A0A087YJF2_POEFO Loading...

Protein phosphatase 1, regulatory (inhibitor) subunit 14Aa

AlphaFold DB , UniProt , Accession A0A087YJF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 161 aa.

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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	48	Very low	45	Very low	252 Å²	252	140.1 Å²	140.1	100%	1.241	87%	0.865	S	S	*	*				0	108	0	-67.3	170.4	173.3	0	0	106.2
2	A	43.3	Very low	44.9	Very low	107 Å²	107	139.4 Å²	139.4	88%	0.884	85%	0.852	S	S	*	*			trans	-126.5	109.2	176	0	0	0	0	0	106.9
3	T	52.3	Low	44.9	Very low	137 Å²	137	139 Å²	139	84%	0.84	84%	0.842	S	S	*	*			trans	-96.5	169.7	168.3	55	0	0	0	0	108.5
4	D	42.8	Very low	44.6	Very low	170 Å²	170	139.2 Å²	139.2	91%	0.909	84%	0.836	S	S	*	*			trans	93.3	134.4	168	-174.7	-103.6	0	0	0	115
5	G	40.9	Very low	44.8	Very low	59 Å²	59	140.9 Å²	140.9	61%	0.608	83%	0.831	S	S	*	*			cis	-158	136.8	9.8	0	0	0	0	0	110.3
6	S	46.3	Very low	44.9	Very low	127 Å²	127	139.9 Å²	139.9	89%	0.888	83%	0.83	S	S	*	*			trans	-88.8	136.2	175.6	-146.3	0	0	0	0	108.8
7	G	41.4	Very low	45.1	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	82%	0.82	S	S	*	*			trans	-62.9	153.1	-172.1	0	0	0	0	0	114.7
8	T	39.8	Very low	45.1	Very low	137 Å²	137	135.8 Å²	135.8	84%	0.84	82%	0.82	S	S	*	*			trans	-130.8	131.6	159.9	48.9	0	0	0	0	108
9	P	44.8	Very low	45.2	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	82%	0.821	S	S	*	*			trans	-99.5	147.4	169.8	35.1	-27.9	0	0	0	111.9
10	L	45.4	Very low	45.3	Very low	158 Å²	158	135.3 Å²	135.3	83%	0.827	82%	0.818	S	S	*	*			trans	68.6	94.7	150.2	-131.9	71.1	0	0	0	117.9
11	E	50.4	Low	45.2	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	82%	0.818	S	S	*	*			trans	-80.5	131	153.9	-83.9	164.1	68.7	0	0	109.4
12	D	43.8	Very low	45.1	Very low	132 Å²	132	133 Å²	133	71%	0.706	80%	0.799	S	S	*	*			trans	-101.2	142.6	170.9	-128.1	-62.7	0	0	0	109
13	N	44.9	Very low	45	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	79%	0.789	S	S	*	*			trans	-1.2	140.4	159	-75.2	-90	0	0	0	117.6
14	D	39.7	Very low	44.6	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	78%	0.784	S	S	*	*				-168.9	153.6	57.2	-147.5	-98	0	0	0	110.7
15	E	47.7	Very low	44.9	Very low	164 Å²	164	126.8 Å²	126.8	77%	0.766	78%	0.777	S	S	*	*			trans	-65.2	151.4	-170.7	-170.2	-179.8	98.1	0	0	114.8
16	P	47.7	Very low	45	Very low	126 Å²	126	130.8 Å²	130.8	82%	0.818	79%	0.785	S	S	*	*				-140.2	118.3	129.3	33.1	-19.4	0	0	0	113.2
17	A	48	Very low	45.3	Very low	80 Å²	80	131.4 Å²	131.4	66%	0.661	78%	0.777	S	S	*	*			trans	-92.8	141.3	166.4	0	0	0	0	0	111.4
18	P	44.8	Very low	45.4	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	77%	0.771	S	S	*	*			trans	-89.2	164.8	-170.4	36	-35.7	0	0	0	114.6
19	S	47.7	Very low	46.1	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	77%	0.766	S	S	*	*			trans	-45.1	162.9	179.5	-42	0	0	0	0	119.1
20	D	47	Very low	46.2	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	77%	0.768	S	S	*	*			trans	103.7	93.4	144.6	-152.1	-89.8	0	0	0	116
21	L	43.3	Very low	45.7	Very low	156 Å²	156	138.9 Å²	138.9	82%	0.817	76%	0.764	S	S	*	*			trans	-156	103.2	140.2	-77.4	-173.5	0	0	0	108.7	P23	L21-P23 VanDerWaalsContact O-CD 3.28Å; L21-P23 WeakPolarHBondContact O-CD 3.29Å
22	E	44.9	Very low	45.1	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	75%	0.752	S	S	*	*			trans	-70.1	123.9	149.6	-84	-82.2	97.5	0	0	108
23	P	40.8	Very low	44.8	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	76%	0.757	S	S	*	*			trans	-132.4	122.1	133.4	32.8	-20.8	0	0	0	110.6	L21	L21-P23 VanDerWaalsContact O-CD 3.28Å; L21-P23 WeakPolarHBondContact O-CD 3.29Å
24	S	45.3	Very low	44.1	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	76%	0.756	S	S	*	*				46.5	104.2	120	-165.6	0	0	0	0	115.9	N26	S24-N26 PolarHBondContact O-N 3.32Å
25	G	48.5	Very low	44	Very low	74 Å²	74	135 Å²	135	76%	0.763	75%	0.753	S	S	*	*			trans	46.4	72.2	139.5	0	0	0	0	0	115.4
26	N	43.8	Very low	43.6	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	73%	0.73	S	S	*	*			trans	-118.9	85	155.1	-141.5	-97.9	0	0	0	108.2	S24 P28	S24-N26 PolarHBondContact O-N 3.32Å; N26-P28 WeakPolarHBondContact O-CD 3.22Å
27	I	50.8	Low	43.7	Very low	140 Å²	140	132.6 Å²	132.6	72%	0.718	73%	0.731	S	S	*	*			trans	-40.2	114.4	147.8	-60.8	150.8	0	0	0	104.3	K29	I27-K29 PolarHBondContact O-N 2.74Å
28	P	45.3	Very low	43.7	Very low	99 Å²	99	135 Å²	135	64%	0.643	72%	0.724	S	S	*	*			trans	-60.7	101.3	162.7	-13.8	28.3	0	0	0	102.1	N26 R30	N26-P28 WeakPolarHBondContact O-CD 3.22Å; P28-R30 PolarHBondContact O-N 3.18Å
29	K	53.1	Low	44.4	Very low	168 Å²	168	133.6 Å²	133.6	73%	0.73	71%	0.709	S	S	*	*			trans	-64.1	76.4	168.5	-146.8	153.2	-176.5	169.6	0	101.4	I27 H31	I27-K29 PolarHBondContact O-N 2.74Å; K29-H31 PolarHBondContact O-CD2 3.29Å; K29-H31 PolarHBondContact O-N 3.26Å; K29-H31 PolarHBondContact O-NE2 3.3Å
30	R	47	Very low	45.4	Very low	221 Å²	221	138 Å²	138	83%	0.834	71%	0.708	S	S	*	*			trans	-57.9	96.2	166.4	-77.7	-167.9	-85.8	172.1	-6.7	99.6	P28 A32	P28-R30 PolarHBondContact O-N 3.18Å; R30-A32 PolarHBondContact O-N 3.45Å
31	H	36	Very low	46.3	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.736	70%	0.703	S	S	*	*			trans	-52.4	94.6	164.3	-52.3	-85	0	0	0	101.2	K29 R33	K29-H31 PolarHBondContact O-CD2 3.29Å; K29-H31 PolarHBondContact O-N 3.26Å; K29-H31 PolarHBondContact O-NE2 3.3Å; H31-R33 PolarHBondContact O-N 3.28Å
32	A	37.1	Very low	47.4	Very low	82 Å²	82	132.6 Å²	132.6	68%	0.678	67%	0.672	S	S	*	*			trans	-63	95.7	178.2	0	0	0	0	0	101.1	R30 V34	R30-A32 PolarHBondContact O-N 3.45Å; A32-V34 PolarHBondContact O-N 3.3Å
33	R	36.8	Very low	48.6	Very low	215 Å²	215	126.9 Å²	126.9	81%	0.811	65%	0.646	S	S	*	*			trans	-67.3	97.1	173.8	-69.4	-179.4	69.6	-174.8	1.9	102.1	H31 T35	H31-R33 PolarHBondContact O-N 3.28Å; R33-T35 PolarHBondContact O-N 2.89Å
34	V	31.7	Very low	50	Low	114 Å²	114	128.1 Å²	128.1	69%	0.691	64%	0.643	S	S	*	*			trans	-65.5	79	171.8	-177.2	0	0	0	0	105.2	A32 V36	A32-V34 PolarHBondContact O-N 3.3Å; V34-V36 HydrophobicContact CG1-CG2 3.71Å; V34-V36 PolarHBondContact O-N 3.49Å
35	T	36.6	Very low	51.3	Low	114 Å²	114	128.4 Å²	128.4	70%	0.699	63%	0.628	S	S	*	*			trans	-74.4	80.1	161.5	46.8	0	0	0	0	105.9	R33 K37	R33-T35 PolarHBondContact O-N 2.89Å; T35-K37 PolarHBondContact O-N 2.97Å
36	V	38.7	Very low	52.4	Low	46 Å²	46	128.2 Å²	128.2	28%	0.279	60%	0.604	S	S	.	*			trans	-37.2	117.6	157.8	173.8	0	0	0	0	106.9	V34 Y38	V34-V36 HydrophobicContact CG1-CG2 3.71Å; V34-V36 PolarHBondContact O-N 3.49Å; V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 HydrophobicContact CB-CD1 4.27Å; V36-Y38 HydrophobicContact CB-CE1 3.73Å; V36-Y38 HydrophobicContact CB-CE2 4.31Å; V36-Y38 HydrophobicContact CG1-CD1 3.78Å; V36-Y38 HydrophobicContact CG1-CE1 3.56Å; V36-Y38 WeakPolarHBondContact O-CD2 3.45Å; V36-Y38 WeakPolarHBondContact O-CE2 3.18Å; V36-Y38 PolarHBondContact O-N 2.97Å
37	K	50.2	Low	53.8	Low	193 Å²	193	125.8 Å²	125.8	84%	0.839	59%	0.591	S	S	*	*			trans	-72.4	89.2	177.6	178.7	174.5	165.7	179.6	0	107.9	T35 N39 Q119	T35-K37 PolarHBondContact O-N 2.97Å; K37-N39 PolarHBondContact O-N 3.33Å; K37-Q119 PolarHBondContact O-OE1 2.74Å
38	Y	48.2	Very low	55.1	Low	131 Å²	131	123 Å²	123	51%	0.514	58%	0.578	S	S	.	*			trans	-62.4	123.3	-175.9	-57	-74.6	0	0	0	111.3	V36 R40 L43	V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 HydrophobicContact CB-CD1 4.27Å; V36-Y38 HydrophobicContact CB-CE1 3.73Å; V36-Y38 HydrophobicContact CB-CE2 4.31Å; V36-Y38 HydrophobicContact CG1-CD1 3.78Å; V36-Y38 HydrophobicContact CG1-CE1 3.56Å; V36-Y38 WeakPolarHBondContact O-CD2 3.45Å; V36-Y38 WeakPolarHBondContact O-CE2 3.18Å; V36-Y38 PolarHBondContact O-N 2.97Å; Y38-R40 PolarHBondContact O-N 2.99Å; Y38-L43 HydrophobicContact CD1-CB 4.43Å; Y38-L43 HydrophobicContact CD1-CD1 3.7Å; Y38-L43 HydrophobicContact CD1-CD2 4.15Å; Y38-L43 HydrophobicContact CD1-CG 4.31Å; Y38-L43 HydrophobicContact CE1-CD1 3.98Å; Y38-L43 HydrophobicContact CG-CD1 4.38Å; Y38-L43 HydrophobicContact CG-CD2 3.98Å
39	N	60.7	Low	56.6	Low	97 Å²	97	118.4 Å²	118.4	52%	0.519	55%	0.548	S	S	.	.			trans	-74.1	114.9	158.9	-156.3	-23.6	0	0	0	106.8	K37 K41 E42 L43	K37-N39 PolarHBondContact O-N 3.33Å; N39-K41 PolarHBondContact O-N 3.47Å; N39-E42 HydrophobicContact CB-CB 3.99Å; N39-E42 WeakPolarHBondContact O-CA 3.34Å; N39-E42 WeakPolarHBondContact O-CB 3.34Å; N39-E42 PolarHBondContact O-N 2.82Å; N39-L43 PolarHBondContact O-N 2.96Å
40	R	67	Low	57.7	Low	211 Å²	211	113.7 Å²	113.7	80%	0.796	53%	0.528	S	S	*	.	H	α-helix	trans	-51.4	-35	-172.3	-178	177.5	179.5	178.3	1.5	113.1	Y38 Q44	Y38-R40 PolarHBondContact O-N 2.99Å; R40-Q44 VanDerWaalsContact O-CB 3.26Å; R40-Q44 WeakPolarHBondContact O-CB 3.47Å; R40-Q44 PolarHBondContact O-N 2.85Å
41	K	66.8	Low	59.2	Low	150 Å²	150	108.7 Å²	108.7	65%	0.652	51%	0.512	S	S	*	.	H	α-helix	trans	-70.4	-36.9	177.6	-64.1	-175.6	178.4	-179	0	112.7	N39 R45	N39-K41 PolarHBondContact O-N 3.47Å; K41-R45 WeakPolarHBondContact O-CG 3.26Å; K41-R45 PolarHBondContact O-N 3.37Å
42	E	67.3	Low	61.4	Low	35 Å²	35	103 Å²	103	16%	0.164	48%	0.484	C	S	.	.	H	α-helix	trans	-71.3	-45.6	177.5	-162.6	77.5	163.2	0	0	111	N39 Q44 R45 R46 H117	N39-E42 HydrophobicContact CB-CB 3.99Å; N39-E42 WeakPolarHBondContact O-CA 3.34Å; N39-E42 WeakPolarHBondContact O-CB 3.34Å; N39-E42 PolarHBondContact O-N 2.82Å; E42-Q44 PolarHBondContact O-N 3.47Å; E42-R45 WeakPolarHBondContact O-CB 3.14Å; E42-R45 PolarHBondContact O-N 3.11Å; E42-R45 VanDerWaalsContact O-N 3.12Å; E42-R45 IonicContact OE2-CZ 2.8Å; E42-R45 VanDerWaalsContact OE2-CZ 3.3Å; E42-R45 IonicContact OE2-NE 3.12Å; E42-R45 PolarHBondContact OE2-NE 3.15Å; E42-R45 VanDerWaalsContact OE2-NE 3.11Å; E42-R45 IonicContact OE2-NH2 3.33Å; E42-R45 PolarHBondContact OE2-NH2 3.19Å; E42-R46 PolarHBondContact O-N 3.25Å; E42-H117 PolarHBondContact OE1-N 3.32Å
43	L	68.8	Low	63.2	Low	62 Å²	62	99.4 Å²	99.4	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-39.2	175.2	-173.6	64.7	0	0	0	111	Y38 N39 R46 L47	Y38-L43 HydrophobicContact CD1-CB 4.43Å; Y38-L43 HydrophobicContact CD1-CD1 3.7Å; Y38-L43 HydrophobicContact CD1-CD2 4.15Å; Y38-L43 HydrophobicContact CD1-CG 4.31Å; Y38-L43 HydrophobicContact CE1-CD1 3.98Å; Y38-L43 HydrophobicContact CG-CD1 4.38Å; Y38-L43 HydrophobicContact CG-CD2 3.98Å; N39-L43 PolarHBondContact O-N 2.96Å; L43-R46 PolarHBondContact O-N 3.32Å; L43-L47 HydrophobicContact CG-CD1 4.28Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.22Å; L43-L47 PolarHBondContact O-N 3.4Å
44	Q	71	Confident	64.8	Low	129 Å²	129	94.5 Å²	94.5	60%	0.603	44%	0.443	S	S	*	.	H	α-helix	trans	-66.9	-39	175.4	-171.6	164.1	22.5	0	0	112.4	R40 E42 L47 D48	R40-Q44 VanDerWaalsContact O-CB 3.26Å; R40-Q44 WeakPolarHBondContact O-CB 3.47Å; R40-Q44 PolarHBondContact O-N 2.85Å; E42-Q44 PolarHBondContact O-N 3.47Å; Q44-L47 PolarHBondContact O-N 2.98Å; Q44-D48 WeakPolarHBondContact O-CB 3.43Å; Q44-D48 PolarHBondContact O-N 3.42Å
45	R	72.8	Confident	67.1	Low	113 Å²	113	94 Å²	94	43%	0.426	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-45.5	171.6	-77.6	-173.2	-80	-107.5	9.4	111	K41 E42 L47 D48 V49 G115 V116	K41-R45 WeakPolarHBondContact O-CG 3.26Å; K41-R45 PolarHBondContact O-N 3.37Å; E42-R45 WeakPolarHBondContact O-CB 3.14Å; E42-R45 PolarHBondContact O-N 3.11Å; E42-R45 VanDerWaalsContact O-N 3.12Å; E42-R45 IonicContact OE2-CZ 2.8Å; E42-R45 VanDerWaalsContact OE2-CZ 3.3Å; E42-R45 IonicContact OE2-NE 3.12Å; E42-R45 PolarHBondContact OE2-NE 3.15Å; E42-R45 VanDerWaalsContact OE2-NE 3.11Å; E42-R45 IonicContact OE2-NH2 3.33Å; E42-R45 PolarHBondContact OE2-NH2 3.19Å; R45-L47 PolarHBondContact O-N 2.92Å; R45-D48 WeakPolarHBondContact O-CB 3.4Å; R45-D48 PolarHBondContact O-N 3.38Å; R45-V49 VanDerWaalsContact O-CG2 3.32Å; R45-V49 WeakPolarHBondContact O-CG2 3.3Å; R45-V49 PolarHBondContact O-N 3.42Å; R45-G115 WeakPolarHBondContact CD-O 2.99Å; R45-G115 PolarHBondContact NE-O 2.81Å; R45-G115 VanDerWaalsContact NE-O 3.13Å; R45-V116 HydrophobicContact CB-CG2 4.11Å
46	R	71.1	Confident	68.8	Low	70 Å²	70	89.6 Å²	89.6	26%	0.264	41%	0.408	S	S	.	.	H	α-helix	trans	-59.4	-47.1	177.5	-176.2	170.7	176.8	146.4	-1.4	112.4	E42 L43 D48 V49 E50 D75	E42-R46 PolarHBondContact O-N 3.25Å; L43-R46 PolarHBondContact O-N 3.32Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-D48 PolarHBondContact O-N 2.98Å; R46-V49 PolarHBondContact O-N 3.02Å; R46-E50 WeakPolarHBondContact CG-OE1 3.42Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 3.24Å; R46-E50 VanDerWaalsContact NE-OE1 3.12Å; R46-E50 IonicContact NH2-OE1 3.42Å; R46-E50 WeakPolarHBondContact O-CG 3.39Å; R46-E50 PolarHBondContact O-N 3.45Å; R46-D75 IonicContact CZ-OD1 3.3Å; R46-D75 IonicContact CZ-OD2 2.74Å; R46-D75 VanDerWaalsContact CZ-OD2 3.24Å; R46-D75 IonicContact NH1-OD1 3.11Å; R46-D75 PolarHBondContact NH1-OD1 3.46Å; R46-D75 IonicContact NH1-OD2 4Å; R46-D75 PolarHBondContact NH1-OD2 3.02Å; R46-D75 IonicContact NH2-OD1 2.66Å; R46-D75 IonicContact NH2-OD2 2.77Å; R46-D75 PolarHBondContact NH2-OD2 3.08Å
47	L	72.8	Confident	70.4	Confident	92 Å²	92	88.9 Å²	88.9	48%	0.482	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-35.4	176.1	-69.7	169.8	0	0	0	112.7	L43 Q44 R45 K51	L43-L47 HydrophobicContact CG-CD1 4.28Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.22Å; L43-L47 PolarHBondContact O-N 3.4Å; Q44-L47 PolarHBondContact O-N 2.98Å; R45-L47 PolarHBondContact O-N 2.92Å; L47-K51 VanDerWaalsContact O-CB 3.24Å; L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 3.33Å
48	D	79.2	Confident	71.4	Confident	83 Å²	83	83.7 Å²	83.7	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.1	-171.1	-107.5	0	0	0	111.1	Q44 R45 R46 W52 K112	Q44-D48 WeakPolarHBondContact O-CB 3.43Å; Q44-D48 PolarHBondContact O-N 3.42Å; R45-D48 WeakPolarHBondContact O-CB 3.4Å; R45-D48 PolarHBondContact O-N 3.38Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-D48 PolarHBondContact O-N 2.98Å; D48-W52 WeakPolarHBondContact O-CB 3.35Å; D48-W52 PolarHBondContact O-N 2.85Å; D48-K112 IonicContact OD1-NZ 2.64Å; D48-K112 PolarHBondContact OD1-NZ 3.17Å
49	V	76.1	Confident	72.6	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-68	-46.5	176.3	-176.2	0	0	0	0	111.2	R45 R46 K51 W52 I53 I74 L109 K112 V116	R45-V49 VanDerWaalsContact O-CG2 3.32Å; R45-V49 WeakPolarHBondContact O-CG2 3.3Å; R45-V49 PolarHBondContact O-N 3.42Å; R46-V49 PolarHBondContact O-N 3.02Å; V49-K51 PolarHBondContact O-N 3.44Å; V49-W52 PolarHBondContact O-N 3.43Å; V49-I53 HydrophobicContact CG1-CD1 3.92Å; V49-I53 HydrophobicContact CG1-CG1 4.33Å; V49-I53 VanDerWaalsContact O-CG1 3.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 3.49Å; V49-I74 HydrophobicContact CB-CD1 4.17Å; V49-I74 HydrophobicContact CG1-CD1 3.48Å; V49-I74 VanDerWaalsContact CG1-CD1 3.48Å; V49-L109 HydrophobicContact CG1-CD1 3.67Å; V49-K112 HydrophobicContact CG1-CB 4.46Å; V49-K112 HydrophobicContact CG2-CB 3.77Å; V49-K112 HydrophobicContact CG2-CD 4.38Å; V49-K112 HydrophobicContact CG2-CG 4.44Å; V49-V116 HydrophobicContact CG2-CG2 4.18Å
50	E	77	Confident	73	Confident	68 Å²	68	82 Å²	82	32%	0.318	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-50.3	176.4	-74.9	171.7	-167.7	0	0	111	R46 W52 I53 D54 I74	R46-E50 WeakPolarHBondContact CG-OE1 3.42Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 3.24Å; R46-E50 VanDerWaalsContact NE-OE1 3.12Å; R46-E50 IonicContact NH2-OE1 3.42Å; R46-E50 WeakPolarHBondContact O-CG 3.39Å; R46-E50 PolarHBondContact O-N 3.45Å; E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.26Å; E50-I53 WeakPolarHBondContact O-CB 3.3Å; E50-I53 PolarHBondContact O-N 2.55Å; E50-D54 PolarHBondContact O-N 2.71Å; E50-I74 HydrophobicContact CG-CD1 4.49Å; E50-I74 HydrophobicContact CG-CG1 4Å
51	K	77.4	Confident	72.9	Confident	116 Å²	116	72.8 Å²	72.8	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178	-174.4	178.5	171.8	-67.7	0	112.6	L47 V49 I53 D54 E55	L47-K51 VanDerWaalsContact O-CB 3.24Å; L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 3.33Å; V49-K51 PolarHBondContact O-N 3.44Å; K51-I53 VanDerWaalsContact C-N 3.35Å; K51-D54 PolarHBondContact O-N 3.23Å; K51-E55 IonicContact NZ-OE1 2.86Å; K51-E55 PolarHBondContact NZ-OE1 3.04Å; K51-E55 IonicContact NZ-OE2 3.88Å; K51-E55 PolarHBondContact NZ-OE2 3.05Å; K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.49Å
52	W	82.6	Confident	72.8	Confident	39 Å²	39	74.2 Å²	74.2	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-68.5	-34.9	178.3	172.4	78.3	0	0	0	112.2	D48 V49 E50 S56 F105 E108 L109	D48-W52 WeakPolarHBondContact O-CB 3.35Å; D48-W52 PolarHBondContact O-N 2.85Å; V49-W52 PolarHBondContact O-N 3.43Å; E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.26Å; W52-S56 WeakPolarHBondContact O-CB 3.38Å; W52-S56 PolarHBondContact O-N 3.49Å; W52-S56 PolarHBondContact O-OG 3.06Å; W52-F105 HydrophobicContact CE3-CE2 4.4Å; W52-F105 AromaticContact CH2-CD2 3.54Å; W52-F105 HydrophobicContact CH2-CD2 3.54Å; W52-F105 AromaticContact CH2-CE2 3.7Å; W52-F105 HydrophobicContact CH2-CE2 3.7Å; W52-F105 HydrophobicContact CH2-CG 4.36Å; W52-F105 WeakPolarHBondContact CH2-O 3.24Å; W52-F105 HydrophobicContact CZ2-CD2 4.05Å; W52-F105 HydrophobicContact CZ2-CE2 4.4Å; W52-F105 HydrophobicContact CZ3-CD2 4.06Å; W52-F105 AromaticContact CZ3-CE2 3.7Å; W52-F105 HydrophobicContact CZ3-CE2 3.7Å; W52-F105 HydrophobicContact CZ3-CZ 4.4Å; W52-E108 HydrophobicContact CH2-CB 3.69Å; W52-E108 HydrophobicContact CH2-CG 4.09Å; W52-E108 HydrophobicContact CZ2-CB 3.6Å; W52-E108 HydrophobicContact CZ2-CG 3.58Å; W52-E108 VanDerWaalsContact CZ2-OE1 3.26Å; W52-E108 WeakPolarHBondContact CZ2-OE1 3.43Å; W52-E108 PolarHBondContact NE1-OE1 2.94Å; W52-L109 HydrophobicContact CH2-CB 4.02Å; W52-L109 HydrophobicContact CZ3-CB 3.71Å; W52-L109 HydrophobicContact CZ3-CD1 3.99Å; W52-L109 HydrophobicContact CZ3-CG 4.36Å
53	I	74	Confident	72.2	Confident	7 Å²	7	76.7 Å²	76.7	4%	0.036	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-48.7	171.8	-69.9	169	0	0	0	109.6	V49 E50 K51 E55 S56 L57 V72 I74 F105 L109	V49-I53 HydrophobicContact CG1-CD1 3.92Å; V49-I53 HydrophobicContact CG1-CG1 4.33Å; V49-I53 VanDerWaalsContact O-CG1 3.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 3.49Å; E50-I53 WeakPolarHBondContact O-CB 3.3Å; E50-I53 PolarHBondContact O-N 2.55Å; K51-I53 VanDerWaalsContact C-N 3.35Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.07Å; I53-S56 PolarHBondContact O-N 3.48Å; I53-L57 HydrophobicContact CG2-CD1 3.63Å; I53-L57 HydrophobicContact CG2-CG 4.07Å; I53-L57 WeakPolarHBondContact O-CB 3.09Å; I53-L57 VanDerWaalsContact O-CG 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.7Å; I53-V72 HydrophobicContact CD1-CB 4.3Å; I53-V72 HydrophobicContact CD1-CG1 4.14Å; I53-V72 HydrophobicContact CG2-CB 4.08Å; I53-V72 HydrophobicContact CG2-CG2 3.59Å; I53-I74 HydrophobicContact CD1-CD1 3.54Å; I53-F105 HydrophobicContact CG1-CE2 4.36Å; I53-F105 HydrophobicContact CG1-CZ 4.14Å; I53-F105 HydrophobicContact CG2-CZ 4.28Å; I53-L109 HydrophobicContact CD1-CD1 3.74Å; I53-L109 HydrophobicContact CD1-CD2 4.41Å; I53-L109 HydrophobicContact CG1-CD1 4.06Å
54	D	71.9	Confident	71.6	Confident	112 Å²	112	78.5 Å²	78.5	60%	0.599	39%	0.387	S	S	*	.	H	α-helix	trans	-57.5	-45.6	177.1	-79.2	-41.6	0	0	0	112.2	E50 K51 L57 D58	E50-D54 PolarHBondContact O-N 2.71Å; K51-D54 PolarHBondContact O-N 3.23Å; D54-L57 PolarHBondContact O-N 2.93Å; D54-D58 WeakPolarHBondContact O-CB 3.47Å; D54-D58 PolarHBondContact O-N 2.96Å
55	E	78.6	Confident	70.8	Confident	103 Å²	103	80.5 Å²	80.5	48%	0.481	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-39.3	177.7	-72.7	172.7	127.6	0	0	112	K51 I53 Q59	K51-E55 IonicContact NZ-OE1 2.86Å; K51-E55 PolarHBondContact NZ-OE1 3.04Å; K51-E55 IonicContact NZ-OE2 3.88Å; K51-E55 PolarHBondContact NZ-OE2 3.05Å; K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.49Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.07Å; E55-Q59 WeakPolarHBondContact O-CB 3.36Å; E55-Q59 PolarHBondContact O-N 2.64Å
56	S	73.9	Confident	69.8	Low	23 Å²	23	83.3 Å²	83.3	16%	0.161	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-40.9	176.6	-62.2	0	0	0	0	111.4	W52 I53 Q59 L60 F105	W52-S56 WeakPolarHBondContact O-CB 3.38Å; W52-S56 PolarHBondContact O-N 3.49Å; W52-S56 PolarHBondContact O-OG 3.06Å; I53-S56 PolarHBondContact O-N 3.48Å; S56-Q59 PolarHBondContact O-N 3.31Å; S56-L60 WeakPolarHBondContact O-CB 3.3Å; S56-L60 PolarHBondContact O-N 3.29Å; S56-F105 VanDerWaalsContact CB-CE2 3.48Å
57	L	70.4	Confident	68.9	Low	30 Å²	30	81.7 Å²	81.7	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-67.1	-43.7	175.4	-71.5	175.8	0	0	0	111.1	I53 D54 Q59 L60 Y61 P69 V72	I53-L57 HydrophobicContact CG2-CD1 3.63Å; I53-L57 HydrophobicContact CG2-CG 4.07Å; I53-L57 WeakPolarHBondContact O-CB 3.09Å; I53-L57 VanDerWaalsContact O-CG 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.7Å; D54-L57 PolarHBondContact O-N 2.93Å; L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 3.35Å; L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CD2-CD2 3.86Å; L57-Y61 HydrophobicContact CD2-CE2 3.64Å; L57-Y61 VanDerWaalsContact O-CB 3.24Å; L57-Y61 WeakPolarHBondContact O-CB 3.21Å; L57-Y61 WeakPolarHBondContact O-CD2 3.3Å; L57-Y61 PolarHBondContact O-N 2.88Å; L57-P69 HydrophobicContact CD2-CG 4.15Å; L57-V72 HydrophobicContact CD1-CG2 4.08Å
58	D	71.8	Confident	68	Low	84 Å²	84	83.6 Å²	83.6	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-56.1	-45.2	173.4	-179.6	-95.4	0	0	0	111	D54 R62	D54-D58 WeakPolarHBondContact O-CB 3.47Å; D54-D58 PolarHBondContact O-N 2.96Å; D58-R62 WeakPolarHBondContact O-CG 2.91Å; D58-R62 PolarHBondContact O-N 3.22Å; D58-R62 VanDerWaalsContact O-N 3.08Å; D58-R62 IonicContact OD1-CZ 2.64Å; D58-R62 IonicContact OD1-NE 2.88Å; D58-R62 PolarHBondContact OD1-NE 2.81Å; D58-R62 IonicContact OD1-NH2 2.68Å; D58-R62 PolarHBondContact OD1-NH2 3.36Å
59	Q	73.4	Confident	66.9	Low	135 Å²	135	80.9 Å²	80.9	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-68.2	-36.4	179.2	-171.7	61.9	51.3	0	0	112.6	E55 S56 L57	E55-Q59 WeakPolarHBondContact O-CB 3.36Å; E55-Q59 PolarHBondContact O-N 2.64Å; S56-Q59 PolarHBondContact O-N 3.31Å; L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.22Å
60	L	68.9	Low	65.9	Low	57 Å²	57	90 Å²	90	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-75.5	-38.8	178.9	-127.4	84.5	0	0	0	112.4	S56 L57 C98 T102	S56-L60 WeakPolarHBondContact O-CB 3.3Å; S56-L60 PolarHBondContact O-N 3.29Å; L57-L60 PolarHBondContact O-N 3.35Å; L60-C98 HydrophobicContact CD2-CB 4.27Å; L60-T102 HydrophobicContact CD2-CG2 4.37Å
61	Y	64.8	Low	65	Low	19 Å²	19	93.7 Å²	93.7	8%	0.075	47%	0.471	C	S	.	.	H	α-helix	trans	-100.1	9.2	-171.9	-77.2	-78.3	0	0	0	114.1	L57 G63 Q64 D67 P69 C98	L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CD2-CD2 3.86Å; L57-Y61 HydrophobicContact CD2-CE2 3.64Å; L57-Y61 VanDerWaalsContact O-CB 3.24Å; L57-Y61 WeakPolarHBondContact O-CB 3.21Å; L57-Y61 WeakPolarHBondContact O-CD2 3.3Å; L57-Y61 PolarHBondContact O-N 2.88Å; Y61-G63 PolarHBondContact O-N 2.81Å; Y61-Q64 HydrophobicContact CD1-CB 4.34Å; Y61-Q64 VanDerWaalsContact CD1-O 3.3Å; Y61-Q64 WeakPolarHBondContact CD1-O 2.97Å; Y61-Q64 PolarHBondContact O-N 3.37Å; Y61-D67 HydrophobicContact CD1-CB 4.29Å; Y61-D67 HydrophobicContact CE1-CB 3.64Å; Y61-D67 WeakPolarHBondContact CE1-O 3.5Å; Y61-D67 WeakPolarHBondContact CE1-OD1 3.43Å; Y61-D67 PolarHBondContact OH-O 2.77Å; Y61-D67 PolarHBondContact OH-OD1 3.18Å; Y61-P69 HydrophobicContact CE2-CG 4.14Å; Y61-P69 WeakPolarHBondContact OH-CD 3.22Å; Y61-C98 PolarHBondContact OH-SG 3.48Å
62	R	64.9	Low	64.5	Low	179 Å²	179	89.2 Å²	89.2	68%	0.675	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	96.4	172.4	-106	177.6	-156.5	-79.2	-14.9	111.2	D58	D58-R62 WeakPolarHBondContact O-CG 2.91Å; D58-R62 PolarHBondContact O-N 3.22Å; D58-R62 VanDerWaalsContact O-N 3.08Å; D58-R62 IonicContact OD1-CZ 2.64Å; D58-R62 IonicContact OD1-NE 2.88Å; D58-R62 PolarHBondContact OD1-NE 2.81Å; D58-R62 IonicContact OD1-NH2 2.68Å; D58-R62 PolarHBondContact OD1-NH2 3.36Å
63	G	54.8	Low	63.8	Low	87 Å²	87	91.1 Å²	91.1	90%	0.897	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	5.8	179.2	0	0	0	0	0	116.1	Y61	Y61-G63 PolarHBondContact O-N 2.81Å
64	Q	57.2	Low	63.6	Low	100 Å²	100	90.9 Å²	90.9	47%	0.467	47%	0.466	S	S	.	.			trans	-130.1	63.3	178.7	-158.5	176.1	-30	0	0	110.9	Y61 D66 D67	Y61-Q64 HydrophobicContact CD1-CB 4.34Å; Y61-Q64 VanDerWaalsContact CD1-O 3.3Å; Y61-Q64 WeakPolarHBondContact CD1-O 2.97Å; Y61-Q64 PolarHBondContact O-N 3.37Å; Q64-D66 PolarHBondContact O-N 3.37Å; Q64-D67 HydrophobicContact CG-CB 3.77Å; Q64-D67 PolarHBondContact O-N 3.43Å
65	E	53.9	Low	63.5	Low	172 Å²	172	88.8 Å²	88.8	80%	0.804	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64.7	-25.2	-177.3	-144.1	173.1	138.5	0	0	113.1	D67	E65-D67 VanDerWaalsContact C-N 3.25Å; E65-D67 PolarHBondContact O-N 2.89Å
66	D	51.8	Low	63.1	Low	172 Å²	172	87.5 Å²	87.5	92%	0.92	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-73.8	-13.7	-178.2	-142.9	-108	0	0	0	113.6	Q64	Q64-D66 PolarHBondContact O-N 3.37Å
67	D	51.4	Low	63	Low	36 Å²	36	86.6 Å²	86.6	19%	0.193	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-112.6	5.7	-173.3	-160.3	-93	0	0	0	112	Y61 Q64 E65 S97	Y61-D67 HydrophobicContact CD1-CB 4.29Å; Y61-D67 HydrophobicContact CE1-CB 3.64Å; Y61-D67 WeakPolarHBondContact CE1-O 3.5Å; Y61-D67 WeakPolarHBondContact CE1-OD1 3.43Å; Y61-D67 PolarHBondContact OH-O 2.77Å; Y61-D67 PolarHBondContact OH-OD1 3.18Å; Q64-D67 HydrophobicContact CG-CB 3.77Å; Q64-D67 PolarHBondContact O-N 3.43Å; E65-D67 VanDerWaalsContact C-N 3.25Å; E65-D67 PolarHBondContact O-N 2.89Å; D67-S97 VanDerWaalsContact CG-CB 3.46Å; D67-S97 WeakPolarHBondContact OD1-CB 3.33Å; D67-S97 PolarHBondContact OD1-OG 2.85Å; D67-S97 WeakPolarHBondContact OD2-CB 3.49Å; D67-S97 PolarHBondContact OD2-OG 3.2Å; D67-S97 VanDerWaalsContact OD2-OG 3.07Å
68	M	53.7	Low	62.9	Low	131 Å²	131	86 Å²	86	65%	0.645	44%	0.441	S	S	*	.			trans	-55	121.3	177	-175	177.3	-68.3	0	0	109.6
69	P	56.2	Low	62.8	Low	26 Å²	26	86.8 Å²	86.8	17%	0.169	45%	0.445	C	S	.	.			trans	-74.8	152.5	-175.6	28.6	-30.1	0	0	0	110.4	L57 Y61 E71 L94	L57-P69 HydrophobicContact CD2-CG 4.15Å; Y61-P69 HydrophobicContact CE2-CG 4.14Å; Y61-P69 WeakPolarHBondContact OH-CD 3.22Å; P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.92Å; P69-L94 HydrophobicContact CB-CD2 4.34Å; P69-L94 WeakPolarHBondContact CB-O 3.19Å
70	E	54.5	Low	62.7	Low	194 Å²	194	81.8 Å²	81.8	91%	0.907	42%	0.423	S	S	*	.	S	Bend	trans	-69.2	82.2	176.1	-149.9	-177.9	132.4	0	0	108.9
71	E	59.3	Low	62.6	Low	145 Å²	145	90.2 Å²	90.2	68%	0.678	45%	0.45	S	S	*	.			trans	46.6	114	165.4	-163.4	176	125	0	0	117.8	P69 N73	P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.92Å; E71-N73 PolarHBondContact O-N 3.3Å
72	V	65.7	Low	63	Low	22 Å²	22	91.7 Å²	91.7	13%	0.133	46%	0.461	C	S	.	.			trans	-74.8	99.4	177.6	-162	0	0	0	0	111.8	I53 L57 I74 L77 L90 L94	I53-V72 HydrophobicContact CD1-CB 4.3Å; I53-V72 HydrophobicContact CD1-CG1 4.14Å; I53-V72 HydrophobicContact CG2-CB 4.08Å; I53-V72 HydrophobicContact CG2-CG2 3.59Å; L57-V72 HydrophobicContact CD1-CG2 4.08Å; V72-I74 PolarHBondContact O-N 2.68Å; V72-L77 HydrophobicContact CG1-CD1 4.04Å; V72-L90 HydrophobicContact CG1-CD2 4.12Å; V72-L94 HydrophobicContact CB-CD2 3.73Å; V72-L94 HydrophobicContact CG1-CD2 3.88Å; V72-L94 HydrophobicContact CG2-CD2 3.34Å
73	N	68.2	Low	63.5	Low	79 Å²	79	86.3 Å²	86.3	42%	0.422	45%	0.446	S	S	.	.			trans	-77.8	105.8	176.5	-76.9	-62.8	0	0	0	112.6	E71 D75 D76 L77	E71-N73 PolarHBondContact O-N 3.3Å; N73-D75 VanDerWaalsContact C-N 3.29Å; N73-D75 PolarHBondContact O-N 3.08Å; N73-D76 HydrophobicContact CB-CB 3.93Å; N73-D76 PolarHBondContact O-N 3.26Å; N73-L77 PolarHBondContact O-N 3.31Å
74	I	71.1	Confident	64.6	Low	3 Å²	3	89.1 Å²	89.1	2%	0.015	44%	0.436	C	S	.	.	H	α-helix	trans	-57	-40.4	177.2	-56.3	-76.8	0	0	0	111.8	V49 E50 I53 V72 D76 L77 L78 L113 V116	V49-I74 HydrophobicContact CB-CD1 4.17Å; V49-I74 HydrophobicContact CG1-CD1 3.48Å; V49-I74 VanDerWaalsContact CG1-CD1 3.48Å; E50-I74 HydrophobicContact CG-CD1 4.49Å; E50-I74 HydrophobicContact CG-CG1 4Å; I53-I74 HydrophobicContact CD1-CD1 3.54Å; V72-I74 PolarHBondContact O-N 2.68Å; I74-D76 VanDerWaalsContact C-N 3.32Å; I74-D76 PolarHBondContact O-N 3.39Å; I74-L77 PolarHBondContact O-N 3.21Å; I74-L78 HydrophobicContact CG2-CD1 3.84Å; I74-L78 HydrophobicContact CG2-CG 4.42Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.42Å; I74-L78 VanDerWaalsContact O-N 3.08Å; I74-L113 HydrophobicContact CG2-CD2 4.06Å; I74-V116 HydrophobicContact CG2-CG1 4.42Å
75	D	68.5	Low	65.7	Low	68 Å²	68	89.1 Å²	89.1	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-64.9	-34.6	-179	-71.4	-55.4	0	0	0	112.8	R46 N73 L77 L78 D79	R46-D75 IonicContact CZ-OD1 3.3Å; R46-D75 IonicContact CZ-OD2 2.74Å; R46-D75 VanDerWaalsContact CZ-OD2 3.24Å; R46-D75 IonicContact NH1-OD1 3.11Å; R46-D75 PolarHBondContact NH1-OD1 3.46Å; R46-D75 IonicContact NH1-OD2 4Å; R46-D75 PolarHBondContact NH1-OD2 3.02Å; R46-D75 IonicContact NH2-OD1 2.66Å; R46-D75 IonicContact NH2-OD2 2.77Å; R46-D75 PolarHBondContact NH2-OD2 3.08Å; N73-D75 VanDerWaalsContact C-N 3.29Å; N73-D75 PolarHBondContact O-N 3.08Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L78 PolarHBondContact O-N 3.13Å; D75-D79 PolarHBondContact O-N 3Å
76	D	69.9	Low	66.7	Low	76 Å²	76	82.7 Å²	82.7	41%	0.406	40%	0.404	S	S	.	.	H	α-helix	trans	-68.7	-35.4	178.4	-118.2	-87.5	0	0	0	111.6	N73 I74 D79 K89	N73-D76 HydrophobicContact CB-CB 3.93Å; N73-D76 PolarHBondContact O-N 3.26Å; I74-D76 VanDerWaalsContact C-N 3.32Å; I74-D76 PolarHBondContact O-N 3.39Å; D76-D79 PolarHBondContact O-N 2.97Å; D76-K89 IonicContact OD1-NZ 3.88Å; D76-K89 PolarHBondContact OD1-NZ 2.77Å
77	L	72.1	Confident	67.9	Low	3 Å²	3	77.4 Å²	77.4	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-70.7	-34.5	173.8	-57.7	174.2	0	0	0	111.4	V72 N73 I74 D75 D79 R86 L90 L109 L113	V72-L77 HydrophobicContact CG1-CD1 4.04Å; N73-L77 PolarHBondContact O-N 3.31Å; I74-L77 PolarHBondContact O-N 3.21Å; D75-L77 VanDerWaalsContact C-N 3.34Å; L77-D79 VanDerWaalsContact C-N 3.32Å; L77-R86 VanDerWaalsContact O-CD 3.3Å; L77-R86 WeakPolarHBondContact O-CD 2.99Å; L77-R86 VanDerWaalsContact O-CG 3.22Å; L77-R86 WeakPolarHBondContact O-CG 3.34Å; L77-R86 PolarHBondContact O-NE 2.97Å; L77-L90 HydrophobicContact CD1-CD1 4.26Å; L77-L90 HydrophobicContact CD1-CD2 3.84Å; L77-L90 HydrophobicContact CD1-CG 4.25Å; L77-L90 HydrophobicContact CD2-CD1 4.13Å; L77-L90 HydrophobicContact CD2-CD2 3.87Å; L77-L90 HydrophobicContact CD2-CG 3.64Å; L77-L109 HydrophobicContact CD1-CD2 4.12Å; L77-L113 HydrophobicContact CB-CD1 3.89Å; L77-L113 HydrophobicContact CB-CD2 4.49Å; L77-L113 HydrophobicContact CD1-CD1 4.05Å
78	L	68.3	Low	69.2	Low	19 Å²	19	79.3 Å²	79.3	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-72.1	-25.4	176.2	-70.9	166.8	0	0	0	113.2	I74 D75 L80 L113 V116 K118	I74-L78 HydrophobicContact CG2-CD1 3.84Å; I74-L78 HydrophobicContact CG2-CG 4.42Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.42Å; I74-L78 VanDerWaalsContact O-N 3.08Å; D75-L78 PolarHBondContact O-N 3.13Å; L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 PolarHBondContact O-N 3.04Å; L78-L113 HydrophobicContact CD2-CD2 4.06Å; L78-L113 HydrophobicContact CG-CD2 4.16Å; L78-V116 HydrophobicContact CD1-CG1 3.8Å; L78-V116 HydrophobicContact CD2-CB 4.45Å; L78-V116 HydrophobicContact CD2-CG1 4.38Å; L78-V116 WeakPolarHBondContact CD2-O 3.46Å; L78-K118 HydrophobicContact CB-CB 4.2Å; L78-K118 HydrophobicContact CB-CG 4.2Å
79	D	69.1	Low	70.2	Confident	100 Å²	100	75.7 Å²	75.7	54%	0.535	37%	0.369	S	S	.	.	H	α-helix	trans	-68.1	-29.7	177.1	-161	-107.8	0	0	0	112.6	D75 D76 L77 R81 K118	D75-D79 PolarHBondContact O-N 3Å; D76-D79 PolarHBondContact O-N 2.97Å; L77-D79 VanDerWaalsContact C-N 3.32Å; D79-R81 PolarHBondContact O-N 2.86Å; D79-K118 IonicContact OD2-NZ 3.24Å; D79-K118 PolarHBondContact OD2-NZ 3.32Å
80	L	72.4	Confident	71.2	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	36%	0.361	C	S	.	.	S	Bend	trans	-67	133.6	176.9	-62.5	170.1	0	0	0	110.3	L78 E85 R86 K89	L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 PolarHBondContact O-N 3.04Å; L80-E85 HydrophobicContact CB-CB 4.3Å; L80-E85 HydrophobicContact CD1-CB 4.38Å; L80-E85 HydrophobicContact CD2-CB 4.21Å; L80-R86 HydrophobicContact CB-CG 3.68Å; L80-R86 HydrophobicContact CD1-CB 4.25Å; L80-R86 HydrophobicContact CD1-CG 3.85Å; L80-R86 HydrophobicContact CG-CG 4.4Å; L80-R86 VanDerWaalsContact O-CZ 3.26Å; L80-R86 PolarHBondContact O-NE 2.83Å; L80-R86 PolarHBondContact O-NH2 2.76Å; L80-K89 HydrophobicContact CD1-CB 3.96Å; L80-K89 HydrophobicContact CD1-CD 3.8Å
81	R	65.8	Low	72.1	Confident	234 Å²	234	70.9 Å²	70.9	88%	0.883	34%	0.342	S	S	*	.	S	Bend	trans	-76.6	-22.5	-175.3	-80.6	-179	175.6	-164.3	-2.3	113.8	D79	D79-R81 PolarHBondContact O-N 2.86Å
82	T	73.8	Confident	72.7	Confident	49 Å²	49	70.1 Å²	70.1	30%	0.301	34%	0.338	S	S	.	.	S	Bend	trans	-126	144.1	-174.6	61.9	0	0	0	0	111.7	E84 E85 R86	T82-E84 PolarHBondContact O-N 3.48Å; T82-E85 PolarHBondContact O-N 3.37Å; T82-E85 WeakPolarHBondContact OG1-CB 3.21Å; T82-E85 WeakPolarHBondContact OG1-CG 3.36Å; T82-E85 PolarHBondContact OG1-N 2.77Å; T82-E85 PolarHBondContact OG1-OE2 2.87Å; T82-R86 WeakPolarHBondContact O-CG 3.42Å; T82-R86 PolarHBondContact O-N 2.88Å
83	D	76.2	Confident	72.7	Confident	67 Å²	67	75.5 Å²	75.5	36%	0.358	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-33.2	174.3	-63.4	-56.9	0	0	0	111.8	R86 I87 V110	D83-R86 WeakPolarHBondContact O-CB 3.45Å; D83-R86 PolarHBondContact O-N 2.73Å; D83-R86 IonicContact OD1-CZ 2.71Å; D83-R86 IonicContact OD1-NH1 3.76Å; D83-R86 PolarHBondContact OD1-NH1 3.35Å; D83-I87 WeakPolarHBondContact O-CD1 3.3Å; D83-I87 WeakPolarHBondContact O-CG1 3.36Å; D83-I87 PolarHBondContact O-N 3.26Å; D83-V110 HydrophobicContact CB-CG1 3.92Å
84	E	78.6	Confident	72.6	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-65.3	-44.6	178.7	-62.6	162.5	134.1	0	0	111.7	T82 R86 I87 V88	T82-E84 PolarHBondContact O-N 3.48Å; E84-R86 VanDerWaalsContact C-N 3.31Å; E84-R86 PolarHBondContact O-N 3.4Å; E84-I87 PolarHBondContact O-N 2.87Å; E84-V88 VanDerWaalsContact O-CG2 3.29Å; E84-V88 WeakPolarHBondContact O-CG2 2.94Å; E84-V88 PolarHBondContact O-N 2.97Å
85	E	78.9	Confident	72.4	Confident	100 Å²	100	72.9 Å²	72.9	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-37.6	174.2	-75	174.3	104.5	0	0	111.6	L80 T82 I87 V88 K89	L80-E85 HydrophobicContact CB-CB 4.3Å; L80-E85 HydrophobicContact CD1-CB 4.38Å; L80-E85 HydrophobicContact CD2-CB 4.21Å; T82-E85 PolarHBondContact O-N 3.37Å; T82-E85 WeakPolarHBondContact OG1-CB 3.21Å; T82-E85 WeakPolarHBondContact OG1-CG 3.36Å; T82-E85 PolarHBondContact OG1-N 2.77Å; T82-E85 PolarHBondContact OG1-OE2 2.87Å; E85-I87 PolarHBondContact O-N 3.2Å; E85-V88 PolarHBondContact O-N 3.4Å; E85-K89 WeakPolarHBondContact O-CB 3.29Å; E85-K89 PolarHBondContact O-N 3.2Å
86	R	75.6	Confident	72	Confident	38 Å²	38	77 Å²	77	14%	0.143	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-47.1	175.7	-64.7	171.9	-172	138.4	-0.2	111.3	L77 L80 T82 D83 E84 V88 K89 L90	L77-R86 VanDerWaalsContact O-CD 3.3Å; L77-R86 WeakPolarHBondContact O-CD 2.99Å; L77-R86 VanDerWaalsContact O-CG 3.22Å; L77-R86 WeakPolarHBondContact O-CG 3.34Å; L77-R86 PolarHBondContact O-NE 2.97Å; L80-R86 HydrophobicContact CB-CG 3.68Å; L80-R86 HydrophobicContact CD1-CB 4.25Å; L80-R86 HydrophobicContact CD1-CG 3.85Å; L80-R86 HydrophobicContact CG-CG 4.4Å; L80-R86 VanDerWaalsContact O-CZ 3.26Å; L80-R86 PolarHBondContact O-NE 2.83Å; L80-R86 PolarHBondContact O-NH2 2.76Å; T82-R86 WeakPolarHBondContact O-CG 3.42Å; T82-R86 PolarHBondContact O-N 2.88Å; D83-R86 WeakPolarHBondContact O-CB 3.45Å; D83-R86 PolarHBondContact O-N 2.73Å; D83-R86 IonicContact OD1-CZ 2.71Å; D83-R86 IonicContact OD1-NH1 3.76Å; D83-R86 PolarHBondContact OD1-NH1 3.35Å; E84-R86 VanDerWaalsContact C-N 3.31Å; E84-R86 PolarHBondContact O-N 3.4Å; R86-V88 VanDerWaalsContact C-N 3.35Å; R86-K89 PolarHBondContact O-N 3.31Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 WeakPolarHBondContact O-CD1 3.47Å; R86-L90 VanDerWaalsContact O-CG 3.3Å; R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.05Å
87	I	76.8	Confident	71.4	Confident	61 Å²	61	76.2 Å²	76.2	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177.4	-68.2	166.6	0	0	0	110.5	D83 E84 E85 K91 I106 V110	D83-I87 WeakPolarHBondContact O-CD1 3.3Å; D83-I87 WeakPolarHBondContact O-CG1 3.36Å; D83-I87 PolarHBondContact O-N 3.26Å; E84-I87 PolarHBondContact O-N 2.87Å; E85-I87 PolarHBondContact O-N 3.2Å; I87-K91 VanDerWaalsContact O-CB 3.26Å; I87-K91 WeakPolarHBondContact O-CB 3.44Å; I87-K91 PolarHBondContact O-N 2.8Å; I87-I106 HydrophobicContact CB-CG2 3.88Å; I87-I106 HydrophobicContact CG1-CG2 3.62Å; I87-I106 HydrophobicContact CG2-CG2 3.75Å; I87-V110 HydrophobicContact CD1-CG2 4.3Å; I87-V110 HydrophobicContact CG1-CG2 3.63Å
88	V	78.6	Confident	70.7	Confident	75 Å²	75	77 Å²	77	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-48.3	-178.9	171.8	0	0	0	0	110.4	E84 E85 R86 L90 K91 Q92	E84-V88 VanDerWaalsContact O-CG2 3.29Å; E84-V88 WeakPolarHBondContact O-CG2 2.94Å; E84-V88 PolarHBondContact O-N 2.97Å; E85-V88 PolarHBondContact O-N 3.4Å; R86-V88 VanDerWaalsContact C-N 3.35Å; V88-L90 PolarHBondContact O-N 3.33Å; V88-K91 PolarHBondContact O-N 3.27Å; V88-K91 VanDerWaalsContact O-N 3.15Å; V88-Q92 WeakPolarHBondContact O-CB 3.43Å; V88-Q92 PolarHBondContact O-N 2.98Å
89	K	75.8	Confident	70.1	Confident	56 Å²	56	81 Å²	81	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-44.3	179.2	-166.2	174.8	-177.8	172.4	0	112	D76 L80 E85 R86 K91 Q92 E93	D76-K89 IonicContact OD1-NZ 3.88Å; D76-K89 PolarHBondContact OD1-NZ 2.77Å; L80-K89 HydrophobicContact CD1-CB 3.96Å; L80-K89 HydrophobicContact CD1-CD 3.8Å; E85-K89 WeakPolarHBondContact O-CB 3.29Å; E85-K89 PolarHBondContact O-N 3.2Å; R86-K89 PolarHBondContact O-N 3.31Å; K89-K91 VanDerWaalsContact C-N 3.31Å; K89-K91 PolarHBondContact O-N 2.78Å; K89-Q92 PolarHBondContact O-N 2.66Å; K89-E93 WeakPolarHBondContact CE-OE2 3.25Å; K89-E93 HydrophobicContact CG-CG 4.3Å; K89-E93 WeakPolarHBondContact CG-OE2 3.32Å; K89-E93 WeakPolarHBondContact O-CB 3.27Å; K89-E93 PolarHBondContact O-N 3.11Å
90	L	75.6	Confident	69.5	Low	0 Å²	0	81.9 Å²	81.9	0%	0	41%	0.405	C	S	.	.	I	π-helix	trans	-58.7	-43	173.7	-77.8	163.2	0	0	0	112.3	V72 L77 R86 V88 L94 L95 I106 L109	V72-L90 HydrophobicContact CG1-CD2 4.12Å; L77-L90 HydrophobicContact CD1-CD1 4.26Å; L77-L90 HydrophobicContact CD1-CD2 3.84Å; L77-L90 HydrophobicContact CD1-CG 4.25Å; L77-L90 HydrophobicContact CD2-CD1 4.13Å; L77-L90 HydrophobicContact CD2-CD2 3.87Å; L77-L90 HydrophobicContact CD2-CG 3.64Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 WeakPolarHBondContact O-CD1 3.47Å; R86-L90 VanDerWaalsContact O-CG 3.3Å; R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.05Å; V88-L90 PolarHBondContact O-N 3.33Å; L90-L94 HydrophobicContact CD2-CD1 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 2.72Å; L90-L95 WeakPolarHBondContact O-CB 3.25Å; L90-L95 PolarHBondContact O-N 2.67Å; L90-I106 HydrophobicContact CB-CG1 4.15Å; L90-I106 HydrophobicContact CD1-CG2 4.23Å; L90-L109 HydrophobicContact CD1-CD2 3.59Å; L90-L109 HydrophobicContact CD1-CG 4.13Å; L90-L109 HydrophobicContact CD2-CD2 3.52Å; L90-L109 HydrophobicContact CG-CD2 4.22Å
91	K	74.8	Confident	68.9	Low	118 Å²	118	86.4 Å²	86.4	51%	0.513	43%	0.43	S	S	.	.	I	π-helix	trans	-71.5	-35.7	-179.8	-168.5	176.2	178.5	177.6	0	112.8	I87 V88 K89 L95 H96 I106	I87-K91 VanDerWaalsContact O-CB 3.26Å; I87-K91 WeakPolarHBondContact O-CB 3.44Å; I87-K91 PolarHBondContact O-N 2.8Å; V88-K91 PolarHBondContact O-N 3.27Å; V88-K91 VanDerWaalsContact O-N 3.15Å; K89-K91 VanDerWaalsContact C-N 3.31Å; K89-K91 PolarHBondContact O-N 2.78Å; K91-L95 CarbonylContact O-C 3.41Å; K91-H96 PolarHBondContact O-N 2.64Å; K91-I106 HydrophobicContact CB-CD1 3.96Å; K91-I106 HydrophobicContact CG-CD1 4.38Å
92	Q	71.8	Confident	69.1	Low	129 Å²	129	76.1 Å²	76.1	60%	0.603	39%	0.393	S	S	*	.	I	π-helix	trans	-89.2	-35.3	-174.6	-105.4	176.3	-23.7	0	0	114.6	V88 K89 H96	V88-Q92 WeakPolarHBondContact O-CB 3.43Å; V88-Q92 PolarHBondContact O-N 2.98Å; K89-Q92 PolarHBondContact O-N 2.66Å; Q92-H96 WeakPolarHBondContact O-CB 3.5Å
93	E	65.5	Low	69.2	Low	135 Å²	135	79.8 Å²	79.8	63%	0.631	41%	0.406	S	S	*	.	I	π-helix	trans	-99.1	-43.5	-177	-65.7	-154.5	116.4	0	0	111.9	K89	K89-E93 WeakPolarHBondContact CE-OE2 3.25Å; K89-E93 HydrophobicContact CG-CG 4.3Å; K89-E93 WeakPolarHBondContact CG-OE2 3.32Å; K89-E93 WeakPolarHBondContact O-CB 3.27Å; K89-E93 PolarHBondContact O-N 3.11Å
94	L	64.7	Low	69.3	Low	22 Å²	22	78.8 Å²	78.8	12%	0.115	41%	0.408	C	S	.	.	I	π-helix	trans	-96.4	-29.7	-171.2	-77.6	118.7	0	0	0	114.2	P69 V72 L90	P69-L94 HydrophobicContact CB-CD2 4.34Å; P69-L94 WeakPolarHBondContact CB-O 3.19Å; V72-L94 HydrophobicContact CB-CD2 3.73Å; V72-L94 HydrophobicContact CG1-CD2 3.88Å; V72-L94 HydrophobicContact CG2-CD2 3.34Å; L90-L94 HydrophobicContact CD2-CD1 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 2.72Å
95	L	67.4	Low	69.2	Low	6 Å²	6	72.7 Å²	72.7	3%	0.031	38%	0.379	C	S	.	.	S	Bend	trans	-121.3	20.9	-173.2	-61.3	171.8	0	0	0	112.4	L90 K91 S97 C98 T102 F105 I106	L90-L95 WeakPolarHBondContact O-CB 3.25Å; L90-L95 PolarHBondContact O-N 2.67Å; K91-L95 CarbonylContact O-C 3.41Å; L95-S97 PolarHBondContact O-N 3.26Å; L95-C98 HydrophobicContact CB-CB 4.35Å; L95-C98 HydrophobicContact CD2-CB 4.13Å; L95-C98 PolarHBondContact O-N 3.33Å; L95-T102 HydrophobicContact CB-CG2 3.78Å; L95-T102 HydrophobicContact CD1-CG2 3.86Å; L95-T102 HydrophobicContact CD2-CG2 3.97Å; L95-T102 HydrophobicContact CG-CG2 4.06Å; L95-F105 HydrophobicContact CD1-CD1 3.72Å; L95-F105 HydrophobicContact CD1-CE1 4.09Å; L95-I106 HydrophobicContact CD1-CD1 3.9Å; L95-I106 HydrophobicContact CD1-CG1 3.7Å
96	H	61.6	Low	69.1	Low	153 Å²	153	68.1 Å²	68.1	71%	0.708	36%	0.358	S	S	*	.	S	Bend	trans	-60.7	-31.3	-176.6	-172.4	-101.2	0	0	0	113.3	K91 Q92	K91-H96 PolarHBondContact O-N 2.64Å; Q92-H96 WeakPolarHBondContact O-CB 3.5Å
97	S	56.6	Low	69.4	Low	61 Å²	61	72.6 Å²	72.6	43%	0.427	38%	0.378	S	S	.	.	S	Bend	trans	-100	-10.6	179.9	48.3	0	0	0	0	113.7	D67 L95 S99	D67-S97 VanDerWaalsContact CG-CB 3.46Å; D67-S97 WeakPolarHBondContact OD1-CB 3.33Å; D67-S97 PolarHBondContact OD1-OG 2.85Å; D67-S97 WeakPolarHBondContact OD2-CB 3.49Å; D67-S97 PolarHBondContact OD2-OG 3.2Å; D67-S97 VanDerWaalsContact OD2-OG 3.07Å; L95-S97 PolarHBondContact O-N 3.26Å; S97-S99 PolarHBondContact O-N 2.95Å
98	C	57.4	Low	69.6	Low	19 Å²	19	74.7 Å²	74.7	13%	0.128	39%	0.387	C	S	.	.			trans	-88.4	108.5	179.8	-88.8	0	0	0	0	112.2	L60 Y61 L95 T102	L60-C98 HydrophobicContact CD2-CB 4.27Å; Y61-C98 PolarHBondContact OH-SG 3.48Å; L95-C98 HydrophobicContact CB-CB 4.35Å; L95-C98 HydrophobicContact CD2-CB 4.13Å; L95-C98 PolarHBondContact O-N 3.33Å; C98-T102 HydrophobicContact CB-CG2 3.52Å; C98-T102 VanDerWaalsContact O-CG2 3.3Å; C98-T102 WeakPolarHBondContact O-CG2 3.22Å
99	S	54.4	Low	69.6	Low	102 Å²	102	71.1 Å²	71.1	71%	0.713	37%	0.365	S	S	*	.			trans	-91.2	-5.9	179.6	66.4	0	0	0	0	114.9	S97	S97-S99 PolarHBondContact O-N 2.95Å
100	N	56.7	Low	69.7	Low	120 Å²	120	69.2 Å²	69.2	64%	0.642	36%	0.358	S	S	*	.	S	Bend	trans	-116.7	116.1	-172.1	-64	-54.3	0	0	0	111.1	T102	N100-T102 VanDerWaalsContact C-N 3.35Å; N100-T102 PolarHBondContact O-N 3.12Å
101	N	60.6	Low	69.9	Low	125 Å²	125	72.4 Å²	72.4	67%	0.668	39%	0.385	S	S	*	.	S	Bend	trans	63.9	18.7	169.2	-111.4	-79.7	0	0	0	118.8	E103 A104 F105	N101-E103 VanDerWaalsContact C-N 3.3Å; N101-E103 PolarHBondContact O-N 2.99Å; N101-A104 PolarHBondContact O-N 2.86Å; N101-A104 WeakPolarHBondContact OD1-CB 3.4Å; N101-F105 PolarHBondContact O-N 2.96Å
102	T	70.8	Confident	69.8	Low	18 Å²	18	70.6 Å²	70.6	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-31.4	178.7	50.6	0	0	0	0	113.3	L60 L95 C98 N100 A104 F105 I106	L60-T102 HydrophobicContact CD2-CG2 4.37Å; L95-T102 HydrophobicContact CB-CG2 3.78Å; L95-T102 HydrophobicContact CD1-CG2 3.86Å; L95-T102 HydrophobicContact CD2-CG2 3.97Å; L95-T102 HydrophobicContact CG-CG2 4.06Å; C98-T102 HydrophobicContact CB-CG2 3.52Å; C98-T102 VanDerWaalsContact O-CG2 3.3Å; C98-T102 WeakPolarHBondContact O-CG2 3.22Å; N100-T102 VanDerWaalsContact C-N 3.35Å; N100-T102 PolarHBondContact O-N 3.12Å; T102-A104 PolarHBondContact O-N 3.2Å; T102-F105 PolarHBondContact O-N 3.38Å; T102-I106 WeakPolarHBondContact O-CB 3.34Å; T102-I106 VanDerWaalsContact O-CD1 3.3Å; T102-I106 WeakPolarHBondContact O-CD1 3.33Å; T102-I106 WeakPolarHBondContact O-CG1 3.14Å; T102-I106 PolarHBondContact O-N 2.95Å
103	E	75.1	Confident	69.8	Low	125 Å²	125	64.6 Å²	64.6	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-38	177.1	-78	-171.3	78.7	0	0	114.2	N101 K107	N101-E103 VanDerWaalsContact C-N 3.3Å; N101-E103 PolarHBondContact O-N 2.99Å; E103-K107 WeakPolarHBondContact O-CB 3.43Å; E103-K107 WeakPolarHBondContact O-CD 3.44Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.17Å; E103-K107 VanDerWaalsContact O-N 3.11Å; E103-K107 IonicContact OE1-NZ 2.78Å
104	A	77.9	Confident	69.7	Low	47 Å²	47	62.9 Å²	62.9	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-69.5	-46.2	178.6	0	0	0	0	0	110	N101 T102 I106 K107 E108	N101-A104 PolarHBondContact O-N 2.86Å; N101-A104 WeakPolarHBondContact OD1-CB 3.4Å; T102-A104 PolarHBondContact O-N 3.2Å; A104-I106 PolarHBondContact O-N 3.44Å; A104-K107 PolarHBondContact O-N 2.85Å; A104-E108 WeakPolarHBondContact O-CB 3.47Å; A104-E108 PolarHBondContact O-N 3.12Å
105	F	76.8	Confident	69.5	Low	16 Å²	16	63.5 Å²	63.5	7%	0.07	36%	0.359	C	S	.	.	H	α-helix	trans	-57.7	-49	174.7	174.5	-100.6	0	0	0	112.1	W52 I53 S56 L95 N101 T102 K107 E108 L109	W52-F105 HydrophobicContact CE3-CE2 4.4Å; W52-F105 AromaticContact CH2-CD2 3.54Å; W52-F105 HydrophobicContact CH2-CD2 3.54Å; W52-F105 AromaticContact CH2-CE2 3.7Å; W52-F105 HydrophobicContact CH2-CE2 3.7Å; W52-F105 HydrophobicContact CH2-CG 4.36Å; W52-F105 WeakPolarHBondContact CH2-O 3.24Å; W52-F105 HydrophobicContact CZ2-CD2 4.05Å; W52-F105 HydrophobicContact CZ2-CE2 4.4Å; W52-F105 HydrophobicContact CZ3-CD2 4.06Å; W52-F105 AromaticContact CZ3-CE2 3.7Å; W52-F105 HydrophobicContact CZ3-CE2 3.7Å; W52-F105 HydrophobicContact CZ3-CZ 4.4Å; I53-F105 HydrophobicContact CG1-CE2 4.36Å; I53-F105 HydrophobicContact CG1-CZ 4.14Å; I53-F105 HydrophobicContact CG2-CZ 4.28Å; S56-F105 VanDerWaalsContact CB-CE2 3.48Å; L95-F105 HydrophobicContact CD1-CD1 3.72Å; L95-F105 HydrophobicContact CD1-CE1 4.09Å; N101-F105 PolarHBondContact O-N 2.96Å; T102-F105 PolarHBondContact O-N 3.38Å; F105-K107 PolarHBondContact O-N 3.01Å; F105-E108 PolarHBondContact O-N 3.01Å; F105-L109 HydrophobicContact CE1-CD2 3.86Å; F105-L109 HydrophobicContact CZ-CD2 3.97Å; F105-L109 VanDerWaalsContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 PolarHBondContact O-N 3.5Å
106	I	77.8	Confident	69.3	Low	4 Å²	4	63.5 Å²	63.5	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-43.9	-179.2	-67.4	160.8	0	0	0	111.3	I87 L90 K91 L95 T102 A104 E108 L109 V110	I87-I106 HydrophobicContact CB-CG2 3.88Å; I87-I106 HydrophobicContact CG1-CG2 3.62Å; I87-I106 HydrophobicContact CG2-CG2 3.75Å; L90-I106 HydrophobicContact CB-CG1 4.15Å; L90-I106 HydrophobicContact CD1-CG2 4.23Å; K91-I106 HydrophobicContact CB-CD1 3.96Å; K91-I106 HydrophobicContact CG-CD1 4.38Å; L95-I106 HydrophobicContact CD1-CD1 3.9Å; L95-I106 HydrophobicContact CD1-CG1 3.7Å; T102-I106 WeakPolarHBondContact O-CB 3.34Å; T102-I106 VanDerWaalsContact O-CD1 3.3Å; T102-I106 WeakPolarHBondContact O-CD1 3.33Å; T102-I106 WeakPolarHBondContact O-CG1 3.14Å; T102-I106 PolarHBondContact O-N 2.95Å; A104-I106 PolarHBondContact O-N 3.44Å; I106-E108 VanDerWaalsContact C-N 3.3Å; I106-E108 PolarHBondContact O-N 2.74Å; I106-L109 PolarHBondContact O-N 2.77Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CB 3.44Å; I106-V110 VanDerWaalsContact O-CG2 3.22Å; I106-V110 WeakPolarHBondContact O-CG2 3.26Å; I106-V110 PolarHBondContact O-N 3.34Å
107	K	80.5	Confident	69.1	Low	132 Å²	132	62.1 Å²	62.1	57%	0.574	35%	0.352	S	S	*	.	H	α-helix	trans	-61.2	-41.3	177.6	-75.1	169.8	-172.7	166.2	0	111.7	E103 A104 F105 A111	E103-K107 WeakPolarHBondContact O-CB 3.43Å; E103-K107 WeakPolarHBondContact O-CD 3.44Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.17Å; E103-K107 VanDerWaalsContact O-N 3.11Å; E103-K107 IonicContact OE1-NZ 2.78Å; A104-K107 PolarHBondContact O-N 2.85Å; F105-K107 PolarHBondContact O-N 3.01Å; K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 2.96Å
108	E	82.3	Confident	69.1	Low	106 Å²	106	61.9 Å²	61.9	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-73	-37.3	-179	-156.5	159.3	103.5	0	0	111.4	W52 A104 F105 I106 A111 K112	W52-E108 HydrophobicContact CH2-CB 3.69Å; W52-E108 HydrophobicContact CH2-CG 4.09Å; W52-E108 HydrophobicContact CZ2-CB 3.6Å; W52-E108 HydrophobicContact CZ2-CG 3.58Å; W52-E108 VanDerWaalsContact CZ2-OE1 3.26Å; W52-E108 WeakPolarHBondContact CZ2-OE1 3.43Å; W52-E108 PolarHBondContact NE1-OE1 2.94Å; A104-E108 WeakPolarHBondContact O-CB 3.47Å; A104-E108 PolarHBondContact O-N 3.12Å; F105-E108 PolarHBondContact O-N 3.01Å; I106-E108 VanDerWaalsContact C-N 3.3Å; I106-E108 PolarHBondContact O-N 2.74Å; E108-A111 PolarHBondContact O-N 3.09Å; E108-K112 WeakPolarHBondContact O-CB 3.44Å; E108-K112 WeakPolarHBondContact O-CG 3.24Å; E108-K112 PolarHBondContact O-N 3.29Å
109	L	78.1	Confident	68.8	Low	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-45.9	172.7	-177.6	49.6	0	0	0	111.5	V49 W52 I53 L77 L90 F105 I106 K112 L113	V49-L109 HydrophobicContact CG1-CD1 3.67Å; W52-L109 HydrophobicContact CH2-CB 4.02Å; W52-L109 HydrophobicContact CZ3-CB 3.71Å; W52-L109 HydrophobicContact CZ3-CD1 3.99Å; W52-L109 HydrophobicContact CZ3-CG 4.36Å; I53-L109 HydrophobicContact CD1-CD1 3.74Å; I53-L109 HydrophobicContact CD1-CD2 4.41Å; I53-L109 HydrophobicContact CG1-CD1 4.06Å; L77-L109 HydrophobicContact CD1-CD2 4.12Å; L90-L109 HydrophobicContact CD1-CD2 3.59Å; L90-L109 HydrophobicContact CD1-CG 4.13Å; L90-L109 HydrophobicContact CD2-CD2 3.52Å; L90-L109 HydrophobicContact CG-CD2 4.22Å; F105-L109 HydrophobicContact CE1-CD2 3.86Å; F105-L109 HydrophobicContact CZ-CD2 3.97Å; F105-L109 VanDerWaalsContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 PolarHBondContact O-N 3.5Å; I106-L109 PolarHBondContact O-N 2.77Å; L109-K112 WeakPolarHBondContact O-CB 3.33Å; L109-K112 PolarHBondContact O-N 2.86Å; L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.39Å; L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 3.36Å
110	V	76.5	Confident	68.4	Low	15 Å²	15	65.3 Å²	65.3	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-43.6	175.8	172.3	0	0	0	0	111.1	D83 I87 I106 K112 L113 V114	D83-V110 HydrophobicContact CB-CG1 3.92Å; I87-V110 HydrophobicContact CD1-CG2 4.3Å; I87-V110 HydrophobicContact CG1-CG2 3.63Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CB 3.44Å; I106-V110 VanDerWaalsContact O-CG2 3.22Å; I106-V110 WeakPolarHBondContact O-CG2 3.26Å; I106-V110 PolarHBondContact O-N 3.34Å; V110-K112 PolarHBondContact O-N 2.92Å; V110-L113 WeakPolarHBondContact O-CB 3.38Å; V110-L113 PolarHBondContact O-N 3.4Å; V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 2.93Å
111	A	79.7	Confident	67.7	Low	68 Å²	68	66 Å²	66	56%	0.562	35%	0.351	S	S	*	.	H	α-helix	trans	-60.6	-35.9	176	0	0	0	0	0	112.3	K107 E108	K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 2.96Å; E108-A111 PolarHBondContact O-N 3.09Å
112	K	73.8	Confident	67	Low	79 Å²	79	67 Å²	67	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-70.6	-34.8	173.7	-73	-75.2	-169.9	163.2	0	112.3	D48 V49 E108 L109 V110 V116	D48-K112 IonicContact OD1-NZ 2.64Å; D48-K112 PolarHBondContact OD1-NZ 3.17Å; V49-K112 HydrophobicContact CG1-CB 4.46Å; V49-K112 HydrophobicContact CG2-CB 3.77Å; V49-K112 HydrophobicContact CG2-CD 4.38Å; V49-K112 HydrophobicContact CG2-CG 4.44Å; E108-K112 WeakPolarHBondContact O-CB 3.44Å; E108-K112 WeakPolarHBondContact O-CG 3.24Å; E108-K112 PolarHBondContact O-N 3.29Å; L109-K112 WeakPolarHBondContact O-CB 3.33Å; L109-K112 PolarHBondContact O-N 2.86Å; V110-K112 PolarHBondContact O-N 2.92Å; K112-V116 WeakPolarHBondContact O-CG2 3.11Å
113	L	71.3	Confident	65.9	Low	4 Å²	4	74.2 Å²	74.2	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-69.6	-28.3	176	-72.4	168	0	0	0	113.4	I74 L77 L78 L109 V110 G115 V116	I74-L113 HydrophobicContact CG2-CD2 4.06Å; L77-L113 HydrophobicContact CB-CD1 3.89Å; L77-L113 HydrophobicContact CB-CD2 4.49Å; L77-L113 HydrophobicContact CD1-CD1 4.05Å; L78-L113 HydrophobicContact CD2-CD2 4.06Å; L78-L113 HydrophobicContact CG-CD2 4.16Å; L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.39Å; L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 3.36Å; V110-L113 WeakPolarHBondContact O-CB 3.38Å; V110-L113 PolarHBondContact O-N 3.4Å; L113-G115 PolarHBondContact O-N 3.34Å; L113-V116 PolarHBondContact O-N 3.23Å
114	V	64.2	Low	64.5	Low	99 Å²	99	73.5 Å²	73.5	60%	0.6	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.9	177.2	171	0	0	0	0	113	V110	V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 2.93Å
115	G	60.6	Low	62.8	Low	34 Å²	34	80 Å²	80	35%	0.351	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.1	176.6	0	0	0	0	0	115.5	R45 L113	R45-G115 WeakPolarHBondContact CD-O 2.99Å; R45-G115 PolarHBondContact NE-O 2.81Å; R45-G115 VanDerWaalsContact NE-O 3.13Å; L113-G115 PolarHBondContact O-N 3.34Å
116	V	63.2	Low	61.5	Low	7 Å²	7	83 Å²	83	4%	0.042	45%	0.454	C	S	.	.			trans	-105.4	110.2	176.4	-177	0	0	0	0	105.8	R45 V49 I74 L78 K112 L113	R45-V116 HydrophobicContact CB-CG2 4.11Å; V49-V116 HydrophobicContact CG2-CG2 4.18Å; I74-V116 HydrophobicContact CG2-CG1 4.42Å; L78-V116 HydrophobicContact CD1-CG1 3.8Å; L78-V116 HydrophobicContact CD2-CB 4.45Å; L78-V116 HydrophobicContact CD2-CG1 4.38Å; L78-V116 WeakPolarHBondContact CD2-O 3.46Å; K112-V116 WeakPolarHBondContact O-CG2 3.11Å; L113-V116 PolarHBondContact O-N 3.23Å
117	H	57.7	Low	60.2	Low	123 Å²	123	90.8 Å²	90.8	57%	0.569	49%	0.494	S	S	*	.			trans	-96.6	141.2	175.3	-95.5	66.7	0	0	0	110.3	E42 Q119	E42-H117 PolarHBondContact OE1-N 3.32Å; H117-Q119 PolarHBondContact O-N 2.66Å
118	K	56	Low	58.7	Low	57 Å²	57	87.4 Å²	87.4	25%	0.248	50%	0.496	C	S	.	.			trans	-59	125.4	164.8	-145.1	-176.9	178.5	-154	0	106.7	L78 D79 E120	L78-K118 HydrophobicContact CB-CB 4.2Å; L78-K118 HydrophobicContact CB-CG 4.2Å; D79-K118 IonicContact OD2-NZ 3.24Å; D79-K118 PolarHBondContact OD2-NZ 3.32Å; K118-E120 HydrophobicContact CD-CG 4.31Å; K118-E120 WeakPolarHBondContact CD-OE2 3.14Å; K118-E120 WeakPolarHBondContact CE-OE2 3.28Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE2 2.98Å; K118-E120 PolarHBondContact NZ-OE2 2.73Å; K118-E120 PolarHBondContact O-N 2.79Å
119	Q	50	Low	57	Low	79 Å²	79	90.3 Å²	90.3	37%	0.369	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-66.7	11.8	-170.4	-155.2	-170.9	-107.2	0	0	114.6	K37 H117	K37-Q119 PolarHBondContact O-OE1 2.74Å; H117-Q119 PolarHBondContact O-N 2.66Å
120	E	47.1	Very low	55.7	Low	114 Å²	114	95.4 Å²	95.4	53%	0.533	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-81	-20.7	-172	-54	-157.8	93.4	0	0	112.9	K118 L122	K118-E120 HydrophobicContact CD-CG 4.31Å; K118-E120 WeakPolarHBondContact CD-OE2 3.14Å; K118-E120 WeakPolarHBondContact CE-OE2 3.28Å; K118-E120 HydrophobicContact CG-CG 4.21Å; K118-E120 IonicContact NZ-OE2 2.98Å; K118-E120 PolarHBondContact NZ-OE2 2.73Å; K118-E120 PolarHBondContact O-N 2.79Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 2.71Å
121	D	42.1	Very low	54.3	Low	135 Å²	135	98.5 Å²	98.5	72%	0.722	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-83.2	6.3	-179.1	-77.3	-69.4	0	0	0	115.5
122	L	46.1	Very low	52.8	Low	146 Å²	146	101.1 Å²	101.1	76%	0.764	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-97.7	15.2	171.3	-76.6	166.5	0	0	0	113.6	E120	E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 2.71Å
123	Q	47	Very low	51.2	Low	168 Å²	168	102.7 Å²	102.7	79%	0.785	59%	0.593	S	S	*	*			trans	-84.3	-4.9	170.1	-65.5	-164.4	4.4	0	0	114.2	E125	Q123-E125 PolarHBondContact O-N 3.25Å
124	S	45.5	Very low	50.1	Low	110 Å²	110	109.6 Å²	109.6	77%	0.769	63%	0.625	S	S	*	*			trans	-96.7	43.1	-173.3	-164.5	0	0	0	0	114.8
125	E	42.8	Very low	49.4	Very low	183 Å²	183	108.8 Å²	108.8	86%	0.855	62%	0.623	S	S	*	*	S	Bend	trans	-140.1	101.6	148.2	-74.1	-157.6	100.2	0	0	108.6	Q123 I127	Q123-E125 PolarHBondContact O-N 3.25Å; E125-I127 PolarHBondContact O-N 2.81Å; E125-I127 VanDerWaalsContact O-N 3.09Å
126	G	48.4	Very low	49.1	Very low	79 Å²	79	115 Å²	115	81%	0.814	65%	0.647	S	S	*	*			trans	-54.8	112.7	-178.8	0	0	0	0	0	111.9	G128	G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.63Å
127	I	50.5	Low	48.4	Very low	169 Å²	169	122.7 Å²	122.7	87%	0.867	68%	0.683	S	S	*	*			trans	-91.3	91.2	151.4	-57.5	167.1	0	0	0	103.9	E125 H129	E125-I127 PolarHBondContact O-N 2.81Å; E125-I127 VanDerWaalsContact O-N 3.09Å; I127-H129 PolarHBondContact O-N 3.37Å
128	G	49.3	Very low	47.9	Very low	60 Å²	60	126 Å²	126	62%	0.619	69%	0.69	S	S	*	*			trans	-44.4	128.9	175	0	0	0	0	0	109	G126 P130	G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.63Å; G128-P130 VanDerWaalsContact O-N 3.08Å
129	H	46.8	Very low	47.7	Very low	168 Å²	168	130.7 Å²	130.7	78%	0.778	71%	0.713	S	S	*	*			trans	-41.5	122.1	165.6	-138.1	-77.8	0	0	0	106.5	I127 A131	I127-H129 PolarHBondContact O-N 3.37Å; H129-A131 PolarHBondContact O-N 3.09Å
130	P	50.2	Low	47.8	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	72%	0.724	S	S	*	*			trans	-55.9	113.6	173.6	22.3	-30.2	0	0	0	104.5	G128 I132	G128-P130 VanDerWaalsContact O-N 3.08Å; P130-I132 VanDerWaalsContact C-N 3.31Å; P130-I132 PolarHBondContact O-N 2.69Å
131	A	48.7	Very low	48.3	Very low	81 Å²	81	130.9 Å²	130.9	67%	0.669	72%	0.719	S	S	*	*			trans	-53.1	109	174.5	0	0	0	0	0	104	H129 C133	H129-A131 PolarHBondContact O-N 3.09Å; A131-C133 PolarHBondContact O-N 2.74Å
132	I	48.3	Very low	48.4	Very low	123 Å²	123	134 Å²	134	63%	0.631	72%	0.722	S	S	*	*			trans	-64.6	95	164.7	-59.7	-177.5	0	0	0	101.5	P130 H134	P130-I132 VanDerWaalsContact C-N 3.31Å; P130-I132 PolarHBondContact O-N 2.69Å; I132-H134 PolarHBondContact O-CD2 2.94Å; I132-H134 VanDerWaalsContact O-CD2 3.25Å; I132-H134 PolarHBondContact O-N 2.68Å
133	C	40.6	Very low	48.9	Very low	111 Å²	111	134.9 Å²	134.9	75%	0.75	72%	0.722	S	S	*	*			trans	-60.7	88.6	164.2	-67.7	0	0	0	0	103.7	A131 S135	A131-C133 PolarHBondContact O-N 2.74Å; C133-S135 PolarHBondContact O-N 2.75Å
134	H	47.8	Very low	48.7	Very low	150 Å²	150	136.8 Å²	136.8	69%	0.694	73%	0.728	S	S	*	*			trans	-60.6	86.6	159.8	-74.1	-95.7	0	0	0	104	I132 L136	I132-H134 PolarHBondContact O-CD2 2.94Å; I132-H134 VanDerWaalsContact O-CD2 3.25Å; I132-H134 PolarHBondContact O-N 2.68Å; H134-L136 VanDerWaalsContact C-N 3.35Å; H134-L136 PolarHBondContact O-N 3.32Å
135	S	49	Very low	48.6	Very low	81 Å²	81	137.5 Å²	137.5	57%	0.566	72%	0.723	S	S	*	*			trans	-45.2	113.2	155.5	42	0	0	0	0	104.2	C133 H137	C133-S135 PolarHBondContact O-N 2.75Å; S135-H137 PolarHBondContact O-N 2.86Å; S135-H137 PolarHBondContact O-ND1 2.81Å; S135-H137 VanDerWaalsContact O-ND1 3.13Å
136	L	54.7	Low	48.7	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	72%	0.719	S	S	*	*			trans	-51.7	95.4	174	-91.5	80.9	0	0	0	106.1	H134 R138	H134-L136 VanDerWaalsContact C-N 3.35Å; H134-L136 PolarHBondContact O-N 3.32Å; L136-R138 PolarHBondContact O-N 2.9Å
137	H	47.3	Very low	49.1	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.787	71%	0.706	S	S	*	*			trans	-71.2	81.4	155.4	-75.9	72.2	0	0	0	103.2	S135 H139	S135-H137 PolarHBondContact O-N 2.86Å; S135-H137 PolarHBondContact O-ND1 2.81Å; S135-H137 VanDerWaalsContact O-ND1 3.13Å; H137-H139 VanDerWaalsContact C-N 3.35Å; H137-H139 PolarHBondContact O-N 3.02Å
138	R	48.2	Very low	48.7	Very low	191 Å²	191	136 Å²	136	72%	0.721	70%	0.703	S	S	*	*			trans	-44.6	105.5	167.7	-179	-170	-119.7	-124.1	5.5	105.9	L136 E140	L136-R138 PolarHBondContact O-N 2.9Å; R138-E140 IonicContact CZ-OE1 3.71Å; R138-E140 IonicContact NH1-OE1 3.85Å; R138-E140 PolarHBondContact NH1-OE1 2.66Å; R138-E140 PolarHBondContact O-N 3.13Å
139	H	52.5	Low	48.9	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.727	70%	0.704	S	S	*	*			trans	-59.7	103.9	165.1	-178.4	-88.5	0	0	0	106.2	H137 P141	H137-H139 VanDerWaalsContact C-N 3.35Å; H137-H139 PolarHBondContact O-N 3.02Å; H139-P141 WeakPolarHBondContact O-CD 3.11Å
140	E	51.5	Low	48.8	Very low	131 Å²	131	140.9 Å²	140.9	61%	0.612	71%	0.71	S	S	*	*			trans	-80.8	101.6	160.3	-79.1	-72	129.3	0	0	105.8	R138	R138-E140 IonicContact CZ-OE1 3.71Å; R138-E140 IonicContact NH1-OE1 3.85Å; R138-E140 PolarHBondContact NH1-OE1 2.66Å; R138-E140 PolarHBondContact O-N 3.13Å
141	P	56.5	Low	48.3	Very low	65 Å²	65	143.9 Å²	143.9	42%	0.422	71%	0.712	S	S	.	*			trans	-67.3	138.7	156.4	33.5	-28.4	0	0	0	105.1	H139	H139-P141 WeakPolarHBondContact O-CD 3.11Å
142	Y	45.6	Very low	48	Very low	202 Å²	202	146.3 Å²	146.3	79%	0.792	72%	0.721	S	S	*	*			trans	170.5	104.4	135.3	-87.7	-72.9	0	0	0	106.9
143	H	56.4	Low	47.7	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.755	73%	0.729	S	S	*	*				89.1	79.7	85.5	-138.3	-79.8	0	0	0	110.6	N145	H143-N145 PolarHBondContact O-N 3.06Å
144	F	43.3	Very low	47.9	Very low	208 Å²	208	148.2 Å²	148.2	91%	0.912	72%	0.723	S	S	*	*			trans	-73.8	90.3	168	-171.8	-93.9	0	0	0	108.6
145	N	42	Very low	47.4	Very low	125 Å²	125	152.6 Å²	152.6	67%	0.668	73%	0.733	S	S	*	*			trans	-163.6	105	147.9	-134	9.3	0	0	0	114.7	H143	H143-N145 PolarHBondContact O-N 3.06Å
146	N	44.4	Very low	47	Very low	144 Å²	144	152 Å²	152	77%	0.77	74%	0.74	S	S	*	*			trans	76	166.7	135.7	-124.6	30.6	0	0	0	121.1
147	P	57	Low	46.6	Very low	84 Å²	84	153 Å²	153	55%	0.545	74%	0.74	S	S	.	*				-133.9	121.6	-107.5	38.1	-16.7	0	0	0	113.3
148	Q	43.2	Very low	46.4	Very low	171 Å²	171	152.2 Å²	152.2	80%	0.799	74%	0.741	S	S	*	*			trans	-148.8	108.2	173.6	-140.4	92.1	5.5	0	0	112.9
149	H	52.8	Low	45.9	Very low	139 Å²	139	151.8 Å²	151.8	64%	0.644	75%	0.748	S	S	*	*			trans	13.5	121.5	139.2	-81.2	-98.4	0	0	0	116.9	F151	H149-F151 AromaticContact ND1-CE2 3.73Å
150	H	44.8	Very low	45.3	Very low	193 Å²	193	149.9 Å²	149.9	89%	0.894	75%	0.752	S	S	*	*			trans	-155.5	117.6	132.5	-82.7	-70.9	0	0	0	110
151	F	40.6	Very low	44.5	Very low	169 Å²	169	155.2 Å²	155.2	74%	0.741	78%	0.784	S	S	*	*			trans	-65.9	150.3	173.9	-65.2	-96.3	0	0	0	111.6	H149 H153	H149-F151 AromaticContact ND1-CE2 3.73Å; F151-H153 PolarHBondContact O-N 3.3Å
152	P	41.5	Very low	43.9	Very low	131 Å²	131	159.8 Å²	159.8	85%	0.851	80%	0.802	S	S	*	*			trans	-79.3	111	168.4	30.3	-28.1	0	0	0	109.9
153	H	42.6	Very low	43.8	Very low	173 Å²	173	157.5 Å²	157.5	80%	0.801	80%	0.802	S	S	*	*			trans	-78.8	147.3	166.8	-166.3	77.9	0	0	0	110.4	F151	F151-H153 PolarHBondContact O-N 3.3Å
154	T	44.8	Very low	43.1	Very low	102 Å²	102	157.2 Å²	157.2	63%	0.626	81%	0.805	S	S	*	*			trans	-57.1	162.9	-170.7	57.2	0	0	0	0	116.1
155	R	37	Very low	43.1	Very low	241 Å²	241	154.2 Å²	154.2	91%	0.909	80%	0.798	S	S	*	*			trans	111.3	104.2	132.4	-169	170.5	154.2	163.4	-5.9	115.9
156	G	39.3	Very low	43.2	Very low	68 Å²	68	156.1 Å²	156.1	70%	0.701	81%	0.807	S	S	*	*			trans	-157.7	86.5	161.1	0	0	0	0	0	110.7
157	H	48.3	Very low	43.1	Very low	185 Å²	185	156.9 Å²	156.9	86%	0.856	81%	0.809	S	S	*	*			trans	-139.2	107.2	159.2	-98.9	127.4	0	0	0	108.5
158	N	41.3	Very low	42.1	Very low	154 Å²	154	162.1 Å²	162.1	82%	0.824	83%	0.828	S	S	*	*			trans	-143.9	95.5	158	-62.4	-69.6	0	0	0	108.3
159	Q	38.5	Very low	42	Very low	183 Å²	183	161.4 Å²	161.4	86%	0.855	83%	0.83	S	S	*	*			trans	46.7	123.8	131	-60.9	-91.4	93.6	0	0	122.2
160	S	39.4	Very low	41.2	Very low	116 Å²	116	163.3 Å²	163.3	81%	0.811	85%	0.846	S	S	*	*			trans	163.3	125.1	133.7	-79.7	0	0	0	0	107.1
161	L	35.7	Very low	40.8	Very low	244 Å²	244	160.5 Å²	160.5	100%	1.277	84%	0.841	S	S	*	*			cis	-141.2	0	31.1	-124.1	79	0	0	0	110

Retrieved 161 of 161 residues in 44.5 ms (Link to these results)

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