A0A087YDW5_POEFO Loading...

Succinate dehydrogenase [ubiquinone] cytochrome b small subunit

Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). SDH also oxidizes malate to the non-canonical enol form of oxaloacetate, enol-oxaloacetate. Enol-oxaloacetate, which is a potent inhibitor of the succinate dehydrogenase activity, is further isomerized into keto-oxaloacetate.

AlphaFold DB (A0A3B3VJ30), UniProt , Accession A0A087YDW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 aa.

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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	44.5	Very low	44	Very low	251 Å²	251	147.5 Å²	147.5	100%	1.236	86%	0.861	S	S	*	*				0	94.3	0	-74	-101.3	-139.3	0	0	108.3
2	A	36	Very low	44.5	Very low	107 Å²	107	154.2 Å²	154.2	88%	0.884	86%	0.861	S	S	*	*			trans	-174.8	120.1	159.8	0	0	0	0	0	108.3
3	A	50	Low	44.1	Very low	96 Å²	96	160.8 Å²	160.8	79%	0.793	86%	0.864	S	S	*	*			trans	-89	145.4	180	0	0	0	0	0	110.4
4	I	46.7	Very low	44.2	Very low	167 Å²	167	154.7 Å²	154.7	86%	0.856	86%	0.858	S	S	*	*			trans	-134	113.6	159.6	-60.7	-177.8	0	0	0	109.5
5	V	45.9	Very low	43.9	Very low	119 Å²	119	152.3 Å²	152.3	72%	0.721	85%	0.849	S	S	*	*			trans	-62	136.6	168.6	169.7	0	0	0	0	110
6	R	41.3	Very low	43.9	Very low	237 Å²	237	154.8 Å²	154.8	89%	0.894	85%	0.848	S	S	*	*			trans	-116.5	117.5	160.2	-85.5	-153.5	172	-146.4	0.3	110.6
7	L	43.2	Very low	44.4	Very low	170 Å²	170	151.5 Å²	151.5	89%	0.89	84%	0.836	S	S	*	*			trans	-58	130.5	165.6	-84.4	89.5	0	0	0	109.8
8	S	39.8	Very low	44.8	Very low	111 Å²	111	151 Å²	151	78%	0.776	83%	0.831	S	S	*	*			trans	-106.4	120.3	162.6	35.9	0	0	0	0	108.4
9	S	45.3	Very low	44.9	Very low	124 Å²	124	154.7 Å²	154.7	87%	0.867	84%	0.838	S	S	*	*			trans	-88.6	120.9	168.2	175.6	0	0	0	0	108.3
10	V	52.3	Low	44.9	Very low	106 Å²	106	157.6 Å²	157.6	64%	0.642	84%	0.838	S	S	*	*			trans	-86.1	137.7	175.4	170.7	0	0	0	0	108.7	R12	V10-R12 HydrophobicContact CG1-CG 4.38Å
11	C	38.8	Very low	44.9	Very low	134 Å²	134	158.7 Å²	158.7	91%	0.905	84%	0.838	S	S	*	*			trans	-145	104.7	145.5	-131.1	0	0	0	0	110.8
12	R	50.7	Low	45	Very low	228 Å²	228	151.8 Å²	151.8	86%	0.86	82%	0.815	S	S	*	*			trans	-74.7	142.6	163.9	-66.3	-171.7	-127.2	-126.2	1.6	108.9	V10	V10-R12 HydrophobicContact CG1-CG 4.38Å
13	R	39.5	Very low	45.6	Very low	241 Å²	241	152.9 Å²	152.9	91%	0.909	81%	0.81	S	S	*	*			trans	-153	96	148.2	-137.1	172.1	-158.8	165.5	5.4	111.6
14	G	44.3	Very low	45.4	Very low	75 Å²	75	155.7 Å²	155.7	77%	0.773	81%	0.812	S	S	*	*			trans	-110.2	136.3	157.8	0	0	0	0	0	108.8
15	V	39.8	Very low	45.6	Very low	119 Å²	119	155.2 Å²	155.2	72%	0.721	81%	0.81	S	S	*	*			trans	-129.6	99.7	177.3	176.7	0	0	0	0	105.4
16	K	44.4	Very low	45.6	Very low	191 Å²	191	155.7 Å²	155.7	83%	0.83	81%	0.813	S	S	*	*				85.9	160.5	98.6	-79.6	-158.9	-175.4	-173.2	0	113.2
17	P	52.9	Low	45.9	Very low	100 Å²	100	155.6 Å²	155.6	65%	0.649	81%	0.812	S	S	*	*				-135.4	-159.7	-82.5	29.1	-2.8	0	0	0	111.2
18	L	51.3	Low	46.1	Very low	142 Å²	142	152 Å²	152	74%	0.743	80%	0.799	S	S	*	*			trans	86.2	108	161	-51.1	169.8	0	0	0	114.9
19	F	46.6	Very low	46.7	Very low	222 Å²	222	152.9 Å²	152.9	97%	0.974	80%	0.8	S	S	*	*				-146.7	146.8	108.2	-87.8	-69.5	0	0	0	110.7
20	Y	44.5	Very low	46.8	Very low	212 Å²	212	152.7 Å²	152.7	83%	0.831	79%	0.793	S	S	*	*			trans	-85.7	126.6	-167.4	-179.2	-90.9	0	0	0	109.6
21	Q	45.4	Very low	46.6	Very low	180 Å²	180	153.1 Å²	153.1	84%	0.841	80%	0.795	S	S	*	*			trans	-159.6	120	148.8	-133.8	170.5	-17	0	0	111.9
22	S	47.3	Very low	47.1	Very low	107 Å²	107	154.4 Å²	154.4	75%	0.748	79%	0.792	S	S	*	*			trans	-97.1	124.7	170	-142.6	0	0	0	0	107.6
23	T	48	Very low	46.9	Very low	129 Å²	129	149.9 Å²	149.9	79%	0.791	78%	0.781	S	S	*	*			trans	-142.9	139.7	159.1	44.1	0	0	0	0	110.4
24	L	46.3	Very low	47.2	Very low	156 Å²	156	146.5 Å²	146.5	82%	0.817	77%	0.773	S	S	*	*			trans	-70.5	163	-166.6	-67.4	169.2	0	0	0	114.6
25	L	50.6	Low	47.2	Very low	157 Å²	157	148.4 Å²	148.4	82%	0.822	76%	0.761	S	S	*	*			trans	64.2	112	151	-70.4	166.4	0	0	0	117.1
26	V	45.9	Very low	47.8	Very low	128 Å²	128	150.3 Å²	150.3	78%	0.776	76%	0.763	S	S	*	*				178.6	127.2	98.7	158.9	0	0	0	0	104.9	P28	V26-P28 WeakPolarHBondContact O-CD 3.21Å
27	R	47.8	Very low	47.8	Very low	236 Å²	236	147 Å²	147	89%	0.891	75%	0.75	S	S	*	*			trans	-89.8	103.6	176	-168.8	-176.7	-178.3	-159.9	0.5	106.6	V29	R27-V29 PolarHBondContact O-N 3.19Å
28	P	46.2	Very low	47.5	Very low	93 Å²	93	147.6 Å²	147.6	60%	0.604	75%	0.754	S	S	*	*			trans	-74	124.1	167.4	26.8	-20.4	0	0	0	106.5	V26 V30	V26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-V30 HydrophobicContact CB-CG2 4.36Å; P28-V30 HydrophobicContact CG-CG2 4.27Å; P28-V30 PolarHBondContact O-N 3.14Å
29	V	52.9	Low	47.5	Very low	131 Å²	131	148 Å²	148	79%	0.794	75%	0.752	S	S	*	*			trans	-63.2	93.8	158	172.6	0	0	0	0	105.3	R27 V31	R27-V29 PolarHBondContact O-N 3.19Å; V29-V31 PolarHBondContact O-N 3.12Å; V29-V31 VanDerWaalsContact O-N 3.12Å
30	V	47.2	Very low	48.1	Very low	119 Å²	119	142.9 Å²	142.9	72%	0.721	74%	0.741	S	S	*	*			trans	-73.1	103.1	168.7	177.3	0	0	0	0	105.4	P28 L32	P28-V30 HydrophobicContact CB-CG2 4.36Å; P28-V30 HydrophobicContact CG-CG2 4.27Å; P28-V30 PolarHBondContact O-N 3.14Å; V30-L32 PolarHBondContact O-N 2.76Å
31	V	49.1	Very low	48.9	Very low	115 Å²	115	140.9 Å²	140.9	70%	0.697	74%	0.743	S	S	*	*			trans	-47.8	121.3	161	173	0	0	0	0	106.7	V29 H33	V29-V31 PolarHBondContact O-N 3.12Å; V29-V31 VanDerWaalsContact O-N 3.12Å; V31-H33 PolarHBondContact O-N 2.93Å
32	L	49	Very low	49.7	Very low	161 Å²	161	137.6 Å²	137.6	84%	0.843	74%	0.736	S	S	*	*			trans	-64.8	86	169.3	-178.9	73.3	0	0	0	107.1	V30 K34	V30-L32 PolarHBondContact O-N 2.76Å; L32-K34 PolarHBondContact O-N 2.74Å; L32-K34 VanDerWaalsContact O-N 3.14Å
33	H	46.3	Very low	50.6	Low	134 Å²	134	136.7 Å²	136.7	62%	0.62	74%	0.735	S	S	*	*			trans	-65.2	112.2	161.5	-160.2	-69.3	0	0	0	105.1	V31 E35	V31-H33 PolarHBondContact O-N 2.93Å; H33-E35 IonicContact CE1-OE1 3.87Å; H33-E35 IonicContact ND1-OE1 3.83Å; H33-E35 PolarHBondContact O-N 2.88Å
34	K	44.6	Very low	51.2	Low	170 Å²	170	140.6 Å²	140.6	74%	0.739	74%	0.735	S	S	*	*			trans	-68.2	77.8	169	-171.5	176.6	-179.9	179.3	0	106.8	L32 Q36	L32-K34 PolarHBondContact O-N 2.74Å; L32-K34 VanDerWaalsContact O-N 3.14Å; K34-Q36 VanDerWaalsContact C-N 3.26Å; K34-Q36 PolarHBondContact O-N 3.36Å
35	E	46	Very low	52.5	Low	115 Å²	115	139.9 Å²	139.9	54%	0.537	73%	0.731	S	S	.	*			trans	-62.9	94	165.9	-95.8	-68.4	123.5	0	0	106.4	H33 Q37	H33-E35 IonicContact CE1-OE1 3.87Å; H33-E35 IonicContact ND1-OE1 3.83Å; H33-E35 PolarHBondContact O-N 2.88Å; E35-Q37 HydrophobicContact CB-CG 4.32Å; E35-Q37 PolarHBondContact O-N 2.83Å; E35-Q37 PolarHBondContact OE2-NE2 2.85Å
36	Q	50.4	Low	53.2	Low	159 Å²	159	140.4 Å²	140.4	74%	0.743	73%	0.729	S	S	*	*			trans	-71.6	74.4	166.6	-169.2	140.7	-45.7	0	0	107.2	K34 P38	K34-Q36 VanDerWaalsContact C-N 3.26Å; K34-Q36 PolarHBondContact O-N 3.36Å; Q36-P38 WeakPolarHBondContact O-CD 3.15Å; Q36-P38 VanDerWaalsContact O-N 3.15Å
37	Q	44.5	Very low	54.3	Low	122 Å²	122	139 Å²	139	57%	0.57	72%	0.724	S	S	*	*			trans	-59.7	110.4	169.6	-71.7	-82.8	-58.6	0	0	107	E35 H39	E35-Q37 HydrophobicContact CB-CG 4.32Å; E35-Q37 PolarHBondContact O-N 2.83Å; E35-Q37 PolarHBondContact OE2-NE2 2.85Å; Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 2.91Å; Q37-H39 PolarHBondContact O-ND1 3.14Å; Q37-H39 VanDerWaalsContact O-ND1 3.14Å
38	P	46.7	Very low	55.3	Low	112 Å²	112	132.7 Å²	132.7	73%	0.727	72%	0.716	S	S	*	*			trans	-65.8	104.7	166.2	-2.4	19.4	0	0	0	104.3	Q36 P40	Q36-P38 WeakPolarHBondContact O-CD 3.15Å; Q36-P38 VanDerWaalsContact O-N 3.15Å; P38-P40 WeakPolarHBondContact O-CD 3.12Å
39	H	52.9	Low	56.2	Low	151 Å²	151	133.5 Å²	133.5	70%	0.699	72%	0.722	S	S	*	*			trans	-57.5	115	171.8	-63.6	5.6	0	0	0	105.7	Q37 L41	Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 2.91Å; Q37-H39 PolarHBondContact O-ND1 3.14Å; Q37-H39 VanDerWaalsContact O-ND1 3.14Å; H39-L41 PolarHBondContact O-N 2.76Å
40	P	59.1	Low	56.5	Low	114 Å²	114	132.5 Å²	132.5	74%	0.74	72%	0.718	S	S	*	*			trans	-74	84	171.3	30.9	-27.3	0	0	0	105.1	P38 T42	P38-P40 WeakPolarHBondContact O-CD 3.12Å; P40-T42 PolarHBondContact O-N 3.39Å
41	L	60.2	Low	57.1	Low	169 Å²	169	134.3 Å²	134.3	89%	0.885	72%	0.723	S	S	*	*			trans	-70.9	62.4	159.6	-86.9	165.5	0	0	0	107.1	H39	H39-L41 PolarHBondContact O-N 2.76Å
42	T	62.4	Low	57.4	Low	111 Å²	111	140 Å²	140	68%	0.681	73%	0.733	S	S	*	*			trans	-113.6	93.4	171.4	-40.6	0	0	0	0	104.3	P40 R44	P40-T42 PolarHBondContact O-N 3.39Å; T42-R44 VanDerWaalsContact C-N 3.28Å; T42-R44 PolarHBondContact O-N 3.35Å
43	A	67.4	Low	57.7	Low	89 Å²	89	136.2 Å²	136.2	74%	0.736	73%	0.725	S	S	*	*			trans	-53.9	104.8	160.6	0	0	0	0	0	106	I45	A43-I45 VanDerWaalsContact C-N 3.27Å; A43-I45 PolarHBondContact O-N 3.44Å
44	R	59.5	Low	58.3	Low	210 Å²	210	133.7 Å²	133.7	79%	0.792	74%	0.735	S	S	*	*			trans	-71.8	92.6	178.9	-167.9	177.3	-161.4	163.6	4.3	106.3	T42 H46	T42-R44 VanDerWaalsContact C-N 3.28Å; T42-R44 PolarHBondContact O-N 3.35Å; R44-H46 PolarHBondContact O-N 3.46Å
45	I	73.6	Confident	59.1	Low	142 Å²	142	130.6 Å²	130.6	73%	0.728	74%	0.735	S	S	*	*			trans	-66.2	108.7	171.5	-59.2	174.5	0	0	0	105.3	A43 S47	A43-I45 VanDerWaalsContact C-N 3.27Å; A43-I45 PolarHBondContact O-N 3.44Å; I45-S47 PolarHBondContact O-N 3.18Å
46	H	65.1	Low	60.3	Low	168 Å²	168	133.3 Å²	133.3	78%	0.778	75%	0.753	S	S	*	*			trans	-69.6	82.2	167.4	-83.6	-115.2	0	0	0	107.4	R44 S48	R44-H46 PolarHBondContact O-N 3.46Å; H46-S48 PolarHBondContact O-N 3.04Å
47	S	69.7	Low	62	Low	98 Å²	98	129.3 Å²	129.3	69%	0.685	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-70.7	122.3	164.3	53.5	0	0	0	0	107.6	I45	I45-S47 PolarHBondContact O-N 3.18Å
48	S	67.6	Low	64.3	Low	103 Å²	103	129 Å²	129	72%	0.72	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-47.5	140.7	166.8	-35.7	0	0	0	0	109.1	H46	H46-S48 PolarHBondContact O-N 3.04Å
49	P	65.9	Low	66.5	Low	111 Å²	111	126.2 Å²	126.2	72%	0.721	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-51.1	134.9	171.4	-22	31.5	0	0	0	108.9	L51	P49-L51 PolarHBondContact O-N 2.84Å
50	P	59.7	Low	68.4	Low	109 Å²	109	122.9 Å²	122.9	71%	0.708	73%	0.73	S	S	*	*			trans	-61.3	106.3	174.4	25.7	-31.4	0	0	0	106.7	Y52	P50-Y52 PolarHBondContact O-N 2.83Å; P50-Y52 VanDerWaalsContact O-N 3.07Å
51	L	59.6	Low	70.1	Confident	158 Å²	158	120.4 Å²	120.4	83%	0.827	72%	0.715	S	S	*	*			trans	-62.3	113.2	161.3	-75.4	171.3	0	0	0	104.5	P49 A53	P49-L51 PolarHBondContact O-N 2.84Å; L51-A53 PolarHBondContact O-N 2.85Å
52	Y	55.4	Low	71.9	Confident	235 Å²	235	117.7 Å²	117.7	92%	0.922	70%	0.701	S	S	*	*			trans	-63.4	68.2	164.9	-86.5	-91.1	0	0	0	108.2	P50	P50-Y52 PolarHBondContact O-N 2.83Å; P50-Y52 VanDerWaalsContact O-N 3.07Å
53	A	56.2	Low	73.6	Confident	81 Å²	81	115.8 Å²	115.8	67%	0.669	69%	0.685	S	S	*	*			trans	-95.6	122.6	170.5	0	0	0	0	0	106	L51	L51-A53 PolarHBondContact O-N 2.85Å
54	G	58.3	Low	75	Confident	81 Å²	81	119 Å²	119	84%	0.835	68%	0.678	S	S	*	*	S	Bend	trans	-54.4	149.5	-159.7	0	0	0	0	0	116.5
55	S	60.8	Low	76.9	Confident	104 Å²	104	112.2 Å²	112.2	73%	0.727	66%	0.66	S	S	*	*			trans	87.4	101.1	177.4	-159.5	0	0	0	0	114.9	S57	S55-S57 PolarHBondContact O-N 2.97Å
56	D	71.8	Confident	78.1	Confident	173 Å²	173	107.2 Å²	107.2	93%	0.925	64%	0.64	S	S	*	*			trans	-67.8	55.7	166.2	-67.3	-38.3	0	0	0	111
57	S	85.8	Confident	79.7	Confident	75 Å²	75	99.8 Å²	99.8	52%	0.524	61%	0.605	S	S	.	*			trans	-92.7	117.3	179.8	-178.9	0	0	0	0	110.3	S55 A59	S55-S57 PolarHBondContact O-N 2.97Å; S57-A59 PolarHBondContact O-N 3.33Å; S57-A59 VanDerWaalsContact O-N 3.14Å; S57-A59 WeakPolarHBondContact OG-CB 3.31Å; S57-A59 PolarHBondContact OG-N 3.45Å
58	N	92.3	Very high	81.1	Confident	114 Å²	114	99.5 Å²	99.5	61%	0.61	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	8.4	174	-67.9	-48.3	0	0	0	113.2	A60 S61 L62	N58-A60 PolarHBondContact O-N 3.44Å; N58-S61 PolarHBondContact O-N 3.21Å; N58-S61 VanDerWaalsContact O-N 3.11Å; N58-S61 PolarHBondContact O-OG 2.91Å; N58-L62 HydrophobicContact CB-CD1 4.32Å; N58-L62 HydrophobicContact CB-CG 4.26Å; N58-L62 WeakPolarHBondContact O-CG 3.48Å; N58-L62 PolarHBondContact O-N 3.32Å
59	A	92.9	Very high	82.5	Confident	55 Å²	55	99 Å²	99	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-54.5	-43.7	-171.6	0	0	0	0	0	114	S57 L62 H63	S57-A59 PolarHBondContact O-N 3.33Å; S57-A59 VanDerWaalsContact O-N 3.14Å; S57-A59 WeakPolarHBondContact OG-CB 3.31Å; S57-A59 PolarHBondContact OG-N 3.45Å; A59-L62 PolarHBondContact O-N 3.26Å; A59-H63 VanDerWaalsContact O-CB 3.29Å; A59-H63 WeakPolarHBondContact O-CB 3.47Å; A59-H63 PolarHBondContact O-N 3.39Å
60	A	93.4	Very high	84.1	Confident	81 Å²	81	94.9 Å²	94.9	67%	0.669	55%	0.553	S	S	*	*	H	α-helix	trans	-65.2	-42.9	178.9	0	0	0	0	0	112.1	N58 H63 W64	N58-A60 PolarHBondContact O-N 3.44Å; A60-H63 PolarHBondContact O-N 3.38Å; A60-W64 PolarHBondContact O-N 2.83Å
61	S	95.3	Very high	86	Confident	61 Å²	61	91.4 Å²	91.4	43%	0.427	53%	0.531	S	S	.	.	H	α-helix	trans	-68.7	-36.2	177.6	70.3	0	0	0	0	112.8	N58 T65	N58-S61 PolarHBondContact O-N 3.21Å; N58-S61 VanDerWaalsContact O-N 3.11Å; N58-S61 PolarHBondContact O-OG 2.91Å; S61-T65 WeakPolarHBondContact O-CB 3.42Å; S61-T65 PolarHBondContact O-N 3.38Å; S61-T65 PolarHBondContact O-OG1 3.34Å
62	L	97.3	Very high	87.8	Confident	113 Å²	113	89.4 Å²	89.4	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-67.9	-41.6	174.5	-70.7	177.2	0	0	0	111	N58 A59 T65 A66	N58-L62 HydrophobicContact CB-CD1 4.32Å; N58-L62 HydrophobicContact CB-CG 4.26Å; N58-L62 WeakPolarHBondContact O-CG 3.48Å; N58-L62 PolarHBondContact O-N 3.32Å; A59-L62 PolarHBondContact O-N 3.26Å; L62-T65 PolarHBondContact O-N 3.03Å; L62-A66 WeakPolarHBondContact O-CB 3.18Å; L62-A66 PolarHBondContact O-N 3.37Å
63	H	97.4	Very high	89.9	Confident	71 Å²	71	80.3 Å²	80.3	33%	0.329	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-48.2	175.4	-179.2	-100.5	0	0	0	111	A59 A60 T65 A66 E67 W103	A59-H63 VanDerWaalsContact O-CB 3.29Å; A59-H63 WeakPolarHBondContact O-CB 3.47Å; A59-H63 PolarHBondContact O-N 3.39Å; A60-H63 PolarHBondContact O-N 3.38Å; H63-T65 VanDerWaalsContact C-N 3.3Å; H63-T65 PolarHBondContact O-N 3.23Å; H63-A66 WeakPolarHBondContact O-CB 3.23Å; H63-A66 PolarHBondContact O-N 2.96Å; H63-A66 VanDerWaalsContact O-N 3.16Å; H63-E67 IonicContact CE1-OE1 3.14Å; H63-E67 PolarHBondContact CE1-OE1 3.3Å; H63-E67 IonicContact ND1-OE1 3.76Å; H63-E67 WeakPolarHBondContact O-CG 3.28Å; H63-E67 PolarHBondContact O-N 3.4Å; H63-W103 AromaticContact NE2-CD1 3.4Å; H63-W103 AromaticContact NE2-CD2 3.88Å; H63-W103 AromaticContact NE2-CE2 3.74Å; H63-W103 AromaticContact NE2-CG 3.69Å; H63-W103 AromaticContact NE2-NE1 3.43Å; H63-W103 PolarHBondContact NE2-NE1 3.01Å
64	W	98.3	Very high	91.9	Very high	155 Å²	155	77.9 Å²	77.9	59%	0.587	47%	0.469	S	S	*	.	H	α-helix	trans	-56.3	-43.9	174.2	-178.3	90.6	0	0	0	112.4	A60 E67 R68	A60-W64 PolarHBondContact O-N 2.83Å; W64-E67 PolarHBondContact O-N 3.04Å; W64-R68 HydrophobicContact CD2-CG 4.41Å; W64-R68 HydrophobicContact CE3-CG 4.32Å; W64-R68 HydrophobicContact CH2-CG 4.02Å; W64-R68 HydrophobicContact CZ2-CG 4.1Å; W64-R68 HydrophobicContact CZ3-CG 4.13Å; W64-R68 VanDerWaalsContact NE1-NH1 3.19Å; W64-R68 WeakPolarHBondContact O-CG 3.22Å; W64-R68 PolarHBondContact O-N 3.22Å; W64-R68 PolarHBondContact O-NH1 2.87Å
65	T	98.6	Very high	93.8	Very high	68 Å²	68	80.5 Å²	80.5	42%	0.417	46%	0.464	S	S	.	.	H	α-helix	trans	-65.4	-43.4	178.7	-56.8	0	0	0	0	111.1	S61 L62 H63 E67 R68 V69	S61-T65 WeakPolarHBondContact O-CB 3.42Å; S61-T65 PolarHBondContact O-N 3.38Å; S61-T65 PolarHBondContact O-OG1 3.34Å; L62-T65 PolarHBondContact O-N 3.03Å; H63-T65 VanDerWaalsContact C-N 3.3Å; H63-T65 PolarHBondContact O-N 3.23Å; T65-E67 VanDerWaalsContact C-N 3.32Å; T65-E67 PolarHBondContact O-N 3.48Å; T65-R68 PolarHBondContact O-N 2.74Å; T65-R68 VanDerWaalsContact O-N 3.13Å; T65-V69 HydrophobicContact CG2-CG2 4.46Å; T65-V69 WeakPolarHBondContact O-CG2 3.32Å; T65-V69 PolarHBondContact O-N 3.33Å
66	A	98.4	Very high	95.6	Very high	37 Å²	37	78 Å²	78	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-40	178.3	0	0	0	0	0	112	L62 H63 R68 V69 L70 W103	L62-A66 WeakPolarHBondContact O-CB 3.18Å; L62-A66 PolarHBondContact O-N 3.37Å; H63-A66 WeakPolarHBondContact O-CB 3.23Å; H63-A66 PolarHBondContact O-N 2.96Å; H63-A66 VanDerWaalsContact O-N 3.16Å; A66-R68 VanDerWaalsContact C-N 3.3Å; A66-R68 PolarHBondContact O-N 3.05Å; A66-V69 PolarHBondContact O-N 2.98Å; A66-L70 WeakPolarHBondContact O-CB 3.5Å; A66-L70 PolarHBondContact O-N 2.92Å; A66-W103 HydrophobicContact CB-CH2 3.99Å; A66-W103 HydrophobicContact CB-CZ3 4.22Å
67	E	98.6	Very high	96.9	Very high	12 Å²	12	71 Å²	71	6%	0.056	41%	0.411	C	S	.	.	H	α-helix	trans	-58.7	-42.2	174.3	-67.7	-179.8	160.3	0	0	112.1	H63 W64 T65 S71 W103 Q107	H63-E67 IonicContact CE1-OE1 3.14Å; H63-E67 PolarHBondContact CE1-OE1 3.3Å; H63-E67 IonicContact ND1-OE1 3.76Å; H63-E67 WeakPolarHBondContact O-CG 3.28Å; H63-E67 PolarHBondContact O-N 3.4Å; W64-E67 PolarHBondContact O-N 3.04Å; T65-E67 VanDerWaalsContact C-N 3.32Å; T65-E67 PolarHBondContact O-N 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.39Å; E67-S71 PolarHBondContact O-N 3.48Å; E67-S71 PolarHBondContact O-OG 3.3Å; E67-W103 HydrophobicContact CB-CE3 4.3Å; E67-W103 HydrophobicContact CG-CB 4.2Å; E67-W103 HydrophobicContact CG-CD2 4.18Å; E67-W103 HydrophobicContact CG-CE3 3.79Å; E67-W103 HydrophobicContact CG-CG 4.39Å; E67-W103 HydrophobicContact CG-CZ3 4.49Å; E67-Q107 PolarHBondContact OE1-NE2 3.43Å
68	R	98.7	Very high	97.4	Very high	93 Å²	93	69.4 Å²	69.4	35%	0.351	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-43.8	178.8	-58	-59.7	84.5	74.7	-6.8	111.2	W64 T65 A66 L70 S71 I72	W64-R68 HydrophobicContact CD2-CG 4.41Å; W64-R68 HydrophobicContact CE3-CG 4.32Å; W64-R68 HydrophobicContact CH2-CG 4.02Å; W64-R68 HydrophobicContact CZ2-CG 4.1Å; W64-R68 HydrophobicContact CZ3-CG 4.13Å; W64-R68 VanDerWaalsContact NE1-NH1 3.19Å; W64-R68 WeakPolarHBondContact O-CG 3.22Å; W64-R68 PolarHBondContact O-N 3.22Å; W64-R68 PolarHBondContact O-NH1 2.87Å; T65-R68 PolarHBondContact O-N 2.74Å; T65-R68 VanDerWaalsContact O-N 3.13Å; A66-R68 VanDerWaalsContact C-N 3.3Å; A66-R68 PolarHBondContact O-N 3.05Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.36Å; R68-S71 WeakPolarHBondContact O-CB 3.21Å; R68-S71 PolarHBondContact O-N 2.88Å; R68-I72 WeakPolarHBondContact O-CG1 3.46Å; R68-I72 PolarHBondContact O-N 3.48Å
69	V	98.8	Very high	97.7	Very high	91 Å²	91	67.2 Å²	67.2	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-58.6	-47.7	175.7	171.2	0	0	0	0	110.5	T65 A66 S71 I72 A73	T65-V69 HydrophobicContact CG2-CG2 4.46Å; T65-V69 WeakPolarHBondContact O-CG2 3.32Å; T65-V69 PolarHBondContact O-N 3.33Å; A66-V69 PolarHBondContact O-N 2.98Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3Å; V69-I72 PolarHBondContact O-N 3.21Å; V69-A73 WeakPolarHBondContact O-CB 3.43Å; V69-A73 PolarHBondContact O-N 3.01Å
70	L	98.8	Very high	98	Very high	26 Å²	26	67.5 Å²	67.5	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-37.2	177.9	-174.9	64	0	0	0	112.1	A66 R68 A73 L74 A96 L99 H100 W103	A66-L70 WeakPolarHBondContact O-CB 3.5Å; A66-L70 PolarHBondContact O-N 2.92Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.36Å; L70-A73 PolarHBondContact O-N 3.23Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 PolarHBondContact O-N 3.23Å; L70-A96 HydrophobicContact CD1-CB 4.16Å; L70-L99 HydrophobicContact CD2-CB 3.81Å; L70-L99 HydrophobicContact CD2-CD2 3.78Å; L70-L99 HydrophobicContact CD2-CG 3.6Å; L70-H100 HydrophobicContact CD2-CB 4Å; L70-H100 HydrophobicContact CG-CB 4.34Å; L70-W103 HydrophobicContact CB-CZ3 3.93Å; L70-W103 HydrophobicContact CD2-CE3 3.66Å; L70-W103 HydrophobicContact CD2-CH2 4.3Å; L70-W103 HydrophobicContact CD2-CZ3 3.44Å; L70-W103 VanDerWaalsContact CD2-CZ3 3.44Å; L70-W103 HydrophobicContact CG-CZ3 4.33Å
71	S	98.8	Very high	98.2	Very high	35 Å²	35	64.5 Å²	64.5	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-43.4	176.1	-55.3	0	0	0	0	111.8	E67 R68 V69 L74 L75 H100	E67-S71 WeakPolarHBondContact O-CB 3.39Å; E67-S71 PolarHBondContact O-N 3.48Å; E67-S71 PolarHBondContact O-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.21Å; R68-S71 PolarHBondContact O-N 2.88Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3Å; S71-L74 PolarHBondContact O-N 3.46Å; S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 PolarHBondContact O-N 2.95Å; S71-H100 PolarHBondContact OG-CE1 3.41Å; S71-H100 VanDerWaalsContact OG-CE1 3.23Å; S71-H100 PolarHBondContact OG-ND1 3.27Å
72	I	98.8	Very high	98.3	Very high	117 Å²	117	70.4 Å²	70.4	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-42.5	176.4	-66.1	166.5	0	0	0	110.4	R68 V69 L75 A76	R68-I72 WeakPolarHBondContact O-CG1 3.46Å; R68-I72 PolarHBondContact O-N 3.48Å; V69-I72 PolarHBondContact O-N 3.21Å; I72-L75 WeakPolarHBondContact O-CB 3.46Å; I72-L75 PolarHBondContact O-N 2.66Å; I72-A76 PolarHBondContact O-N 3.49Å
73	A	98.6	Very high	98.4	Very high	43 Å²	43	72.5 Å²	72.5	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.7	0	0	0	0	0	111.6	V69 L70 L75 A76 L77	V69-A73 WeakPolarHBondContact O-CB 3.43Å; V69-A73 PolarHBondContact O-N 3.01Å; L70-A73 PolarHBondContact O-N 3.23Å; A73-L75 PolarHBondContact O-N 3.48Å; A73-A76 PolarHBondContact O-N 2.85Å; A73-L77 WeakPolarHBondContact O-CG 3.35Å; A73-L77 PolarHBondContact O-N 3.47Å
74	L	98.6	Very high	98.3	Very high	30 Å²	30	72.7 Å²	72.7	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-63.7	-40	177	-178.5	59	0	0	0	112	L70 S71 A76 L77 G78 L93 A96 L97 H100	L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 PolarHBondContact O-N 3.23Å; S71-L74 PolarHBondContact O-N 3.46Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.78Å; L74-L77 PolarHBondContact O-N 3.26Å; L74-G78 PolarHBondContact O-N 3.3Å; L74-L93 HydrophobicContact CD1-CD2 4.43Å; L74-A96 HydrophobicContact CB-CB 4.37Å; L74-A96 HydrophobicContact CD1-CB 3.94Å; L74-L97 HydrophobicContact CD1-CD2 3.96Å; L74-L97 HydrophobicContact CD1-CG 3.89Å; L74-L97 HydrophobicContact CD2-CD2 4.17Å; L74-H100 HydrophobicContact CD2-CB 3.86Å
75	L	98.6	Very high	98.3	Very high	137 Å²	137	68.7 Å²	68.7	72%	0.717	39%	0.393	S	S	*	.	H	α-helix	trans	-59.5	-42.3	173.7	179.4	63.7	0	0	0	111.7	S71 I72 A73 P79	S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 PolarHBondContact O-N 2.95Å; I72-L75 WeakPolarHBondContact O-CB 3.46Å; I72-L75 PolarHBondContact O-N 2.66Å; A73-L75 PolarHBondContact O-N 3.48Å; L75-P79 VanDerWaalsContact O-CD 3.23Å; L75-P79 WeakPolarHBondContact O-CD 3.43Å
76	A	98.5	Very high	98.2	Very high	51 Å²	51	66.3 Å²	66.3	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-70.7	-31.8	177.5	0	0	0	0	0	113	I72 A73 L74 G78 P79 V80	I72-A76 PolarHBondContact O-N 3.49Å; A73-A76 PolarHBondContact O-N 2.85Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.78Å; A76-G78 PolarHBondContact O-N 2.91Å; A76-P79 VanDerWaalsContact O-CD 3.22Å; A76-P79 WeakPolarHBondContact O-CD 3.47Å; A76-P79 VanDerWaalsContact O-CG 3.31Å; A76-P79 WeakPolarHBondContact O-CG 3.39Å; A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.35Å; A76-V80 PolarHBondContact O-N 3.04Å
77	L	98.5	Very high	98.2	Very high	25 Å²	25	68.9 Å²	68.9	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-63.9	-28.5	177.7	-79.2	170.6	0	0	0	112.9	A73 L74 V80 A81 I89 L93 A96	A73-L77 WeakPolarHBondContact O-CG 3.35Å; A73-L77 PolarHBondContact O-N 3.47Å; L74-L77 PolarHBondContact O-N 3.26Å; L77-V80 PolarHBondContact O-N 3.4Å; L77-A81 WeakPolarHBondContact O-CB 3.26Å; L77-A81 PolarHBondContact O-N 3.5Å; L77-I89 HydrophobicContact CD2-CG2 4.41Å; L77-L93 HydrophobicContact CB-CD2 3.86Å; L77-L93 HydrophobicContact CB-CG 4.5Å; L77-L93 HydrophobicContact CD1-CD2 4.5Å; L77-A96 HydrophobicContact CD1-CB 3.68Å
78	G	97.2	Very high	98.2	Very high	43 Å²	43	73.5 Å²	73.5	44%	0.443	42%	0.423	S	S	.	.	H	α-helix	trans	-54.4	-62.5	176.2	0	0	0	0	0	113.9	L74 A76 V80 A81 Y82	L74-G78 PolarHBondContact O-N 3.3Å; A76-G78 PolarHBondContact O-N 2.91Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 2.74Å; G78-A81 PolarHBondContact O-N 3.05Å; G78-Y82 PolarHBondContact O-N 3.39Å
79	P	98.3	Very high	98.2	Very high	68 Å²	68	70.3 Å²	70.3	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-64.6	-34.9	176.1	23.6	-32.4	0	0	0	112.8	L75 A76 A81 Y82 F83	L75-P79 VanDerWaalsContact O-CD 3.23Å; L75-P79 WeakPolarHBondContact O-CD 3.43Å; A76-P79 VanDerWaalsContact O-CD 3.22Å; A76-P79 WeakPolarHBondContact O-CD 3.47Å; A76-P79 VanDerWaalsContact O-CG 3.31Å; A76-P79 WeakPolarHBondContact O-CG 3.39Å; P79-A81 VanDerWaalsContact C-N 3.33Å; P79-A81 PolarHBondContact O-N 2.99Å; P79-Y82 WeakPolarHBondContact O-CB 3.4Å; P79-Y82 PolarHBondContact O-N 2.93Å; P79-F83 HydrophobicContact CB-CD2 4.49Å; P79-F83 HydrophobicContact CB-CE2 4.48Å; P79-F83 WeakPolarHBondContact O-CD2 3.18Å; P79-F83 PolarHBondContact O-N 3.4Å
80	V	98.4	Very high	98.2	Very high	61 Å²	61	66.3 Å²	66.3	37%	0.37	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-41.8	177	173.2	0	0	0	0	111.4	A76 L77 G78 Y82 F83 S84 I89	A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.35Å; A76-V80 PolarHBondContact O-N 3.04Å; L77-V80 PolarHBondContact O-N 3.4Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 2.74Å; V80-Y82 VanDerWaalsContact C-N 3.27Å; V80-Y82 PolarHBondContact O-N 2.83Å; V80-F83 PolarHBondContact O-N 3.26Å; V80-S84 CarbonylContact O-C 3.59Å; V80-S84 WeakPolarHBondContact O-CA 3.34Å; V80-S84 PolarHBondContact O-N 3.43Å; V80-I89 HydrophobicContact CG1-CD1 3.46Å; V80-I89 VanDerWaalsContact CG1-CD1 3.46Å; V80-I89 HydrophobicContact CG1-CG1 4Å; V80-I89 HydrophobicContact CG1-CG2 4.44Å
81	A	98.2	Very high	98.2	Very high	17 Å²	17	68.9 Å²	68.9	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-33.2	176.2	0	0	0	0	0	113.1	L77 G78 P79 I89 L93	L77-A81 WeakPolarHBondContact O-CB 3.26Å; L77-A81 PolarHBondContact O-N 3.5Å; G78-A81 PolarHBondContact O-N 3.05Å; P79-A81 VanDerWaalsContact C-N 3.33Å; P79-A81 PolarHBondContact O-N 2.99Å; A81-I89 HydrophobicContact CB-CG2 3.73Å; A81-L93 HydrophobicContact CB-CD1 3.77Å
82	Y	97.6	Very high	98.2	Very high	186 Å²	186	69.4 Å²	69.4	73%	0.729	40%	0.4	S	S	*	.	H	α-helix	trans	-70.9	-46.8	175.7	-178	-97.8	0	0	0	112.4	G78 P79 V80	G78-Y82 PolarHBondContact O-N 3.39Å; P79-Y82 WeakPolarHBondContact O-CB 3.4Å; P79-Y82 PolarHBondContact O-N 2.93Å; V80-Y82 VanDerWaalsContact C-N 3.27Å; V80-Y82 PolarHBondContact O-N 2.83Å
83	F	98.1	Very high	98.2	Very high	157 Å²	157	64.6 Å²	64.6	69%	0.689	38%	0.376	S	S	*	.	H	α-helix	trans	-84.5	-23.2	-175.2	-70.2	-66.1	0	0	0	114.2	P79 V80	P79-F83 HydrophobicContact CB-CD2 4.49Å; P79-F83 HydrophobicContact CB-CE2 4.48Å; P79-F83 WeakPolarHBondContact O-CD2 3.18Å; P79-F83 PolarHBondContact O-N 3.4Å; V80-F83 PolarHBondContact O-N 3.26Å
84	S	97.1	Very high	98.2	Very high	74 Å²	74	62.6 Å²	62.6	52%	0.517	36%	0.359	S	S	.	.	S	Bend	trans	-142.5	62.8	-173.8	-60.9	0	0	0	0	111	V80 I89	V80-S84 CarbonylContact O-C 3.59Å; V80-S84 WeakPolarHBondContact O-CA 3.34Å; V80-S84 PolarHBondContact O-N 3.43Å; S84-I89 WeakPolarHBondContact O-CG1 3.38Å
85	P	97.4	Very high	98.2	Very high	72 Å²	72	63.1 Å²	63.1	47%	0.468	37%	0.368	S	S	.	.			trans	-62.6	141.3	177.5	28.7	-35.6	0	0	0	110.5	C148	P85-C148 HydrophobicContact CB-CB 3.72Å
86	G	96.9	Very high	98.2	Very high	17 Å²	17	57 Å²	57	18%	0.175	34%	0.337	C	S	.	.	S	Bend	trans	164.5	172.2	178.9	0	0	0	0	0	113.1	V88 I89 D90	G86-V88 VanDerWaalsContact C-N 3.33Å; G86-V88 PolarHBondContact O-N 3.34Å; G86-I89 PolarHBondContact O-N 2.89Å; G86-D90 PolarHBondContact O-N 3.01Å
87	P	97.8	Very high	98.2	Very high	92 Å²	92	58.6 Å²	58.6	60%	0.597	34%	0.338	S	S	*	.	H	α-helix	trans	-61.2	-38.3	-168	22	-33.6	0	0	0	113.2	I89 D90 Y91	P87-I89 VanDerWaalsContact C-N 3.29Å; P87-I89 PolarHBondContact O-N 2.86Å; P87-D90 PolarHBondContact O-N 3.31Å; P87-Y91 WeakPolarHBondContact O-CD2 3.2Å; P87-Y91 PolarHBondContact O-N 3.03Å
88	V	98.4	Very high	98.2	Very high	108 Å²	108	58.1 Å²	58.1	66%	0.655	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-42.6	177	176.1	0	0	0	0	110.8	G86 S92	G86-V88 VanDerWaalsContact C-N 3.33Å; G86-V88 PolarHBondContact O-N 3.34Å; V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.34Å; V88-S92 PolarHBondContact O-N 2.82Å; V88-S92 PolarHBondContact O-OG 3.36Å
89	I	98.6	Very high	98.3	Very high	26 Å²	26	59.4 Å²	59.4	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-73.4	-39.2	179.5	-54.3	-51	0	0	0	110.7	L77 V80 A81 S84 G86 P87 Y91 S92 L93	L77-I89 HydrophobicContact CD2-CG2 4.41Å; V80-I89 HydrophobicContact CG1-CD1 3.46Å; V80-I89 VanDerWaalsContact CG1-CD1 3.46Å; V80-I89 HydrophobicContact CG1-CG1 4Å; V80-I89 HydrophobicContact CG1-CG2 4.44Å; A81-I89 HydrophobicContact CB-CG2 3.73Å; S84-I89 WeakPolarHBondContact O-CG1 3.38Å; G86-I89 PolarHBondContact O-N 2.89Å; P87-I89 VanDerWaalsContact C-N 3.29Å; P87-I89 PolarHBondContact O-N 2.86Å; I89-Y91 PolarHBondContact O-N 2.82Å; I89-S92 PolarHBondContact O-N 3.27Å; I89-L93 HydrophobicContact CG2-CD1 4.15Å; I89-L93 HydrophobicContact CG2-CG 4.32Å; I89-L93 WeakPolarHBondContact O-CB 3.39Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.44Å
90	D	98.7	Very high	98.3	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-47.5	175.8	-73.5	-38.3	0	0	0	112.6	G86 P87 L93 A94 N141 I147 C148	G86-D90 PolarHBondContact O-N 3.01Å; P87-D90 PolarHBondContact O-N 3.31Å; D90-L93 PolarHBondContact O-N 3.39Å; D90-A94 WeakPolarHBondContact O-CB 3.32Å; D90-A94 PolarHBondContact O-N 2.64Å; D90-N141 PolarHBondContact O-ND2 2.82Å; D90-I147 PolarHBondContact OD1-N 3.16Å; D90-C148 WeakPolarHBondContact OD1-CB 3.44Å; D90-C148 PolarHBondContact OD1-N 2.91Å; D90-C148 PolarHBondContact OD1-SG 3.31Å
91	Y	98.8	Very high	98.4	Very high	81 Å²	81	58.1 Å²	58.1	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-35.5	176.1	-77.1	-70.8	0	0	0	112.4	P87 I89 A94 A95 C138 N141 Y142	P87-Y91 WeakPolarHBondContact O-CD2 3.2Å; P87-Y91 PolarHBondContact O-N 3.03Å; I89-Y91 PolarHBondContact O-N 2.82Å; Y91-A94 PolarHBondContact O-N 2.94Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.42Å; Y91-C138 HydrophobicContact CD1-CB 4.49Å; Y91-C138 HydrophobicContact CE1-CB 3.96Å; Y91-C138 PolarHBondContact OH-O 2.7Å; Y91-N141 HydrophobicContact CD1-CB 4.35Å; Y91-N141 HydrophobicContact CE1-CB 3.85Å; Y91-N141 HydrophobicContact CE2-CB 4.12Å; Y91-Y142 WeakPolarHBondContact OH-CB 3.5Å; Y91-Y142 PolarHBondContact OH-N 3.48Å
92	S	98.8	Very high	98.4	Very high	45 Å²	45	58.6 Å²	58.6	32%	0.315	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-42.4	174.7	-61.2	0	0	0	0	111.5	V88 I89 A95 A96	V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.34Å; V88-S92 PolarHBondContact O-N 2.82Å; V88-S92 PolarHBondContact O-OG 3.36Å; I89-S92 PolarHBondContact O-N 3.27Å; S92-A95 PolarHBondContact O-N 3.37Å; S92-A96 WeakPolarHBondContact O-CB 3.41Å; S92-A96 PolarHBondContact O-N 2.85Å
93	L	98.8	Very high	98.4	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-47.3	173.4	-81.6	171.2	0	0	0	111.1	L74 L77 A81 I89 D90 A95 A96 L97 I147	L74-L93 HydrophobicContact CD1-CD2 4.43Å; L77-L93 HydrophobicContact CB-CD2 3.86Å; L77-L93 HydrophobicContact CB-CG 4.5Å; L77-L93 HydrophobicContact CD1-CD2 4.5Å; A81-L93 HydrophobicContact CB-CD1 3.77Å; I89-L93 HydrophobicContact CG2-CD1 4.15Å; I89-L93 HydrophobicContact CG2-CG 4.32Å; I89-L93 WeakPolarHBondContact O-CB 3.39Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.44Å; D90-L93 PolarHBondContact O-N 3.39Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.13Å; L93-A96 PolarHBondContact O-N 3.35Å; L93-L97 HydrophobicContact CB-CD1 4.45Å; L93-L97 WeakPolarHBondContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.93Å; L93-I147 HydrophobicContact CB-CD1 4.47Å; L93-I147 HydrophobicContact CD1-CG2 4.22Å
94	A	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-45.9	178	0	0	0	0	0	111.8	D90 Y91 T98 F134 L137 I147	D90-A94 WeakPolarHBondContact O-CB 3.32Å; D90-A94 PolarHBondContact O-N 2.64Å; Y91-A94 PolarHBondContact O-N 2.94Å; A94-T98 VanDerWaalsContact O-CB 3.3Å; A94-T98 WeakPolarHBondContact O-CB 3.35Å; A94-T98 PolarHBondContact O-N 3.38Å; A94-T98 PolarHBondContact O-OG1 2.97Å; A94-F134 HydrophobicContact CB-CE2 4.44Å; A94-L137 HydrophobicContact CB-CB 3.76Å; A94-L137 HydrophobicContact CB-CD1 4.27Å; A94-I147 HydrophobicContact CB-CD1 3.99Å
95	A	98.8	Very high	98.5	Very high	42 Å²	42	47.5 Å²	47.5	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-51	177.1	0	0	0	0	0	111.9	Y91 S92 L93 T98 L99 F134	Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact O-N 3.37Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.13Å; A95-T98 PolarHBondContact O-N 2.98Å; A95-L99 VanDerWaalsContact O-CB 3.29Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 2.92Å; A95-F134 HydrophobicContact CB-CE2 3.91Å
96	A	98.8	Very high	98.6	Very high	7 Å²	7	45 Å²	45	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-45.1	-174.2	0	0	0	0	0	112.4	L70 L74 L77 S92 L93 H100	L70-A96 HydrophobicContact CD1-CB 4.16Å; L74-A96 HydrophobicContact CB-CB 4.37Å; L74-A96 HydrophobicContact CD1-CB 3.94Å; L77-A96 HydrophobicContact CD1-CB 3.68Å; S92-A96 WeakPolarHBondContact O-CB 3.41Å; S92-A96 PolarHBondContact O-N 2.85Å; L93-A96 PolarHBondContact O-N 3.35Å; A96-H100 WeakPolarHBondContact O-CB 3.21Å; A96-H100 PolarHBondContact O-N 2.86Å
97	L	98.8	Very high	98.7	Very high	85 Å²	85	47.8 Å²	47.8	45%	0.445	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-48.1	176	-78.1	164.8	0	0	0	111.1	L74 L93 G101	L74-L97 HydrophobicContact CD1-CD2 3.96Å; L74-L97 HydrophobicContact CD1-CG 3.89Å; L74-L97 HydrophobicContact CD2-CD2 4.17Å; L93-L97 HydrophobicContact CB-CD1 4.45Å; L93-L97 WeakPolarHBondContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.93Å; L97-G101 PolarHBondContact O-N 3.43Å
98	T	98.9	Very high	98.7	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-44.1	-175.4	-49.5	0	0	0	0	111.6	A94 A95 G101 H102 S130 T133 F134	A94-T98 VanDerWaalsContact O-CB 3.3Å; A94-T98 WeakPolarHBondContact O-CB 3.35Å; A94-T98 PolarHBondContact O-N 3.38Å; A94-T98 PolarHBondContact O-OG1 2.97Å; A95-T98 PolarHBondContact O-N 2.98Å; T98-G101 PolarHBondContact O-N 3.48Å; T98-H102 VanDerWaalsContact O-CB 3.32Å; T98-H102 WeakPolarHBondContact O-CB 3.46Å; T98-H102 PolarHBondContact O-N 3.37Å; T98-S130 VanDerWaalsContact CG2-O 3.24Å; T98-S130 WeakPolarHBondContact CG2-O 3.07Å; T98-T133 HydrophobicContact CG2-CG2 4.19Å; T98-F134 HydrophobicContact CG2-CB 3.83Å
99	L	98.8	Very high	98.7	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-70	-39.4	180	-175.1	61.7	0	0	0	112.1	L70 A95 H102 W103	L70-L99 HydrophobicContact CD2-CB 3.81Å; L70-L99 HydrophobicContact CD2-CD2 3.78Å; L70-L99 HydrophobicContact CD2-CG 3.6Å; A95-L99 VanDerWaalsContact O-CB 3.29Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 2.92Å; L99-H102 PolarHBondContact O-N 2.93Å; L99-W103 HydrophobicContact CD1-CD2 4.24Å; L99-W103 HydrophobicContact CD1-CH2 4.44Å; L99-W103 HydrophobicContact CD1-CZ2 3.85Å; L99-W103 HydrophobicContact CD2-CH2 3.82Å; L99-W103 HydrophobicContact CD2-CZ2 3.99Å; L99-W103 HydrophobicContact CD2-CZ3 4.26Å; L99-W103 HydrophobicContact CG-CD2 4.26Å; L99-W103 HydrophobicContact CG-CE3 4.31Å; L99-W103 HydrophobicContact CG-CH2 4.09Å; L99-W103 HydrophobicContact CG-CZ2 4.01Å; L99-W103 HydrophobicContact CG-CZ3 4.25Å; L99-W103 PolarHBondContact O-N 2.94Å
100	H	98.8	Very high	98.6	Very high	72 Å²	72	45.6 Å²	45.6	33%	0.333	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-44.9	175.6	-178.4	77.9	0	0	0	110.8	L70 S71 L74 A96 G104	L70-H100 HydrophobicContact CD2-CB 4Å; L70-H100 HydrophobicContact CG-CB 4.34Å; S71-H100 PolarHBondContact OG-CE1 3.41Å; S71-H100 VanDerWaalsContact OG-CE1 3.23Å; S71-H100 PolarHBondContact OG-ND1 3.27Å; L74-H100 HydrophobicContact CD2-CB 3.86Å; A96-H100 WeakPolarHBondContact O-CB 3.21Å; A96-H100 PolarHBondContact O-N 2.86Å; H100-G104 PolarHBondContact O-N 2.77Å
101	G	98.8	Very high	98.6	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-42.2	173.9	0	0	0	0	0	112.9	L97 T98 G104 L105	L97-G101 PolarHBondContact O-N 3.43Å; T98-G101 PolarHBondContact O-N 3.48Å; G101-G104 PolarHBondContact O-N 3.38Å; G101-L105 WeakPolarHBondContact O-CB 3.29Å; G101-L105 WeakPolarHBondContact O-CG 3.41Å; G101-L105 PolarHBondContact O-N 3.25Å
102	H	98.8	Very high	98.5	Very high	28 Å²	28	54.3 Å²	54.3	13%	0.13	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-49.9	177.8	-179.3	80.6	0	0	0	111.9	T98 L99 G106 F127 S130	T98-H102 VanDerWaalsContact O-CB 3.32Å; T98-H102 WeakPolarHBondContact O-CB 3.46Å; T98-H102 PolarHBondContact O-N 3.37Å; L99-H102 PolarHBondContact O-N 2.93Å; H102-G106 PolarHBondContact O-N 3.03Å; H102-F127 AromaticContact CE1-CD1 3.93Å; H102-F127 AromaticContact CE1-CE1 3.96Å; H102-F127 AromaticContact NE2-CE1 3.93Å; H102-F127 AromaticContact NE2-CZ 3.88Å; H102-S130 WeakPolarHBondContact ND1-CB 3.38Å; H102-S130 PolarHBondContact ND1-OG 3.44Å
103	W	98.8	Very high	98.5	Very high	57 Å²	57	54.3 Å²	54.3	22%	0.216	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-41.7	177.1	-69.4	-24.9	0	0	0	112.3	H63 A66 E67 L70 L99 L105 G106 Q107	H63-W103 AromaticContact NE2-CD1 3.4Å; H63-W103 AromaticContact NE2-CD2 3.88Å; H63-W103 AromaticContact NE2-CE2 3.74Å; H63-W103 AromaticContact NE2-CG 3.69Å; H63-W103 AromaticContact NE2-NE1 3.43Å; H63-W103 PolarHBondContact NE2-NE1 3.01Å; A66-W103 HydrophobicContact CB-CH2 3.99Å; A66-W103 HydrophobicContact CB-CZ3 4.22Å; E67-W103 HydrophobicContact CB-CE3 4.3Å; E67-W103 HydrophobicContact CG-CB 4.2Å; E67-W103 HydrophobicContact CG-CD2 4.18Å; E67-W103 HydrophobicContact CG-CE3 3.79Å; E67-W103 HydrophobicContact CG-CG 4.39Å; E67-W103 HydrophobicContact CG-CZ3 4.49Å; L70-W103 HydrophobicContact CB-CZ3 3.93Å; L70-W103 HydrophobicContact CD2-CE3 3.66Å; L70-W103 HydrophobicContact CD2-CH2 4.3Å; L70-W103 HydrophobicContact CD2-CZ3 3.44Å; L70-W103 VanDerWaalsContact CD2-CZ3 3.44Å; L70-W103 HydrophobicContact CG-CZ3 4.33Å; L99-W103 HydrophobicContact CD1-CD2 4.24Å; L99-W103 HydrophobicContact CD1-CH2 4.44Å; L99-W103 HydrophobicContact CD1-CZ2 3.85Å; L99-W103 HydrophobicContact CD2-CH2 3.82Å; L99-W103 HydrophobicContact CD2-CZ2 3.99Å; L99-W103 HydrophobicContact CD2-CZ3 4.26Å; L99-W103 HydrophobicContact CG-CD2 4.26Å; L99-W103 HydrophobicContact CG-CE3 4.31Å; L99-W103 HydrophobicContact CG-CH2 4.09Å; L99-W103 HydrophobicContact CG-CZ2 4.01Å; L99-W103 HydrophobicContact CG-CZ3 4.25Å; L99-W103 PolarHBondContact O-N 2.94Å; W103-L105 PolarHBondContact O-N 3.13Å; W103-G106 WeakPolarHBondContact O-CA 3.21Å; W103-G106 PolarHBondContact O-N 2.88Å; W103-G106 VanDerWaalsContact O-N 3.1Å; W103-Q107 PolarHBondContact O-N 3.19Å
104	G	98.6	Very high	98.5	Very high	38 Å²	38	59.6 Å²	59.6	39%	0.392	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-46.5	177.7	0	0	0	0	0	113	H100 G101 G106 Q107 V108	H100-G104 PolarHBondContact O-N 2.77Å; G101-G104 PolarHBondContact O-N 3.38Å; G104-G106 VanDerWaalsContact C-N 3.29Å; G104-G106 PolarHBondContact O-N 3.14Å; G104-Q107 PolarHBondContact O-N 3.41Å; G104-V108 PolarHBondContact O-N 2.89Å
105	L	98.7	Very high	98.4	Very high	88 Å²	88	61.6 Å²	61.6	46%	0.461	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-30.6	174	-69.3	174.9	0	0	0	112.2	G101 W103 Q107 V108 L109 L126	G101-L105 WeakPolarHBondContact O-CB 3.29Å; G101-L105 WeakPolarHBondContact O-CG 3.41Å; G101-L105 PolarHBondContact O-N 3.25Å; W103-L105 PolarHBondContact O-N 3.13Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.85Å; L105-V108 PolarHBondContact O-N 2.99Å; L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 PolarHBondContact O-N 3.14Å; L105-L126 HydrophobicContact CB-CD1 3.68Å; L105-L126 HydrophobicContact CB-CD2 4.13Å; L105-L126 HydrophobicContact CD1-CD1 3.78Å; L105-L126 HydrophobicContact CG-CD1 4.41Å
106	G	98.4	Very high	98.3	Very high	21 Å²	21	65.8 Å²	65.8	22%	0.216	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-44	171	0	0	0	0	0	112	H102 W103 G104 L109 T110	H102-G106 PolarHBondContact O-N 3.03Å; W103-G106 WeakPolarHBondContact O-CA 3.21Å; W103-G106 PolarHBondContact O-N 2.88Å; W103-G106 VanDerWaalsContact O-N 3.1Å; G104-G106 VanDerWaalsContact C-N 3.29Å; G104-G106 PolarHBondContact O-N 3.14Å; G106-L109 WeakPolarHBondContact O-CB 3.32Å; G106-L109 PolarHBondContact O-N 3.11Å; G106-T110 WeakPolarHBondContact O-CG2 3.22Å; G106-T110 PolarHBondContact O-N 3.45Å; G106-T110 PolarHBondContact O-OG1 2.95Å
107	Q	98.4	Very high	98.2	Very high	75 Å²	75	71 Å²	71	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175.7	-59.8	-60.1	-16.1	0	0	112.1	E67 W103 G104 L105 L109 T110 D111	E67-Q107 PolarHBondContact OE1-NE2 3.43Å; W103-Q107 PolarHBondContact O-N 3.19Å; G104-Q107 PolarHBondContact O-N 3.41Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.85Å; Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.3Å; Q107-T110 PolarHBondContact O-N 2.81Å; Q107-T110 PolarHBondContact O-OG1 3.39Å; Q107-D111 WeakPolarHBondContact O-CB 3.36Å; Q107-D111 VanDerWaalsContact O-CG 3.22Å; Q107-D111 PolarHBondContact O-N 3.1Å
108	V	98.6	Very high	98.1	Very high	77 Å²	77	73 Å²	73	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-41.5	174.6	177.4	0	0	0	0	110.8	G104 L105 D111 Y112	G104-V108 PolarHBondContact O-N 2.89Å; L105-V108 PolarHBondContact O-N 2.99Å; V108-D111 PolarHBondContact O-N 3.48Å; V108-Y112 HydrophobicContact CG1-CD2 3.93Å; V108-Y112 HydrophobicContact CG1-CE2 4.47Å; V108-Y112 VanDerWaalsContact O-CD2 3.27Å; V108-Y112 WeakPolarHBondContact O-CD2 3.36Å; V108-Y112 PolarHBondContact O-N 3.02Å; V108-Y112 VanDerWaalsContact O-N 3.1Å
109	L	98.3	Very high	98.1	Very high	17 Å²	17	74.5 Å²	74.5	9%	0.089	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-46.6	178.4	-171.4	158.4	0	0	0	111.3	L105 G106 Q107 D111 V113 V119 A122	L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 PolarHBondContact O-N 3.14Å; G106-L109 WeakPolarHBondContact O-CB 3.32Å; G106-L109 PolarHBondContact O-N 3.11Å; Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å; L109-D111 VanDerWaalsContact C-N 3.28Å; L109-D111 PolarHBondContact O-N 3.03Å; L109-V113 HydrophobicContact CD2-CB 4.34Å; L109-V113 HydrophobicContact CG-CB 4.26Å; L109-V113 HydrophobicContact CG-CG2 4.06Å; L109-V113 VanDerWaalsContact O-CB 3.28Å; L109-V113 WeakPolarHBondContact O-CB 3.29Å; L109-V113 PolarHBondContact O-N 3.3Å; L109-V119 HydrophobicContact CD2-CG1 3.98Å; L109-A122 HydrophobicContact CD1-CB 3.43Å; L109-A122 VanDerWaalsContact CD1-CB 3.43Å; L109-A122 HydrophobicContact CG-CB 3.97Å
110	T	96.5	Very high	98	Very high	86 Å²	86	78.5 Å²	78.5	53%	0.528	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-33	178.7	50.7	0	0	0	0	112.8	G106 Q107	G106-T110 WeakPolarHBondContact O-CG2 3.22Å; G106-T110 PolarHBondContact O-N 3.45Å; G106-T110 PolarHBondContact O-OG1 2.95Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.3Å; Q107-T110 PolarHBondContact O-N 2.81Å; Q107-T110 PolarHBondContact O-OG1 3.39Å
111	D	98.1	Very high	98	Very high	97 Å²	97	81.4 Å²	81.4	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-77.6	-33.8	-177.8	-72.4	-5.7	0	0	0	112.9	Q107 V108 L109	Q107-D111 WeakPolarHBondContact O-CB 3.36Å; Q107-D111 VanDerWaalsContact O-CG 3.22Å; Q107-D111 PolarHBondContact O-N 3.1Å; V108-D111 PolarHBondContact O-N 3.48Å; L109-D111 VanDerWaalsContact C-N 3.28Å; L109-D111 PolarHBondContact O-N 3.03Å
112	Y	98.3	Very high	98	Very high	174 Å²	174	81.7 Å²	81.7	68%	0.682	44%	0.44	S	S	*	.	H	α-helix	trans	-119	-22.1	-167.5	-62.4	-70.5	0	0	0	114.9	V108 H114	V108-Y112 HydrophobicContact CG1-CD2 3.93Å; V108-Y112 HydrophobicContact CG1-CE2 4.47Å; V108-Y112 VanDerWaalsContact O-CD2 3.27Å; V108-Y112 WeakPolarHBondContact O-CD2 3.36Å; V108-Y112 PolarHBondContact O-N 3.02Å; V108-Y112 VanDerWaalsContact O-N 3.1Å; Y112-H114 PolarHBondContact O-CE1 2.68Å; Y112-H114 PolarHBondContact O-ND1 3.47Å
113	V	98	Very high	98	Very high	45 Å²	45	82.2 Å²	82.2	27%	0.273	45%	0.447	S	S	.	.			trans	-93.5	113	179.6	-175.6	0	0	0	0	109.9	L109 K118 V119 A122	L109-V113 HydrophobicContact CD2-CB 4.34Å; L109-V113 HydrophobicContact CG-CB 4.26Å; L109-V113 HydrophobicContact CG-CG2 4.06Å; L109-V113 VanDerWaalsContact O-CB 3.28Å; L109-V113 WeakPolarHBondContact O-CB 3.29Å; L109-V113 PolarHBondContact O-N 3.3Å; V113-K118 HydrophobicContact CG1-CB 3.81Å; V113-V119 HydrophobicContact CB-CG2 4.43Å; V113-V119 HydrophobicContact CG1-CG2 4.08Å; V113-V119 WeakPolarHBondContact O-CG2 3.48Å; V113-A122 HydrophobicContact CG1-CB 4.42Å
114	H	97.7	Very high	97.9	Very high	127 Å²	127	82 Å²	82	59%	0.588	46%	0.457	S	S	*	.			trans	-109.5	130.8	-175.2	-62.6	81.5	0	0	0	112	Y112 K118	Y112-H114 PolarHBondContact O-CE1 2.68Å; Y112-H114 PolarHBondContact O-ND1 3.47Å; H114-K118 WeakPolarHBondContact O-CE 3.41Å; H114-K118 PolarHBondContact O-NZ 2.85Å
115	G	97.3	Very high	98	Very high	42 Å²	42	82 Å²	82	43%	0.433	46%	0.458	S	S	.	.	S	Bend	trans	107.3	127.3	175.7	0	0	0	0	0	112.7	T117 K118 V119	G115-T117 VanDerWaalsContact C-N 3.33Å; G115-T117 PolarHBondContact O-N 3.25Å; G115-T117 VanDerWaalsContact O-N 3.15Å; G115-K118 PolarHBondContact O-N 3.49Å; G115-V119 WeakPolarHBondContact O-CG2 3.32Å; G115-V119 PolarHBondContact O-N 3.38Å
116	D	96.2	Very high	98	Very high	131 Å²	131	78.7 Å²	78.7	70%	0.701	44%	0.441	S	S	*	.	H	α-helix	trans	-52.7	-44.3	-163.2	-60	-8.6	0	0	0	114.1	V119 K120	D116-V119 PolarHBondContact O-N 3.21Å; D116-K120 WeakPolarHBondContact O-CB 3.24Å; D116-K120 VanDerWaalsContact O-CG 3.29Å; D116-K120 WeakPolarHBondContact O-CG 3.42Å; D116-K120 PolarHBondContact O-N 3.37Å
117	T	97.4	Very high	98	Very high	117 Å²	117	83.7 Å²	83.7	72%	0.718	46%	0.457	S	S	*	.	H	α-helix	trans	-64.6	-43.6	-179.9	-50.3	0	0	0	0	111.8	G115 L121	G115-T117 VanDerWaalsContact C-N 3.33Å; G115-T117 PolarHBondContact O-N 3.25Å; G115-T117 VanDerWaalsContact O-N 3.15Å; T117-L121 WeakPolarHBondContact O-CB 3.37Å; T117-L121 PolarHBondContact O-N 3Å
118	K	97.6	Very high	98	Very high	127 Å²	127	84.7 Å²	84.7	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-69.9	-40.2	179.5	-64.1	-173.2	-51.1	-171.1	0	111	V113 H114 G115 L121 A122	V113-K118 HydrophobicContact CG1-CB 3.81Å; H114-K118 WeakPolarHBondContact O-CE 3.41Å; H114-K118 PolarHBondContact O-NZ 2.85Å; G115-K118 PolarHBondContact O-N 3.49Å; K118-L121 PolarHBondContact O-N 2.89Å; K118-A122 WeakPolarHBondContact O-CB 3.34Å; K118-A122 PolarHBondContact O-N 2.8Å
119	V	97.9	Very high	98	Very high	45 Å²	45	85.5 Å²	85.5	27%	0.273	47%	0.469	S	S	.	.	H	α-helix	trans	-59.9	-47.8	175.9	171.4	0	0	0	0	110.5	L109 V113 G115 D116 S123	L109-V119 HydrophobicContact CD2-CG1 3.98Å; V113-V119 HydrophobicContact CB-CG2 4.43Å; V113-V119 HydrophobicContact CG1-CG2 4.08Å; V113-V119 WeakPolarHBondContact O-CG2 3.48Å; G115-V119 WeakPolarHBondContact O-CG2 3.32Å; G115-V119 PolarHBondContact O-N 3.38Å; D116-V119 PolarHBondContact O-N 3.21Å; V119-S123 VanDerWaalsContact O-CB 3.27Å; V119-S123 WeakPolarHBondContact O-CB 3.37Å; V119-S123 PolarHBondContact O-N 3.18Å; V119-S123 PolarHBondContact O-OG 3.26Å
120	K	97.6	Very high	98	Very high	155 Å²	155	85.5 Å²	85.5	67%	0.674	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-46.2	177.4	-73.9	176.2	-178.7	179.9	0	112	D116 S123 A124	D116-K120 WeakPolarHBondContact O-CB 3.24Å; D116-K120 VanDerWaalsContact O-CG 3.29Å; D116-K120 WeakPolarHBondContact O-CG 3.42Å; D116-K120 PolarHBondContact O-N 3.37Å; K120-S123 PolarHBondContact O-N 3.42Å; K120-A124 WeakPolarHBondContact O-CB 3.3Å; K120-A124 PolarHBondContact O-N 2.9Å
121	L	98.4	Very high	98.1	Very high	132 Å²	132	85.6 Å²	85.6	69%	0.691	47%	0.471	S	S	*	.	H	α-helix	trans	-64.1	-47.1	179.9	-177.9	61.8	0	0	0	111.8	T117 K118 S123 A124 G125	T117-L121 WeakPolarHBondContact O-CB 3.37Å; T117-L121 PolarHBondContact O-N 3Å; K118-L121 PolarHBondContact O-N 2.89Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.36Å; L121-A124 PolarHBondContact O-N 3.32Å; L121-G125 PolarHBondContact O-N 3.44Å
122	A	98.4	Very high	98.2	Very high	36 Å²	36	85.6 Å²	85.6	30%	0.298	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-38.4	177.8	0	0	0	0	0	111.3	L109 V113 K118 G125 L126	L109-A122 HydrophobicContact CD1-CB 3.43Å; L109-A122 VanDerWaalsContact CD1-CB 3.43Å; L109-A122 HydrophobicContact CG-CB 3.97Å; V113-A122 HydrophobicContact CG1-CB 4.42Å; K118-A122 WeakPolarHBondContact O-CB 3.34Å; K118-A122 PolarHBondContact O-N 2.8Å; A122-G125 PolarHBondContact O-N 3.33Å; A122-L126 WeakPolarHBondContact O-CB 3.33Å; A122-L126 PolarHBondContact O-N 3.47Å
123	S	98.1	Very high	98.2	Very high	39 Å²	39	80.2 Å²	80.2	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-66.5	-43.3	178	-59.7	0	0	0	0	111	V119 K120 L121 G125 L126 F127	V119-S123 VanDerWaalsContact O-CB 3.27Å; V119-S123 WeakPolarHBondContact O-CB 3.37Å; V119-S123 PolarHBondContact O-N 3.18Å; V119-S123 PolarHBondContact O-OG 3.26Å; K120-S123 PolarHBondContact O-N 3.42Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.36Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 2.88Å; S123-L126 PolarHBondContact O-N 3.48Å; S123-F127 WeakPolarHBondContact O-CD2 3.17Å; S123-F127 PolarHBondContact O-N 2.95Å
124	A	98.6	Very high	98.2	Very high	52 Å²	52	82.2 Å²	82.2	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-60.4	-43.6	174	0	0	0	0	0	111.5	K120 L121 L126 F127 V128	K120-A124 WeakPolarHBondContact O-CB 3.3Å; K120-A124 PolarHBondContact O-N 2.9Å; L121-A124 PolarHBondContact O-N 3.32Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 2.87Å; A124-F127 WeakPolarHBondContact O-CB 3.34Å; A124-F127 PolarHBondContact O-N 2.83Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 2.71Å
125	G	98.8	Very high	98.3	Very high	39 Å²	39	78.8 Å²	78.8	40%	0.402	46%	0.458	S	S	.	.	H	α-helix	trans	-58.9	-43.4	173.8	0	0	0	0	0	112.7	L121 A122 S123 F127 V128 L129	L121-G125 PolarHBondContact O-N 3.44Å; A122-G125 PolarHBondContact O-N 3.33Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 2.88Å; G125-F127 PolarHBondContact O-N 3.07Å; G125-V128 PolarHBondContact O-N 2.78Å; G125-L129 WeakPolarHBondContact O-CB 3.5Å; G125-L129 PolarHBondContact O-N 3.37Å
126	L	98.8	Very high	98.4	Very high	19 Å²	19	78.6 Å²	78.6	10%	0.099	46%	0.456	C	S	.	.	H	α-helix	trans	-63.2	-39.9	176.2	178.4	59.4	0	0	0	112.2	L105 A122 S123 A124 S130	L105-L126 HydrophobicContact CB-CD1 3.68Å; L105-L126 HydrophobicContact CB-CD2 4.13Å; L105-L126 HydrophobicContact CD1-CD1 3.78Å; L105-L126 HydrophobicContact CG-CD1 4.41Å; A122-L126 WeakPolarHBondContact O-CB 3.33Å; A122-L126 PolarHBondContact O-N 3.47Å; S123-L126 PolarHBondContact O-N 3.48Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 2.87Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.32Å; L126-S130 PolarHBondContact O-N 3.49Å; L126-S130 PolarHBondContact O-OG 2.92Å
127	F	98.6	Very high	98.5	Very high	126 Å²	126	74.6 Å²	74.6	55%	0.553	44%	0.435	S	S	*	.	H	α-helix	trans	-62.5	-46.5	173.6	-92.7	-74.7	0	0	0	112.3	H102 S123 A124 G125 S130 T131	H102-F127 AromaticContact CE1-CD1 3.93Å; H102-F127 AromaticContact CE1-CE1 3.96Å; H102-F127 AromaticContact NE2-CE1 3.93Å; H102-F127 AromaticContact NE2-CZ 3.88Å; S123-F127 WeakPolarHBondContact O-CD2 3.17Å; S123-F127 PolarHBondContact O-N 2.95Å; A124-F127 WeakPolarHBondContact O-CB 3.34Å; A124-F127 PolarHBondContact O-N 2.83Å; G125-F127 PolarHBondContact O-N 3.07Å; F127-S130 PolarHBondContact O-N 2.84Å; F127-T131 WeakPolarHBondContact O-CB 3.5Å; F127-T131 PolarHBondContact O-N 2.83Å; F127-T131 PolarHBondContact O-OG1 2.89Å
128	V	98.8	Very high	98.6	Very high	95 Å²	95	70.3 Å²	70.3	58%	0.576	41%	0.409	S	S	*	.	H	α-helix	trans	-60.3	-50	176.5	171.2	0	0	0	0	110.3	A124 G125 S130 T131 V132	A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 2.71Å; G125-V128 PolarHBondContact O-N 2.78Å; V128-S130 PolarHBondContact O-N 3.26Å; V128-T131 PolarHBondContact O-N 2.92Å; V128-V132 HydrophobicContact CG1-CG2 4.38Å; V128-V132 WeakPolarHBondContact O-CB 3.11Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.47Å
129	L	98.8	Very high	98.6	Very high	95 Å²	95	71.8 Å²	71.8	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-55.5	-51.6	178.5	177.3	61.8	0	0	0	111	G125 T131 V132 T133	G125-L129 WeakPolarHBondContact O-CB 3.5Å; G125-L129 PolarHBondContact O-N 3.37Å; L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 PolarHBondContact O-N 3.29Å; L129-V132 PolarHBondContact O-N 3.29Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.84Å; L129-T133 PolarHBondContact O-OG1 3.49Å
130	S	98.8	Very high	98.7	Very high	16 Å²	16	72.6 Å²	72.6	11%	0.112	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-38.2	-177	-53.1	0	0	0	0	112	T98 H102 L126 F127 V128 T133 F134	T98-S130 VanDerWaalsContact CG2-O 3.24Å; T98-S130 WeakPolarHBondContact CG2-O 3.07Å; H102-S130 WeakPolarHBondContact ND1-CB 3.38Å; H102-S130 PolarHBondContact ND1-OG 3.44Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.32Å; L126-S130 PolarHBondContact O-N 3.49Å; L126-S130 PolarHBondContact O-OG 2.92Å; F127-S130 PolarHBondContact O-N 2.84Å; V128-S130 PolarHBondContact O-N 3.26Å; S130-T133 PolarHBondContact O-N 2.98Å; S130-F134 WeakPolarHBondContact O-CB 3.36Å; S130-F134 PolarHBondContact O-N 3.25Å
131	T	98.8	Very high	98.7	Very high	89 Å²	89	66.1 Å²	66.1	55%	0.546	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-46.3	177.3	-56.6	0	0	0	0	111.1	F127 V128 L129 F134 A135	F127-T131 WeakPolarHBondContact O-CB 3.5Å; F127-T131 PolarHBondContact O-N 2.83Å; F127-T131 PolarHBondContact O-OG1 2.89Å; V128-T131 PolarHBondContact O-N 2.92Å; L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 PolarHBondContact O-N 3.29Å; T131-F134 PolarHBondContact O-N 3.41Å; T131-A135 VanDerWaalsContact O-CB 3.24Å; T131-A135 WeakPolarHBondContact O-CB 3.3Å; T131-A135 PolarHBondContact O-N 2.97Å
132	V	98.9	Very high	98.7	Very high	97 Å²	97	68.3 Å²	68.3	59%	0.588	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-42.5	177.2	171.2	0	0	0	0	110.6	V128 L129 G136	V128-V132 HydrophobicContact CG1-CG2 4.38Å; V128-V132 WeakPolarHBondContact O-CB 3.11Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.47Å; L129-V132 PolarHBondContact O-N 3.29Å; V132-G136 PolarHBondContact O-N 3.35Å
133	T	98.9	Very high	98.7	Very high	60 Å²	60	71 Å²	71	37%	0.368	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-50.3	175.4	-61.3	0	0	0	0	111.4	T98 L129 S130 A135 G136 L137	T98-T133 HydrophobicContact CG2-CG2 4.19Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.84Å; L129-T133 PolarHBondContact O-OG1 3.49Å; S130-T133 PolarHBondContact O-N 2.98Å; T133-A135 PolarHBondContact O-N 3.28Å; T133-G136 PolarHBondContact O-N 2.89Å; T133-L137 HydrophobicContact CG2-CD1 4.07Å; T133-L137 HydrophobicContact CG2-CG 4.48Å; T133-L137 WeakPolarHBondContact O-CB 3.24Å; T133-L137 WeakPolarHBondContact O-CG 3.42Å; T133-L137 PolarHBondContact O-N 2.91Å
134	F	98.9	Very high	98.7	Very high	88 Å²	88	73.6 Å²	73.6	39%	0.386	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-45.6	-179.4	-179.5	-117.3	0	0	0	111.8	A94 A95 T98 S130 T131 G136 L137 C138	A94-F134 HydrophobicContact CB-CE2 4.44Å; A95-F134 HydrophobicContact CB-CE2 3.91Å; T98-F134 HydrophobicContact CG2-CB 3.83Å; S130-F134 WeakPolarHBondContact O-CB 3.36Å; S130-F134 PolarHBondContact O-N 3.25Å; T131-F134 PolarHBondContact O-N 3.41Å; F134-G136 PolarHBondContact O-N 3.4Å; F134-L137 PolarHBondContact O-N 3.1Å; F134-C138 VanDerWaalsContact CE2-SG 3.53Å; F134-C138 WeakPolarHBondContact CZ-SG 3.39Å; F134-C138 WeakPolarHBondContact O-CB 3.45Å; F134-C138 PolarHBondContact O-N 3.41Å; F134-C138 PolarHBondContact O-SG 3.4Å
135	A	98.8	Very high	98.7	Very high	55 Å²	55	74.1 Å²	74.1	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.3	0	0	0	0	0	111.5	T131 T133 C138 Y139	T131-A135 VanDerWaalsContact O-CB 3.24Å; T131-A135 WeakPolarHBondContact O-CB 3.3Å; T131-A135 PolarHBondContact O-N 2.97Å; T133-A135 PolarHBondContact O-N 3.28Å; A135-C138 PolarHBondContact O-N 3.28Å; A135-Y139 VanDerWaalsContact O-CB 3.28Å; A135-Y139 WeakPolarHBondContact O-CB 3.45Å; A135-Y139 PolarHBondContact O-N 2.9Å
136	G	98.9	Very high	98.7	Very high	38 Å²	38	72.3 Å²	72.3	39%	0.392	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.6	0	0	0	0	0	112.5	V132 T133 F134 Y139 F140	V132-G136 PolarHBondContact O-N 3.35Å; T133-G136 PolarHBondContact O-N 2.89Å; F134-G136 PolarHBondContact O-N 3.4Å; G136-Y139 PolarHBondContact O-N 2.86Å; G136-F140 WeakPolarHBondContact O-CB 3.42Å; G136-F140 PolarHBondContact O-N 3.33Å
137	L	98.8	Very high	98.7	Very high	47 Å²	47	72.3 Å²	72.3	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-40.1	175	-69.4	175.5	0	0	0	111.9	A94 T133 F134 F140 N141 I147	A94-L137 HydrophobicContact CB-CB 3.76Å; A94-L137 HydrophobicContact CB-CD1 4.27Å; T133-L137 HydrophobicContact CG2-CD1 4.07Å; T133-L137 HydrophobicContact CG2-CG 4.48Å; T133-L137 WeakPolarHBondContact O-CB 3.24Å; T133-L137 WeakPolarHBondContact O-CG 3.42Å; T133-L137 PolarHBondContact O-N 2.91Å; F134-L137 PolarHBondContact O-N 3.1Å; L137-F140 PolarHBondContact O-N 2.82Å; L137-N141 WeakPolarHBondContact O-CB 3.34Å; L137-N141 PolarHBondContact O-N 2.71Å; L137-N141 PolarHBondContact O-ND2 2.95Å; L137-I147 HydrophobicContact CD2-CD1 4.19Å; L137-I147 HydrophobicContact CD2-CG1 4.43Å
138	C	98.9	Very high	98.7	Very high	27 Å²	27	66.9 Å²	66.9	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-40.2	175	-70.8	0	0	0	0	112.1	Y91 F134 A135 N141 Y142	Y91-C138 HydrophobicContact CD1-CB 4.49Å; Y91-C138 HydrophobicContact CE1-CB 3.96Å; Y91-C138 PolarHBondContact OH-O 2.7Å; F134-C138 VanDerWaalsContact CE2-SG 3.53Å; F134-C138 WeakPolarHBondContact CZ-SG 3.39Å; F134-C138 WeakPolarHBondContact O-CB 3.45Å; F134-C138 PolarHBondContact O-N 3.41Å; F134-C138 PolarHBondContact O-SG 3.4Å; A135-C138 PolarHBondContact O-N 3.28Å; C138-N141 PolarHBondContact O-N 2.97Å; C138-Y142 WeakPolarHBondContact O-CB 3.27Å; C138-Y142 PolarHBondContact O-N 3.42Å
139	Y	98.8	Very high	98.6	Very high	157 Å²	157	65.9 Å²	65.9	62%	0.616	35%	0.354	S	S	*	.	H	α-helix	trans	-63.2	-44.8	175	178.6	-87.1	0	0	0	110.8	A135 G136 Y142 N143	A135-Y139 VanDerWaalsContact O-CB 3.28Å; A135-Y139 WeakPolarHBondContact O-CB 3.45Å; A135-Y139 PolarHBondContact O-N 2.9Å; G136-Y139 PolarHBondContact O-N 2.86Å; Y139-Y142 PolarHBondContact O-N 3.24Å; Y139-N143 HydrophobicContact CD1-CB 4.45Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.13Å; Y139-N143 HydrophobicContact CE1-CB 4.02Å; Y139-N143 HydrophobicContact CE2-CB 4.33Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.28Å; Y139-N143 WeakPolarHBondContact O-CB 3.32Å; Y139-N143 PolarHBondContact O-N 3.22Å; Y139-N143 PolarHBondContact O-ND2 2.73Å
140	F	98.8	Very high	98.6	Very high	62 Å²	62	62.6 Å²	62.6	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-42.6	176	-177.2	-101.7	0	0	0	111.9	G136 L137 Y142 D144 V145 I147 A150	G136-F140 WeakPolarHBondContact O-CB 3.42Å; G136-F140 PolarHBondContact O-N 3.33Å; L137-F140 PolarHBondContact O-N 2.82Å; F140-Y142 VanDerWaalsContact C-N 3.26Å; F140-Y142 PolarHBondContact O-N 3.47Å; F140-D144 HydrophobicContact CD2-CB 3.65Å; F140-D144 HydrophobicContact CE2-CB 3.69Å; F140-D144 VanDerWaalsContact CE2-OD2 3.3Å; F140-D144 WeakPolarHBondContact CE2-OD2 3.27Å; F140-D144 HydrophobicContact CG-CB 4.28Å; F140-D144 HydrophobicContact CZ-CB 4.36Å; F140-D144 CarbonylContact O-C 3.45Å; F140-D144 WeakPolarHBondContact O-CA 3.49Å; F140-D144 VanDerWaalsContact O-CB 3.22Å; F140-D144 WeakPolarHBondContact O-CB 3.28Å; F140-D144 PolarHBondContact O-N 2.92Å; F140-V145 HydrophobicContact CZ-CG2 4Å; F140-I147 HydrophobicContact CD1-CG1 4.39Å; F140-A150 HydrophobicContact CE1-CB 3.65Å; F140-A150 HydrophobicContact CZ-CB 3.58Å
141	N	98.8	Very high	98.5	Very high	19 Å²	19	66.5 Å²	66.5	10%	0.102	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-28.8	174.7	-72	-17	0	0	0	113.6	D90 Y91 L137 C138 I147	D90-N141 PolarHBondContact O-ND2 2.82Å; Y91-N141 HydrophobicContact CD1-CB 4.35Å; Y91-N141 HydrophobicContact CE1-CB 3.85Å; Y91-N141 HydrophobicContact CE2-CB 4.12Å; L137-N141 WeakPolarHBondContact O-CB 3.34Å; L137-N141 PolarHBondContact O-N 2.71Å; L137-N141 PolarHBondContact O-ND2 2.95Å; C138-N141 PolarHBondContact O-N 2.97Å; N141-I147 VanDerWaalsContact OD1-CG1 3.32Å; N141-I147 WeakPolarHBondContact OD1-CG1 3.35Å; N141-I147 PolarHBondContact OD1-N 3.44Å; N141-I147 VanDerWaalsContact OD1-N 3.13Å
142	Y	98.6	Very high	98.5	Very high	179 Å²	179	65.2 Å²	65.2	70%	0.702	36%	0.357	S	S	*	.	H	α-helix	trans	-88.8	-41.3	-177.7	-167.6	-97.5	0	0	0	113.2	Y91 C138 Y139 F140	Y91-Y142 WeakPolarHBondContact OH-CB 3.5Å; Y91-Y142 PolarHBondContact OH-N 3.48Å; C138-Y142 WeakPolarHBondContact O-CB 3.27Å; C138-Y142 PolarHBondContact O-N 3.42Å; Y139-Y142 PolarHBondContact O-N 3.24Å; F140-Y142 VanDerWaalsContact C-N 3.26Å; F140-Y142 PolarHBondContact O-N 3.47Å
143	N	98.6	Very high	98.4	Very high	91 Å²	91	65 Å²	65	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-107	-6.1	-169.2	-59.5	-84.9	0	0	0	113.3	Y139	Y139-N143 HydrophobicContact CD1-CB 4.45Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.13Å; Y139-N143 HydrophobicContact CE1-CB 4.02Å; Y139-N143 HydrophobicContact CE2-CB 4.33Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.28Å; Y139-N143 WeakPolarHBondContact O-CB 3.32Å; Y139-N143 PolarHBondContact O-N 3.22Å; Y139-N143 PolarHBondContact O-ND2 2.73Å
144	D	98.3	Very high	98.4	Very high	95 Å²	95	68 Å²	68	51%	0.508	37%	0.365	S	S	.	.	S	Bend	trans	-133.1	-168.1	-178.9	-149.9	-31.7	0	0	0	109.9	F140 G146	F140-D144 HydrophobicContact CD2-CB 3.65Å; F140-D144 HydrophobicContact CE2-CB 3.69Å; F140-D144 VanDerWaalsContact CE2-OD2 3.3Å; F140-D144 WeakPolarHBondContact CE2-OD2 3.27Å; F140-D144 HydrophobicContact CG-CB 4.28Å; F140-D144 HydrophobicContact CZ-CB 4.36Å; F140-D144 CarbonylContact O-C 3.45Å; F140-D144 WeakPolarHBondContact O-CA 3.49Å; F140-D144 VanDerWaalsContact O-CB 3.22Å; F140-D144 WeakPolarHBondContact O-CB 3.28Å; F140-D144 PolarHBondContact O-N 2.92Å; D144-G146 PolarHBondContact O-N 3.32Å
145	V	97.7	Very high	98.3	Very high	62 Å²	62	74.2 Å²	74.2	38%	0.376	39%	0.386	S	S	.	.	S	Bend	trans	-65.6	-17.4	-172.9	-64.3	0	0	0	0	115.2	F140 N149 A150 L153	F140-V145 HydrophobicContact CZ-CG2 4Å; V145-N149 HydrophobicContact CB-CB 4.22Å; V145-N149 WeakPolarHBondContact O-CB 3.34Å; V145-N149 PolarHBondContact O-ND2 2.87Å; V145-A150 HydrophobicContact CG2-CB 3.83Å; V145-L153 HydrophobicContact CB-CD1 4.4Å; V145-L153 HydrophobicContact CG1-CD1 4.11Å; V145-L153 HydrophobicContact CG2-CD1 4.27Å
146	G	98.3	Very high	98	Very high	1 Å²	1	76 Å²	76	1%	0.01	40%	0.395	C	S	.	.			trans	84.1	155.6	-174.7	0	0	0	0	0	114.3	D144 C148 N149 A150	D144-G146 PolarHBondContact O-N 3.32Å; G146-C148 PolarHBondContact O-N 3.44Å; G146-N149 PolarHBondContact O-N 2.88Å; G146-A150 WeakPolarHBondContact O-CB 3.21Å; G146-A150 PolarHBondContact O-N 2.97Å
147	I	98.6	Very high	96.9	Very high	19 Å²	19	85.6 Å²	85.6	10%	0.097	43%	0.426	C	S	.	.	H	α-helix	trans	-55.5	-50.4	-170.6	-68.7	159.4	0	0	0	112.7	D90 L93 A94 L137 F140 N141 A150 I151	D90-I147 PolarHBondContact OD1-N 3.16Å; L93-I147 HydrophobicContact CB-CD1 4.47Å; L93-I147 HydrophobicContact CD1-CG2 4.22Å; A94-I147 HydrophobicContact CB-CD1 3.99Å; L137-I147 HydrophobicContact CD2-CD1 4.19Å; L137-I147 HydrophobicContact CD2-CG1 4.43Å; F140-I147 HydrophobicContact CD1-CG1 4.39Å; N141-I147 VanDerWaalsContact OD1-CG1 3.32Å; N141-I147 WeakPolarHBondContact OD1-CG1 3.35Å; N141-I147 PolarHBondContact OD1-N 3.44Å; N141-I147 VanDerWaalsContact OD1-N 3.13Å; I147-A150 PolarHBondContact O-N 3.49Å; I147-I151 HydrophobicContact CG2-CD1 3.91Å; I147-I151 WeakPolarHBondContact O-CG1 3.43Å; I147-I151 PolarHBondContact O-N 2.94Å
148	C	98.4	Very high	96.8	Very high	13 Å²	13	87.5 Å²	87.5	9%	0.088	44%	0.435	C	S	.	.	H	α-helix	trans	-61.3	-49	-176.7	-66.2	0	0	0	0	111.2	P85 D90 G146 I151 A152	P85-C148 HydrophobicContact CB-CB 3.72Å; D90-C148 WeakPolarHBondContact OD1-CB 3.44Å; D90-C148 PolarHBondContact OD1-N 2.91Å; D90-C148 PolarHBondContact OD1-SG 3.31Å; G146-C148 PolarHBondContact O-N 3.44Å; C148-I151 PolarHBondContact O-N 2.89Å; C148-A152 PolarHBondContact O-N 2.95Å
149	N	97.9	Very high	96.7	Very high	74 Å²	74	90.7 Å²	90.7	40%	0.396	45%	0.448	S	S	.	.	H	α-helix	trans	-68.9	-36.6	179.3	-66.6	-37.2	0	0	0	111.8	V145 G146 I151 A152 L153	V145-N149 HydrophobicContact CB-CB 4.22Å; V145-N149 WeakPolarHBondContact O-CB 3.34Å; V145-N149 PolarHBondContact O-ND2 2.87Å; G146-N149 PolarHBondContact O-N 2.88Å; N149-I151 VanDerWaalsContact C-N 3.3Å; N149-I151 PolarHBondContact O-N 2.96Å; N149-A152 PolarHBondContact O-N 3.35Å; N149-L153 WeakPolarHBondContact O-CB 3.49Å; N149-L153 VanDerWaalsContact O-CG 3.27Å; N149-L153 WeakPolarHBondContact O-CG 3.29Å; N149-L153 PolarHBondContact O-N 3.46Å
150	A	98.3	Very high	96.6	Very high	26 Å²	26	87 Å²	87	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-58.8	-44.2	175.6	0	0	0	0	0	111.4	F140 V145 G146 I147 L153 L154	F140-A150 HydrophobicContact CE1-CB 3.65Å; F140-A150 HydrophobicContact CZ-CB 3.58Å; V145-A150 HydrophobicContact CG2-CB 3.83Å; G146-A150 WeakPolarHBondContact O-CB 3.21Å; G146-A150 PolarHBondContact O-N 2.97Å; I147-A150 PolarHBondContact O-N 3.49Å; A150-L153 PolarHBondContact O-N 3.37Å; A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.5Å; A150-L154 PolarHBondContact O-N 3.15Å
151	I	97.8	Very high	96.5	Very high	98 Å²	98	88.5 Å²	88.5	50%	0.503	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-44.1	176	-67.2	167.7	0	0	0	110.6	I147 C148 N149 L153 L154 W155	I147-I151 HydrophobicContact CG2-CD1 3.91Å; I147-I151 WeakPolarHBondContact O-CG1 3.43Å; I147-I151 PolarHBondContact O-N 2.94Å; C148-I151 PolarHBondContact O-N 2.89Å; N149-I151 VanDerWaalsContact C-N 3.3Å; N149-I151 PolarHBondContact O-N 2.96Å; I151-L153 PolarHBondContact O-N 2.98Å; I151-L154 PolarHBondContact O-N 3.46Å; I151-W155 WeakPolarHBondContact O-CB 2.67Å; I151-W155 PolarHBondContact O-N 2.97Å
152	A	97.4	Very high	96.3	Very high	61 Å²	61	92.8 Å²	92.8	50%	0.504	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-44.4	177.6	0	0	0	0	0	112.1	C148 N149 W155 S156	C148-A152 PolarHBondContact O-N 2.95Å; N149-A152 PolarHBondContact O-N 3.35Å; A152-W155 PolarHBondContact O-N 2.85Å; A152-S156 WeakPolarHBondContact O-CB 3.47Å; A152-S156 PolarHBondContact O-N 3.38Å
153	L	97.8	Very high	96.2	Very high	94 Å²	94	87.1 Å²	87.1	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.1	-71.6	171.1	0	0	0	111.5	V145 N149 A150 I151 W155 S156	V145-L153 HydrophobicContact CB-CD1 4.4Å; V145-L153 HydrophobicContact CG1-CD1 4.11Å; V145-L153 HydrophobicContact CG2-CD1 4.27Å; N149-L153 WeakPolarHBondContact O-CB 3.49Å; N149-L153 VanDerWaalsContact O-CG 3.27Å; N149-L153 WeakPolarHBondContact O-CG 3.29Å; N149-L153 PolarHBondContact O-N 3.46Å; A150-L153 PolarHBondContact O-N 3.37Å; I151-L153 PolarHBondContact O-N 2.98Å; L153-W155 VanDerWaalsContact C-N 3.29Å; L153-W155 PolarHBondContact O-N 2.84Å; L153-S156 WeakPolarHBondContact CA-OG 3.37Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 3Å
154	L	97.4	Very high	96	Very high	122 Å²	122	86.8 Å²	86.8	64%	0.639	45%	0.453	S	S	*	.	H	α-helix	trans	-59.4	-39.9	176.5	-179.2	64.1	0	0	0	111.9	A150 I151 S156	A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.5Å; A150-L154 PolarHBondContact O-N 3.15Å; I151-L154 PolarHBondContact O-N 3.46Å; L154-S156 VanDerWaalsContact C-N 3.34Å
155	W	96.9	Very high	95.8	Very high	219 Å²	219	86.2 Å²	86.2	83%	0.83	45%	0.448	S	S	*	.	H	α-helix	trans	-84.2	-8.9	-178.9	-142.8	-94.3	0	0	0	114.1	I151 A152 L153 K157	I151-W155 WeakPolarHBondContact O-CB 2.67Å; I151-W155 PolarHBondContact O-N 2.97Å; A152-W155 PolarHBondContact O-N 2.85Å; L153-W155 VanDerWaalsContact C-N 3.29Å; L153-W155 PolarHBondContact O-N 2.84Å; W155-K157 VanDerWaalsContact C-N 3.29Å
156	S	93.9	Very high	95.7	Very high	91 Å²	91	88.2 Å²	88.2	64%	0.636	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3	174.1	72.8	0	0	0	0	113.3	A152 L153 L154	A152-S156 WeakPolarHBondContact O-CB 3.47Å; A152-S156 PolarHBondContact O-N 3.38Å; L153-S156 WeakPolarHBondContact CA-OG 3.37Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 3Å; L154-S156 VanDerWaalsContact C-N 3.34Å
157	K	75.4	Confident	95.4	Very high	240 Å²	240	96.1 Å²	96.1	100%	1.043	50%	0.495	S	S	*	.			trans	-92.3	0	173	-64	-145	179.7	-176.3	0	111.4	W155	W155-K157 VanDerWaalsContact C-N 3.29Å

Retrieved 157 of 157 residues in 238.4 ms (Link to these results)

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