-F85 WeakPolarHBondContact O-CB 3.36Å; Q81-F85 PolarHBondContact O-N 3.25Å
82	N	87.8	Confident	84.3	Confident	61 Å²	61	78.6 Å²	78.6	33%	0.326	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.6	-175.3	-74.8	-30.8	0	0	0	113.3	P76 D79 A80 S84 W86	P76-N82 WeakPolarHBondContact CB-OD1 3.21Å; P76-N82 WeakPolarHBondContact CG-OD1 3.05Å; D79-N82 WeakPolarHBondContact O-CB 3.12Å; D79-N82 PolarHBondContact O-N 3.14Å; D79-N82 PolarHBondContact OD1-ND2 3.06Å; A80-N82 VanDerWaalsContact C-N 3.33Å; N82-S84 PolarHBondContact O-N 3.24Å; N82-W86 PolarHBondContact O-NE1 3.06Å
83	F	83.1	Confident	84.3	Confident	180 Å²	180	79.1 Å²	79.1	79%	0.789	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-41.9	-174.3	-65	-75.8	0	0	0	113.7	Q81	Q81-F83 VanDerWaalsContact C-N 3.25Å; Q81-F83 PolarHBondContact O-N 2.9Å
84	S	81.8	Confident	84.1	Confident	63 Å²	63	84.9 Å²	84.9	44%	0.441	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-0	-175.5	58.6	0	0	0	0	113.6	Q81 N82 W86 Q87	Q81-S84 PolarHBondContact O-N 3.01Å; N82-S84 PolarHBondContact O-N 3.24Å; S84-W86 PolarHBondContact O-N 2.89Å; S84-Q87 WeakPolarHBondContact O-CB 3.29Å; S84-Q87 PolarHBondContact O-N 3.31Å
85	F	87.5	Confident	83.8	Confident	16 Å²	16	83 Å²	83	7%	0.07	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.4	-176.6	-154.5	-99	0	0	0	113	N70 F73 R74 P76 Q81 Q87	N70-F85 HydrophobicContact CB-CD1 4.17Å; N70-F85 HydrophobicContact CB-CD2 3.76Å; N70-F85 HydrophobicContact CB-CE1 4.15Å; N70-F85 HydrophobicContact CB-CE2 3.74Å; N70-F85 HydrophobicContact CB-CG 3.99Å; N70-F85 HydrophobicContact CB-CZ 3.94Å; N70-F85 VanDerWaalsContact CB-O 3.29Å; N70-F85 WeakPolarHBondContact CB-O 3.4Å; N70-F85 PolarHBondContact ND2-O 3.35Å; F73-F85 WeakPolarHBondContact O-CZ 3.31Å; R74-F85 WeakPolarHBondContact O-CE1 3.46Å; P76-F85 HydrophobicContact CB-CD2 3.77Å; P76-F85 HydrophobicContact CB-CE2 4.11Å; P76-F85 HydrophobicContact CB-CG 4.07Å; P76-F85 HydrophobicContact CG-CD1 4.42Å; P76-F85 HydrophobicContact CG-CD2 4.37Å; P76-F85 HydrophobicContact CG-CG 4.22Å; Q81-F85 HydrophobicContact CB-CD2 4.37Å; Q81-F85 VanDerWaalsContact O-CB 3.28Å; Q81-F85 WeakPolarHBondContact O-CB 3.36Å; Q81-F85 PolarHBondContact O-N 3.25Å; F85-Q87 VanDerWaalsContact C-N 3.34Å
86	W	81.4	Confident	83.6	Confident	183 Å²	183	81.2 Å²	81.2	69%	0.693	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.3	-176.8	-45.4	97.9	0	0	0	113.5	N82 S84	N82-W86 PolarHBondContact O-NE1 3.06Å; S84-W86 PolarHBondContact O-N 2.89Å
87	Q	82.3	Confident	83.3	Confident	92 Å²	92	84.9 Å²	84.9	43%	0.43	46%	0.458	S	S	.	.	S	Bend	trans	-74.4	132.6	-176.7	-167.8	173.4	7.3	0	0	110.7	N70 S84 F85 H89	N70-Q87 PolarHBondContact ND2-O 3.14Å; S84-Q87 WeakPolarHBondContact O-CB 3.29Å; S84-Q87 PolarHBondContact O-N 3.31Å; F85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-H89 PolarHBondContact O-CE1 3.36Å; Q87-H89 PolarHBondContact O-ND1 3.36Å
88	S	79	Confident	83	Confident	32 Å²	32	85.9 Å²	85.9	22%	0.224	47%	0.466	C	S	.	.			trans	-67.2	141.8	171.1	54.1	0	0	0	0	110.3	T98	S88-T98 PolarHBondContact OG-OG1 3.01Å
89	H	75.8	Confident	82.7	Confident	55 Å²	55	84 Å²	84	26%	0.255	45%	0.452	S	S	.	.			trans	-99.9	-5.6	-177	-72.9	62.7	0	0	0	113.1	F68 N70 Q87 P91	F68-H89 WeakPolarHBondContact CB-NE2 3.49Å; F68-H89 AromaticContact CD1-NE2 3.58Å; F68-H89 AromaticContact CD2-CD2 3.05Å; F68-H89 WeakPolarHBondContact CD2-CD2 3.46Å; F68-H89 AromaticContact CD2-NE2 3.49Å; F68-H89 WeakPolarHBondContact CD2-NE2 3.42Å; F68-H89 AromaticContact CE2-CD2 3.57Å; F68-H89 AromaticContact CG-CD2 3.29Å; F68-H89 WeakPolarHBondContact CG-CD2 3.36Å; F68-H89 AromaticContact CG-NE2 3.12Å; F68-H89 WeakPolarHBondContact CG-NE2 3.38Å; N70-H89 PolarHBondContact ND2-CE1 3.37Å; N70-H89 PolarHBondContact ND2-ND1 3.36Å; N70-H89 VanDerWaalsContact ND2-ND1 3.11Å; N70-H89 PolarHBondContact OD1-CE1 2.81Å; N70-H89 PolarHBondContact OD1-ND1 3.38Å; N70-H89 PolarHBondContact OD1-NE2 2.91Å; Q87-H89 PolarHBondContact O-CE1 3.36Å; Q87-H89 PolarHBondContact O-ND1 3.36Å; H89-P91 WeakPolarHBondContact O-CD 3.33Å
90	D	79.6	Confident	82.3	Confident	105 Å²	105	82.3 Å²	82.3	56%	0.561	45%	0.448	S	S	*	.			trans	-67.4	118.8	179.7	-60.5	-40.9	0	0	0	109.1	G92 V93	D90-G92 PolarHBondContact O-N 3.02Å; D90-V93 HydrophobicContact CB-CB 4.19Å; D90-V93 HydrophobicContact CB-CG2 3.66Å; D90-V93 PolarHBondContact O-N 3.18Å
91	P	74.8	Confident	82.1	Confident	143 Å²	143	88 Å²	88	93%	0.929	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.7	-172.8	25.4	-34.4	0	0	0	113.2	H89	H89-P91 WeakPolarHBondContact O-CD 3.33Å
92	G	80.4	Confident	81.9	Confident	68 Å²	68	88.4 Å²	88.4	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-14.8	176.6	0	0	0	0	0	114.6	D90	D90-G92 PolarHBondContact O-N 3.02Å
93	V	83.4	Confident	81.8	Confident	51 Å²	51	92.6 Å²	92.6	31%	0.309	47%	0.467	S	S	.	.	S	Bend	trans	-92.3	119.9	-174	-179.1	0	0	0	0	109.2	D90 E97 T98	D90-V93 HydrophobicContact CB-CB 4.19Å; D90-V93 HydrophobicContact CB-CG2 3.66Å; D90-V93 PolarHBondContact O-N 3.18Å; V93-E97 HydrophobicContact CG1-CB 4.24Å; V93-T98 WeakPolarHBondContact CG1-OG1 3.35Å
94	R	81.6	Confident	81.9	Confident	160 Å²	160	87.5 Å²	87.5	60%	0.604	45%	0.454	S	S	*	.			trans	-69.4	138.7	174.3	-70.9	-176.2	159.4	-178.1	-3.1	109	E96 E97 T98	R94-E96 PolarHBondContact O-N 3.37Å; R94-E97 HydrophobicContact CB-CG 4.09Å; R94-E97 PolarHBondContact N-OE2 3.1Å; R94-E97 WeakPolarHBondContact O-CA 3.42Å; R94-E97 WeakPolarHBondContact O-CB 3.49Å; R94-E97 PolarHBondContact O-N 3.04Å; R94-T98 PolarHBondContact O-N 3.47Å
95	P	81.2	Confident	82.2	Confident	59 Å²	59	90 Å²	90	38%	0.383	47%	0.468	S	S	.	.	H	α-helix	trans	-53.9	-32.7	175.2	-26.7	34.3	0	0	0	112.7	E97 T98 M99	P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.92Å; P95-T98 PolarHBondContact O-N 3.45Å; P95-M99 VanDerWaalsContact O-CB 3.3Å; P95-M99 WeakPolarHBondContact O-CB 3.42Å; P95-M99 PolarHBondContact O-N 3.21Å
96	E	83.8	Confident	81.9	Confident	58 Å²	58	95.9 Å²	95.9	27%	0.271	49%	0.49	S	S	.	.	H	α-helix	trans	-62.2	-29.9	174.9	-70.8	158.5	-160.8	0	0	113.1	R94 M99 R103 R106	R94-E96 PolarHBondContact O-N 3.37Å; E96-M99 CarbonylContact O-C 3.57Å; E96-R103 HydrophobicContact CB-CG 4Å; E96-R103 HydrophobicContact CG-CG 4.49Å; E96-R103 WeakPolarHBondContact O-CG 3.48Å; E96-R103 PolarHBondContact O-NE 3.4Å; E96-R103 PolarHBondContact O-NH2 3.25Å; E96-R106 IonicContact OE1-CZ 3.65Å; E96-R106 VanDerWaalsContact OE1-CZ 3.24Å; E96-R106 IonicContact OE1-NH1 3.27Å; E96-R106 PolarHBondContact OE1-NH1 3.3Å; E96-R106 IonicContact OE1-NH2 3.63Å; E96-R106 PolarHBondContact OE1-NH2 3.38Å
97	E	83.1	Confident	82.2	Confident	102 Å²	102	95.5 Å²	95.5	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-75.1	-43.5	175.9	-67.3	163	-174.9	0	0	112.1	V93 R94 P95 M99	V93-E97 HydrophobicContact CG1-CB 4.24Å; R94-E97 HydrophobicContact CB-CG 4.09Å; R94-E97 PolarHBondContact N-OE2 3.1Å; R94-E97 WeakPolarHBondContact O-CA 3.42Å; R94-E97 WeakPolarHBondContact O-CB 3.49Å; R94-E97 PolarHBondContact O-N 3.04Å; P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.92Å; E97-M99 VanDerWaalsContact C-N 3.32Å
98	T	81.2	Confident	82.3	Confident	64 Å²	64	95.5 Å²	95.5	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-32.4	175.1	-51.3	0	0	0	0	111.8	S88 V93 R94 P95	S88-T98 PolarHBondContact OG-OG1 3.01Å; V93-T98 WeakPolarHBondContact CG1-OG1 3.35Å; R94-T98 PolarHBondContact O-N 3.47Å; P95-T98 PolarHBondContact O-N 3.45Å
99	M	82.5	Confident	82.8	Confident	35 Å²	35	101.2 Å²	101.2	17%	0.172	53%	0.532	C	S	.	.			trans	-127.9	84.3	-169.6	-56.9	173.5	72.4	0	0	110.7	P95 E96 E97 W101 I102	P95-M99 VanDerWaalsContact O-CB 3.3Å; P95-M99 WeakPolarHBondContact O-CB 3.42Å; P95-M99 PolarHBondContact O-N 3.21Å; E96-M99 CarbonylContact O-C 3.57Å; E97-M99 VanDerWaalsContact C-N 3.32Å; M99-W101 HydrophobicContact CE-CH2 3.68Å; M99-W101 HydrophobicContact CE-CZ2 3.02Å; M99-W101 PolarHBondContact O-N 2.71Å; M99-W101 VanDerWaalsContact O-N 3.16Å; M99-I102 HydrophobicContact CB-CB 4.46Å; M99-I102 HydrophobicContact CB-CD1 3.83Å; M99-I102 HydrophobicContact CB-CG1 4.05Å; M99-I102 HydrophobicContact CE-CD1 3.53Å; M99-I102 HydrophobicContact CE-CG1 4.39Å; M99-I102 HydrophobicContact CG-CD1 4.41Å; M99-I102 PolarHBondContact O-N 3.03Å; M99-I102 HydrophobicContact SD-CD1 3.76Å
100	P	82.7	Confident	83.4	Confident	86 Å²	86	105.5 Å²	105.5	56%	0.558	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-63.3	-26.9	-173.5	23.7	-33.6	0	0	0	113.1	I102 R103	P100-I102 PolarHBondContact O-N 3.02Å; P100-R103 VanDerWaalsContact O-CB 3.26Å; P100-R103 WeakPolarHBondContact O-CB 3.4Å; P100-R103 PolarHBondContact O-N 3.44Å; P100-R103 VanDerWaalsContact O-N 3.1Å
101	W	82.7	Confident	84	Confident	196 Å²	196	105 Å²	105	74%	0.742	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.3	177.5	59.1	-99	0	0	0	114	M99	M99-W101 HydrophobicContact CE-CH2 3.68Å; M99-W101 HydrophobicContact CE-CZ2 3.02Å; M99-W101 PolarHBondContact O-N 2.71Å; M99-W101 VanDerWaalsContact O-N 3.16Å
102	I	84.4	Confident	85	Confident	47 Å²	47	101 Å²	101	24%	0.241	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-82.7	-17.9	173.1	-63.6	-178.4	0	0	0	111.3	M99 P100 S104	M99-I102 HydrophobicContact CB-CB 4.46Å; M99-I102 HydrophobicContact CB-CD1 3.83Å; M99-I102 HydrophobicContact CB-CG1 4.05Å; M99-I102 HydrophobicContact CE-CD1 3.53Å; M99-I102 HydrophobicContact CE-CG1 4.39Å; M99-I102 HydrophobicContact CG-CD1 4.41Å; M99-I102 PolarHBondContact O-N 3.03Å; M99-I102 HydrophobicContact SD-CD1 3.76Å; P100-I102 PolarHBondContact O-N 3.02Å; I102-S104 PolarHBondContact O-N 2.92Å; I102-S104 PolarHBondContact O-OG 3.06Å
103	R	85.3	Confident	85.6	Confident	150 Å²	150	101.7 Å²	101.7	57%	0.566	52%	0.522	S	S	*	.			trans	-66.4	101.8	-179.1	-65.5	179.1	175.1	-177.6	-6.2	109.6	E96 P100	E96-R103 HydrophobicContact CB-CG 4Å; E96-R103 HydrophobicContact CG-CG 4.49Å; E96-R103 WeakPolarHBondContact O-CG 3.48Å; E96-R103 PolarHBondContact O-NE 3.4Å; E96-R103 PolarHBondContact O-NH2 3.25Å; P100-R103 VanDerWaalsContact O-CB 3.26Å; P100-R103 WeakPolarHBondContact O-CB 3.4Å; P100-R103 PolarHBondContact O-N 3.44Å; P100-R103 VanDerWaalsContact O-N 3.1Å
104	S	85.3	Confident	86.1	Confident	73 Å²	73	105 Å²	105	51%	0.51	54%	0.536	S	S	.	.			trans	-126.8	144	171.5	48	0	0	0	0	108.2	I102 R106	I102-S104 PolarHBondContact O-N 2.92Å; I102-S104 PolarHBondContact O-OG 3.06Å; S104-R106 PolarHBondContact O-N 3.02Å
105	P	87.6	Confident	86.6	Confident	114 Å²	114	100.2 Å²	100.2	74%	0.74	53%	0.525	S	S	*	.			trans	-61.9	110.4	172.2	24.6	-31	0	0	0	108.8	H107	P105-H107 PolarHBondContact O-ND1 3.32Å
106	R	82	Confident	87.2	Confident	141 Å²	141	104.2 Å²	104.2	53%	0.532	53%	0.532	S	S	.	.			trans	-92.5	127.3	179.2	-63.2	-173.1	-175.4	140.4	7.9	109.7	E96 S104	E96-R106 IonicContact OE1-CZ 3.65Å; E96-R106 VanDerWaalsContact OE1-CZ 3.24Å; E96-R106 IonicContact OE1-NH1 3.27Å; E96-R106 PolarHBondContact OE1-NH1 3.3Å; E96-R106 IonicContact OE1-NH2 3.63Å; E96-R106 PolarHBondContact OE1-NH2 3.38Å; S104-R106 PolarHBondContact O-N 3.02Å
107	H	87.5	Confident	87.5	Confident	175 Å²	175	107.6 Å²	107.6	81%	0.81	55%	0.546	S	S	*	.			trans	-105.8	71.5	174.4	-56.1	87.7	0	0	0	108.1	P105 L109	P105-H107 PolarHBondContact O-ND1 3.32Å; H107-L109 PolarHBondContact O-N 3Å
108	C	84.4	Confident	87.8	Confident	92 Å²	92	105.1 Å²	105.1	62%	0.622	54%	0.535	S	S	*	.			trans	-61.5	136	179.7	-62.6	0	0	0	0	109.6	I110	C108-I110 PolarHBondContact O-N 2.98Å
109	L	89.4	Confident	88.3	Confident	151 Å²	151	104.6 Å²	104.6	79%	0.791	53%	0.53	S	S	*	.			trans	-70.5	100.6	172.9	-166.6	158.1	0	0	0	108.6	H107 K111	H107-L109 PolarHBondContact O-N 3Å; L109-K111 HydrophobicContact CD2-CG 3.82Å
110	I	89.4	Confident	88.7	Confident	146 Å²	146	108.6 Å²	108.6	75%	0.749	55%	0.548	S	S	*	.			trans	-90.6	110.2	174.7	-59.4	173.3	0	0	0	107.6	C108 S112	C108-I110 PolarHBondContact O-N 2.98Å; I110-S112 PolarHBondContact O-N 3.29Å
111	K	92.4	Very high	89	Confident	94 Å²	94	105.1 Å²	105.1	41%	0.409	53%	0.526	S	S	.	.			trans	-65.9	123.2	176.3	-67	-171.7	175.1	-168.6	0	110.2	L109 T115 R116 D119	L109-K111 HydrophobicContact CD2-CG 3.82Å; K111-T115 HydrophobicContact CB-CG2 4.37Å; K111-T115 HydrophobicContact CD-CG2 4.41Å; K111-T115 HydrophobicContact CG-CG2 4.27Å; K111-R116 HydrophobicContact CB-CG 3.94Å; K111-R116 PolarHBondContact O-NE 2.66Å; K111-R116 VanDerWaalsContact O-NE 3.15Å; K111-R116 PolarHBondContact O-NH2 2.78Å; K111-D119 WeakPolarHBondContact CD-OD2 3.47Å; K111-D119 WeakPolarHBondContact CE-OD2 3.41Å; K111-D119 IonicContact NZ-OD2 2.66Å; K111-D119 PolarHBondContact NZ-OD2 3.19Å
112	S	94.1	Very high	89.3	Confident	59 Å²	59	100.3 Å²	100.3	41%	0.413	51%	0.513	S	S	.	.			trans	-64.2	162.6	173	77.8	0	0	0	0	111.3	I110 M114 T115 R116	I110-S112 PolarHBondContact O-N 3.29Å; S112-M114 PolarHBondContact O-N 3.03Å; S112-M114 PolarHBondContact OG-N 3.45Å; S112-T115 PolarHBondContact O-N 3.4Å; S112-T115 PolarHBondContact OG-N 3.15Å; S112-T115 PolarHBondContact OG-OG1 3.17Å; S112-R116 WeakPolarHBondContact O-CG 3.29Å; S112-R116 PolarHBondContact O-N 3.37Å
113	A	94.4	Very high	89.5	Confident	82 Å²	82	104.9 Å²	104.9	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-56.8	-40.3	174.4	0	0	0	0	0	111.7	R116 F117	A113-R116 PolarHBondContact O-N 2.96Å; A113-F117 WeakPolarHBondContact O-CB 3.35Å; A113-F117 PolarHBondContact O-N 3.34Å
114	M	93.4	Very high	89.6	Confident	120 Å²	120	103.6 Å²	103.6	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-62.9	-46.2	175.8	-173.5	62.7	79.1	0	0	111.5	S112 R116 F117 M118	S112-M114 PolarHBondContact O-N 3.03Å; S112-M114 PolarHBondContact OG-N 3.45Å; M114-R116 VanDerWaalsContact C-N 3.32Å; M114-R116 PolarHBondContact O-N 3.18Å; M114-F117 WeakPolarHBondContact O-CB 3.48Å; M114-F117 PolarHBondContact O-N 2.9Å; M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.46Å; M114-M118 PolarHBondContact O-N 3.2Å; M114-M118 HydrophobicContact SD-CE 3.91Å
115	T	92.3	Very high	89.7	Confident	60 Å²	60	104.6 Å²	104.6	37%	0.368	54%	0.542	S	S	.	.	H	α-helix	trans	-61.3	-41.5	178	-46.5	0	0	0	0	111.5	K111 S112 M118 D119	K111-T115 HydrophobicContact CB-CG2 4.37Å; K111-T115 HydrophobicContact CD-CG2 4.41Å; K111-T115 HydrophobicContact CG-CG2 4.27Å; S112-T115 PolarHBondContact O-N 3.4Å; S112-T115 PolarHBondContact OG-N 3.15Å; S112-T115 PolarHBondContact OG-OG1 3.17Å; T115-M118 PolarHBondContact O-N 2.92Å; T115-D119 VanDerWaalsContact O-CG 3.22Å; T115-D119 PolarHBondContact O-N 2.96Å
116	R	93.1	Very high	89.5	Confident	143 Å²	143	111.3 Å²	111.3	54%	0.54	55%	0.552	S	S	.	*	H	α-helix	trans	-65.8	-40.3	175.7	-67.1	-178.4	-150.6	171.4	4	112.2	K111 S112 A113 M114 D119 H120	K111-R116 HydrophobicContact CB-CG 3.94Å; K111-R116 PolarHBondContact O-NE 2.66Å; K111-R116 VanDerWaalsContact O-NE 3.15Å; K111-R116 PolarHBondContact O-NH2 2.78Å; S112-R116 WeakPolarHBondContact O-CG 3.29Å; S112-R116 PolarHBondContact O-N 3.37Å; A113-R116 PolarHBondContact O-N 2.96Å; M114-R116 VanDerWaalsContact C-N 3.32Å; M114-R116 PolarHBondContact O-N 3.18Å; R116-D119 PolarHBondContact O-N 3.32Å; R116-H120 PolarHBondContact O-CD2 3.41Å; R116-H120 VanDerWaalsContact O-CD2 3.28Å; R116-H120 PolarHBondContact O-N 3.43Å
117	F	91.6	Very high	89.7	Confident	130 Å²	130	110.9 Å²	110.9	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-60.7	-47.1	175.5	174.2	-96.4	0	0	0	111	A113 M114 D119 H120 S121	A113-F117 WeakPolarHBondContact O-CB 3.35Å; A113-F117 PolarHBondContact O-N 3.34Å; M114-F117 WeakPolarHBondContact O-CB 3.48Å; M114-F117 PolarHBondContact O-N 2.9Å; F117-D119 PolarHBondContact O-N 3Å; F117-H120 PolarHBondContact O-N 3.48Å; F117-S121 PolarHBondContact O-N 3.25Å; F117-S121 PolarHBondContact O-OG 3.34Å
118	M	89.4	Confident	89.4	Confident	49 Å²	49	105.8 Å²	105.8	24%	0.241	54%	0.541	C	S	.	.	H	α-helix	trans	-58.9	-48	176.5	-67.7	-63.4	-179.3	0	0	111.6	M114 T115 H120 S121 I122 F128 L130	M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.46Å; M114-M118 PolarHBondContact O-N 3.2Å; M114-M118 HydrophobicContact SD-CE 3.91Å; T115-M118 PolarHBondContact O-N 2.92Å; M118-H120 VanDerWaalsContact C-N 3.28Å; M118-H120 PolarHBondContact O-N 3.39Å; M118-S121 VanDerWaalsContact CA-OG 3.31Å; M118-S121 WeakPolarHBondContact CA-OG 3.31Å; M118-S121 PolarHBondContact O-N 2.73Å; M118-S121 VanDerWaalsContact O-N 3.14Å; M118-S121 PolarHBondContact O-OG 2.98Å; M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.14Å; M118-F128 HydrophobicContact SD-CE1 3.95Å; M118-F128 HydrophobicContact SD-CZ 3.53Å; M118-F128 VanDerWaalsContact SD-CZ 3.53Å; M118-L130 HydrophobicContact SD-CD1 4.29Å
119	D	90.3	Very high	89.2	Confident	54 Å²	54	105.1 Å²	105.1	29%	0.289	54%	0.538	S	S	.	.	H	α-helix	trans	-56	-43	176.2	-71.4	-23.7	0	0	0	111.7	K111 T115 R116 F117 L123	K111-D119 WeakPolarHBondContact CD-OD2 3.47Å; K111-D119 WeakPolarHBondContact CE-OD2 3.41Å; K111-D119 IonicContact NZ-OD2 2.66Å; K111-D119 PolarHBondContact NZ-OD2 3.19Å; T115-D119 VanDerWaalsContact O-CG 3.22Å; T115-D119 PolarHBondContact O-N 2.96Å; R116-D119 PolarHBondContact O-N 3.32Å; F117-D119 PolarHBondContact O-N 3Å; D119-L123 VanDerWaalsContact O-CG 3.31Å; D119-L123 WeakPolarHBondContact O-CG 3.45Å; D119-L123 PolarHBondContact O-N 3.39Å
120	H	92	Very high	88.5	Confident	119 Å²	119	103.1 Å²	103.1	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-42.5	176.1	-88.6	-70.2	0	0	0	112.8	R116 F117 M118 L123 N124	R116-H120 PolarHBondContact O-CD2 3.41Å; R116-H120 VanDerWaalsContact O-CD2 3.28Å; R116-H120 PolarHBondContact O-N 3.43Å; F117-H120 PolarHBondContact O-N 3.48Å; M118-H120 VanDerWaalsContact C-N 3.28Å; M118-H120 PolarHBondContact O-N 3.39Å; H120-L123 PolarHBondContact O-N 3.21Å; H120-N124 WeakPolarHBondContact O-CB 3.31Å; H120-N124 VanDerWaalsContact O-CG 3.24Å; H120-N124 PolarHBondContact O-N 3.28Å; H120-N124 PolarHBondContact O-ND2 2.54Å
121	S	88.8	Confident	87.5	Confident	12 Å²	12	108.9 Å²	108.9	8%	0.084	54%	0.541	C	S	.	.	H	α-helix	trans	-64.9	-39.7	-180	58.1	0	0	0	0	112.7	F117 M118 L123 N124 D125 F128	F117-S121 PolarHBondContact O-N 3.25Å; F117-S121 PolarHBondContact O-OG 3.34Å; M118-S121 VanDerWaalsContact CA-OG 3.31Å; M118-S121 WeakPolarHBondContact CA-OG 3.31Å; M118-S121 PolarHBondContact O-N 2.73Å; M118-S121 VanDerWaalsContact O-N 3.14Å; M118-S121 PolarHBondContact O-OG 2.98Å; S121-L123 VanDerWaalsContact C-N 3.28Å; S121-L123 PolarHBondContact O-N 3.03Å; S121-N124 PolarHBondContact O-N 3.35Å; S121-D125 PolarHBondContact O-N 3.28Å; S121-F128 VanDerWaalsContact OG-CE1 3.3Å; S121-F128 WeakPolarHBondContact OG-CE1 3.45Å; S121-F128 WeakPolarHBondContact OG-CZ 3.3Å
122	I	87.8	Confident	87.3	Confident	95 Å²	95	109.6 Å²	109.6	49%	0.487	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-36.5	176.1	-67.1	163.7	0	0	0	111.3	M118 F128	M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.14Å; I122-F128 HydrophobicContact CG1-CD1 3.62Å; I122-F128 HydrophobicContact CG1-CE1 3.95Å
123	L	88.8	Confident	86.9	Confident	144 Å²	144	112.3 Å²	112.3	75%	0.754	56%	0.555	S	S	*	*	H	α-helix	trans	-75.3	-32.6	179.3	-70.1	172.5	0	0	0	112.9	D119 H120 S121	D119-L123 VanDerWaalsContact O-CG 3.31Å; D119-L123 WeakPolarHBondContact O-CG 3.45Å; D119-L123 PolarHBondContact O-N 3.39Å; H120-L123 PolarHBondContact O-N 3.21Å; S121-L123 VanDerWaalsContact C-N 3.28Å; S121-L123 PolarHBondContact O-N 3.03Å
124	N	88.7	Confident	86.5	Confident	122 Å²	122	113.9 Å²	113.9	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-87.1	-41.8	-176.3	-68.5	-25.5	0	0	0	112.5	H120 S121	H120-N124 WeakPolarHBondContact O-CB 3.31Å; H120-N124 VanDerWaalsContact O-CG 3.24Å; H120-N124 PolarHBondContact O-N 3.28Å; H120-N124 PolarHBondContact O-ND2 2.54Å; S121-N124 PolarHBondContact O-N 3.35Å
125	D	86.6	Confident	86.1	Confident	94 Å²	94	113.6 Å²	113.6	50%	0.503	55%	0.546	S	S	.	.			trans	-113	110.5	-173.1	-73.8	-27.5	0	0	0	111.1	S121 T127 F128	S121-D125 PolarHBondContact O-N 3.28Å; D125-T127 PolarHBondContact O-N 3.08Å; D125-F128 HydrophobicContact CB-CB 3.89Å; D125-F128 VanDerWaalsContact O-CB 3.3Å; D125-F128 WeakPolarHBondContact O-CB 3.38Å; D125-F128 PolarHBondContact O-N 3.18Å; D125-F128 VanDerWaalsContact O-N 3.08Å
126	R	82.9	Confident	85.7	Confident	255 Å²	255	116.9 Å²	116.9	96%	0.962	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-16.4	179.9	-158.1	172.5	-177.8	166.6	0.4	113.5
127	T	86.8	Confident	85.2	Confident	132 Å²	132	115.2 Å²	115.2	81%	0.81	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-0.7	177.3	54.7	0	0	0	0	112.8	D125 S129	D125-T127 PolarHBondContact O-N 3.08Å; T127-S129 PolarHBondContact O-N 3.29Å
128	F	81.9	Confident	84.7	Confident	68 Å²	68	114.1 Å²	114.1	30%	0.298	56%	0.557	S	S	.	*			trans	-70.6	123.2	179.7	-175.6	-95.5	0	0	0	110.4	M118 S121 I122 D125	M118-F128 HydrophobicContact SD-CE1 3.95Å; M118-F128 HydrophobicContact SD-CZ 3.53Å; M118-F128 VanDerWaalsContact SD-CZ 3.53Å; S121-F128 VanDerWaalsContact OG-CE1 3.3Å; S121-F128 WeakPolarHBondContact OG-CE1 3.45Å; S121-F128 WeakPolarHBondContact OG-CZ 3.3Å; I122-F128 HydrophobicContact CG1-CD1 3.62Å; I122-F128 HydrophobicContact CG1-CE1 3.95Å; D125-F128 HydrophobicContact CB-CB 3.89Å; D125-F128 VanDerWaalsContact O-CB 3.3Å; D125-F128 WeakPolarHBondContact O-CB 3.38Å; D125-F128 PolarHBondContact O-N 3.18Å; D125-F128 VanDerWaalsContact O-N 3.08Å
129	S	79.7	Confident	84.4	Confident	79 Å²	79	119.2 Å²	119.2	55%	0.552	58%	0.581	S	S	*	*			trans	-129	135.4	177.1	176	0	0	0	0	108.4	T127 Y131	T127-S129 PolarHBondContact O-N 3.29Å; S129-Y131 WeakPolarHBondContact CB-O 3.3Å; S129-Y131 PolarHBondContact O-N 2.87Å; S129-Y131 PolarHBondContact OG-N 2.87Å; S129-Y131 PolarHBondContact OG-O 3.3Å
130	L	73.8	Confident	83.9	Confident	108 Å²	108	124.6 Å²	124.6	57%	0.565	61%	0.606	S	S	*	*			trans	-80.3	-1.3	176.9	-136.9	154.5	0	0	0	111.7	M118	M118-L130 HydrophobicContact SD-CD1 4.29Å
131	Y	68.9	Low	83.1	Confident	267 Å²	267	125.1 Å²	125.1	100%	1.047	61%	0.61	S	S	*	*			trans	-134.8	0	-179.1	-63.7	-77.2	0	0	0	111.3	S129	S129-Y131 WeakPolarHBondContact CB-O 3.3Å; S129-Y131 PolarHBondContact O-N 2.87Å; S129-Y131 PolarHBondContact OG-N 2.87Å; S129-Y131 PolarHBondContact OG-O 3.3Å

Retrieved 131 of 131 residues in 700.8 ms (Link to these results)

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