G4V7H1_SCHMA Loading...

Succinate dehydrogenase cytochrome b560 subunit, mitochondrial

AlphaFold DB , UniProt , Accession G4V7H1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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	36.6	Very low	43.3	Very low	236 Å²	236	162.9 Å²	162.9	100%	1.163	85%	0.853	S	S	*	*				0	112.2	0	-77.2	167.3	165	0	0	107.7
2	S	38.3	Very low	42.9	Very low	123 Å²	123	161.2 Å²	161.2	86%	0.86	85%	0.845	S	S	*	*			trans	-81.6	113.1	-170.4	-175.8	0	0	0	0	110.4
3	F	46	Very low	42.9	Very low	201 Å²	201	162.8 Å²	162.8	88%	0.882	85%	0.853	S	S	*	*			trans	-103.1	106.9	166.7	-93.8	-85.3	0	0	0	108.5
4	S	49.7	Very low	42.8	Very low	84 Å²	84	160.9 Å²	160.9	59%	0.587	85%	0.852	S	S	*	*			trans	-77.1	122	176.4	-172.8	0	0	0	0	110.3	R6	S4-R6 VanDerWaalsContact C-N 3.35Å; S4-R6 PolarHBondContact O-N 2.75Å
5	P	46.3	Very low	42.3	Very low	128 Å²	128	155.1 Å²	155.1	83%	0.831	85%	0.846	S	S	*	*			trans	-89.5	71.6	175.3	34.8	-29.9	0	0	0	109.6
6	R	47.5	Very low	42.1	Very low	222 Å²	222	158.7 Å²	158.7	84%	0.838	85%	0.852	S	S	*	*			trans	-124.1	28.3	177.6	-76.9	-164.5	-176.8	-135.6	3	114.6	S4	S4-R6 VanDerWaalsContact C-N 3.35Å; S4-R6 PolarHBondContact O-N 2.75Å
7	L	43.7	Very low	41.8	Very low	158 Å²	158	156 Å²	156	83%	0.827	85%	0.848	S	S	*	*			trans	-130.6	70.1	175.7	-86.2	139.6	0	0	0	110.6
8	C	45.5	Very low	41.7	Very low	128 Å²	128	157.9 Å²	157.9	87%	0.865	85%	0.85	S	S	*	*	S	Bend	trans	-136.7	16	168.4	-152.7	0	0	0	0	112.8
9	C	44.4	Very low	42	Very low	124 Å²	124	159.4 Å²	159.4	84%	0.838	85%	0.848	S	S	*	*			trans	-142.5	68.6	-179.2	-87.3	0	0	0	0	112.2
10	L	39.9	Very low	42.3	Very low	154 Å²	154	161.5 Å²	161.5	81%	0.806	85%	0.85	S	S	*	*			trans	-139.3	84.6	158.4	-81.9	163.3	0	0	0	103.9
11	R	38.6	Very low	42.5	Very low	234 Å²	234	156.7 Å²	156.7	88%	0.883	84%	0.84	S	S	*	*				32.4	114.7	71.8	-125.6	178.5	-151.1	-154.9	5.1	113.3
12	N	37.9	Very low	42.7	Very low	142 Å²	142	152.1 Å²	152.1	76%	0.759	83%	0.828	S	S	*	*			trans	84	82.6	176.9	-73.2	-5	0	0	0	117.6
13	L	43.5	Very low	43.3	Very low	182 Å²	182	152.3 Å²	152.3	95%	0.953	82%	0.823	S	S	*	*			trans	-136.2	89.1	138.7	-74.5	177.7	0	0	0	108.8
14	T	41.9	Very low	43.4	Very low	137 Å²	137	147.5 Å²	147.5	84%	0.84	81%	0.814	S	S	*	*			trans	-72.7	120.1	157.9	44.3	0	0	0	0	107.9
15	G	34.5	Very low	43.1	Very low	74 Å²	74	153.2 Å²	153.2	76%	0.763	83%	0.829	S	S	*	*			trans	153.6	61.9	170.1	0	0	0	0	0	115.2
16	F	38.7	Very low	43.2	Very low	212 Å²	212	152.9 Å²	152.9	93%	0.93	82%	0.824	S	S	*	*			trans	-162.6	80	161.5	-147.6	-100.9	0	0	0	111.2
17	S	38.3	Very low	43.2	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	82%	0.821	S	S	*	*			trans	-158.3	74.4	169	63.5	0	0	0	0	111.5
18	E	38.6	Very low	43.6	Very low	191 Å²	191	146.4 Å²	146.4	89%	0.893	82%	0.82	S	S	*	*			trans	-140.8	68.7	171.5	-77.4	-86.8	157	0	0	107.5
19	F	47.3	Very low	43.5	Very low	185 Å²	185	142.5 Å²	142.5	81%	0.811	80%	0.802	S	S	*	*			trans	-159.8	8.5	172.2	-148	-107.7	0	0	0	119
20	F	48.1	Very low	43.9	Very low	202 Å²	202	144.9 Å²	144.9	89%	0.886	81%	0.805	S	S	*	*			trans	-135.1	126.8	174.9	-79.4	-83.5	0	0	0	112.1
21	G	48	Very low	44.7	Very low	61 Å²	61	145.4 Å²	145.4	63%	0.629	81%	0.808	S	S	*	*			trans	-65.9	-173.2	-168.8	0	0	0	0	0	116.6	V23	G21-V23 PolarHBondContact O-N 3.42Å
22	P	39.6	Very low	45.7	Very low	140 Å²	140	145.1 Å²	145.1	91%	0.909	81%	0.807	S	S	*	*			trans	-78	99	-159.8	31.8	-32.6	0	0	0	110.8	S24	P22-S24 PolarHBondContact O-N 3Å
23	V	52.6	Low	46.6	Very low	127 Å²	127	142 Å²	142	77%	0.77	80%	0.795	S	S	*	*			trans	-67.7	129.1	159.4	178.2	0	0	0	0	107.4	G21 K25	G21-V23 PolarHBondContact O-N 3.42Å; V23-K25 PolarHBondContact O-N 3.24Å; V23-K25 VanDerWaalsContact O-N 3.13Å
24	S	47.5	Very low	47.3	Very low	99 Å²	99	136.7 Å²	136.7	69%	0.692	77%	0.772	S	S	*	*			trans	-46.1	118.1	178.4	49.6	0	0	0	0	111	P22 V26	P22-S24 PolarHBondContact O-N 3Å; S24-V26 PolarHBondContact O-N 3.41Å
25	K	43.7	Very low	48.3	Very low	205 Å²	205	135 Å²	135	89%	0.891	77%	0.766	S	S	*	*			trans	-65.2	96.6	172.1	-75.6	-176.9	178.9	172.4	0	108.1	V23 S27	V23-K25 PolarHBondContact O-N 3.24Å; V23-K25 VanDerWaalsContact O-N 3.13Å; K25-S27 PolarHBondContact O-N 2.95Å; K25-S27 VanDerWaalsContact O-N 3.11Å
26	V	48.7	Very low	49.5	Very low	120 Å²	120	137.7 Å²	137.7	73%	0.727	76%	0.762	S	S	*	*			trans	-56.7	116.1	156	174.9	0	0	0	0	105.9	S24 V28	S24-V26 PolarHBondContact O-N 3.41Å; V26-V28 VanDerWaalsContact C-N 3.26Å; V26-V28 PolarHBondContact O-N 3.14Å
27	S	45.5	Very low	50.5	Low	112 Å²	112	130.7 Å²	130.7	78%	0.783	74%	0.736	S	S	*	*			trans	-62.9	90.8	173.5	-177.9	0	0	0	0	108	K25 G29	K25-S27 PolarHBondContact O-N 2.95Å; K25-S27 VanDerWaalsContact O-N 3.11Å; S27-G29 PolarHBondContact O-N 3.19Å
28	V	52.1	Low	51.3	Low	132 Å²	132	134.4 Å²	134.4	80%	0.8	73%	0.733	S	S	*	*			trans	-70.8	93.6	165.1	-172.6	0	0	0	0	104.9	V26 L30	V26-V28 VanDerWaalsContact C-N 3.26Å; V26-V28 PolarHBondContact O-N 3.14Å; V28-L30 PolarHBondContact O-N 2.85Å
29	G	44.7	Very low	52.3	Low	47 Å²	47	129.7 Å²	129.7	49%	0.485	72%	0.717	S	S	.	*			trans	-43.8	132.1	174.5	0	0	0	0	0	109.9	S27 L31	S27-G29 PolarHBondContact O-N 3.19Å; G29-L31 PolarHBondContact O-N 3.46Å
30	L	52.4	Low	52.7	Low	174 Å²	174	123.5 Å²	123.5	91%	0.911	70%	0.697	S	S	*	*			trans	-62.5	67	-175.5	-161.7	86.8	0	0	0	111.5	V28 R32	V28-L30 PolarHBondContact O-N 2.85Å; L30-R32 PolarHBondContact O-N 2.91Å
31	L	57.3	Low	53.1	Low	165 Å²	165	121.5 Å²	121.5	86%	0.864	69%	0.688	S	S	*	*			trans	-74.7	87.2	165.3	-73.2	173.6	0	0	0	106.7	G29 P33	G29-L31 PolarHBondContact O-N 3.46Å; L31-P33 VanDerWaalsContact O-CD 3.29Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å
32	R	59.4	Low	53.5	Low	227 Å²	227	122.1 Å²	122.1	86%	0.857	69%	0.687	S	S	*	*			trans	-48.2	113.9	167.5	-161.2	179.6	-165.2	-166.8	4.6	106.1	L30 S34	L30-R32 PolarHBondContact O-N 2.91Å; R32-S34 PolarHBondContact O-N 2.89Å
33	P	57.1	Low	54.5	Low	78 Å²	78	118.6 Å²	118.6	51%	0.506	67%	0.67	S	S	.	*			trans	-56.8	119.9	178.7	19.7	-28.8	0	0	0	106.7	L31 V37	L31-P33 VanDerWaalsContact O-CD 3.29Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-V37 HydrophobicContact CB-CB 4.45Å
34	S	58	Low	54.7	Low	69 Å²	69	120.5 Å²	120.5	48%	0.483	67%	0.668	S	S	.	*			trans	-52.3	145.6	-179.8	40.1	0	0	0	0	109.1	R32 I36 V37 R38	R32-S34 PolarHBondContact O-N 2.89Å; S34-I36 PolarHBondContact O-N 3.27Å; S34-V37 PolarHBondContact O-N 3.4Å; S34-R38 PolarHBondContact O-N 3.03Å
35	S	62	Low	55.2	Low	102 Å²	102	117.5 Å²	117.5	71%	0.713	65%	0.653	S	S	*	*	H	α-helix	trans	-49.8	-29.8	-177.5	-51.5	0	0	0	0	112.4	R38 T39	S35-R38 PolarHBondContact O-N 2.79Å; S35-T39 WeakPolarHBondContact O-CG2 3.35Å; S35-T39 PolarHBondContact O-N 2.77Å; S35-T39 PolarHBondContact O-OG1 3.48Å
36	I	60.6	Low	56	Low	131 Å²	131	110.8 Å²	110.8	67%	0.672	63%	0.632	S	S	*	*	H	α-helix	trans	-62.8	-38.4	175.1	-64.6	166.3	0	0	0	113.4	S34 R38 T39 S40	S34-I36 PolarHBondContact O-N 3.27Å; I36-R38 VanDerWaalsContact C-N 3.32Å; I36-T39 PolarHBondContact O-OG1 3.4Å; I36-T39 VanDerWaalsContact O-OG1 3.12Å; I36-S40 WeakPolarHBondContact O-CB 3.04Å; I36-S40 PolarHBondContact O-N 2.95Å; I36-S40 PolarHBondContact O-OG 3.08Å
37	V	59	Low	57	Low	65 Å²	65	109.5 Å²	109.5	39%	0.394	62%	0.624	S	S	.	*	H	α-helix	trans	-72.9	-29.9	176.6	178.9	0	0	0	0	110.9	P33 S34 S40 K41	P33-V37 HydrophobicContact CB-CB 4.45Å; S34-V37 PolarHBondContact O-N 3.4Å; V37-S40 WeakPolarHBondContact CA-OG 3.33Å; V37-S40 PolarHBondContact O-OG 3.32Å; V37-S40 VanDerWaalsContact O-OG 3.07Å; V37-K41 PolarHBondContact O-N 3.12Å
38	R	56.1	Low	58.7	Low	190 Å²	190	107.3 Å²	107.3	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-75.4	-39.5	178.6	-154.8	-179.7	-104.4	-163.1	-5.2	111.8	S34 S35 I36 A42	S34-R38 PolarHBondContact O-N 3.03Å; S35-R38 PolarHBondContact O-N 2.79Å; I36-R38 VanDerWaalsContact C-N 3.32Å; R38-A42 PolarHBondContact O-N 3.35Å
39	T	58.3	Low	60.4	Low	92 Å²	92	104.8 Å²	104.8	56%	0.564	59%	0.589	S	S	*	*	H	α-helix	trans	-70.2	-37.5	176.3	55.1	0	0	0	0	112.7	S35 I36 A42 A43	S35-T39 WeakPolarHBondContact O-CG2 3.35Å; S35-T39 PolarHBondContact O-N 2.77Å; S35-T39 PolarHBondContact O-OG1 3.48Å; I36-T39 PolarHBondContact O-OG1 3.4Å; I36-T39 VanDerWaalsContact O-OG1 3.12Å; T39-A42 PolarHBondContact O-N 3.32Å; T39-A43 WeakPolarHBondContact O-CB 3.27Å; T39-A43 PolarHBondContact O-N 3.03Å
40	S	56.7	Low	62.4	Low	55 Å²	55	109.7 Å²	109.7	39%	0.385	60%	0.597	S	S	.	*	H	α-helix	trans	-67.3	-36.3	177.6	54.5	0	0	0	0	113.5	I36 V37 K44	I36-S40 WeakPolarHBondContact O-CB 3.04Å; I36-S40 PolarHBondContact O-N 2.95Å; I36-S40 PolarHBondContact O-OG 3.08Å; V37-S40 WeakPolarHBondContact CA-OG 3.33Å; V37-S40 PolarHBondContact O-OG 3.32Å; V37-S40 VanDerWaalsContact O-OG 3.07Å; S40-K44 PolarHBondContact O-N 3.21Å
41	K	55.4	Low	64.2	Low	160 Å²	160	105.9 Å²	105.9	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-66.2	-39.9	170.7	-81.8	-173.5	176.3	-177.6	0	112.3	V37 G45	V37-K41 PolarHBondContact O-N 3.12Å; K41-G45 PolarHBondContact O-N 2.9Å
42	A	57.6	Low	65.8	Low	74 Å²	74	104.7 Å²	104.7	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-65.3	-39.4	176.1	0	0	0	0	0	112.2	R38 T39 G45	R38-A42 PolarHBondContact O-N 3.35Å; T39-A42 PolarHBondContact O-N 3.32Å; A42-G45 PolarHBondContact O-N 2.83Å
43	A	59	Low	67.4	Low	67 Å²	67	100.1 Å²	100.1	55%	0.554	55%	0.547	S	S	*	.	H	α-helix	trans	-68.5	-41.4	176.7	0	0	0	0	0	112.9	T39 G45	T39-A43 WeakPolarHBondContact O-CB 3.27Å; T39-A43 PolarHBondContact O-N 3.03Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.01Å
44	K	56.8	Low	69.2	Low	166 Å²	166	101 Å²	101	72%	0.722	55%	0.545	S	S	*	.	H	α-helix	trans	-69.3	-27.6	175.8	-78.1	-177.6	176.4	-178.9	0	113.4	S40 S46 S48	S40-K44 PolarHBondContact O-N 3.21Å; K44-S46 PolarHBondContact O-N 2.9Å; K44-S48 PolarHBondContact O-N 3.4Å
45	G	59	Low	71	Confident	37 Å²	37	99.5 Å²	99.5	38%	0.381	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-35.9	179	0	0	0	0	0	113.8	K41 A42 A43 S48 E49	K41-G45 PolarHBondContact O-N 2.9Å; A42-G45 PolarHBondContact O-N 2.83Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.01Å; G45-S48 PolarHBondContact O-N 3.47Å; G45-E49 WeakPolarHBondContact O-CB 3.26Å; G45-E49 PolarHBondContact O-N 3.4Å
46	S	60.5	Low	72.6	Confident	64 Å²	64	98.1 Å²	98.1	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-66.8	-42.4	-178.7	-177.1	0	0	0	0	112.6	K44 K50	K44-S46 PolarHBondContact O-N 2.9Å; S46-K50 WeakPolarHBondContact O-CG 3.4Å; S46-K50 PolarHBondContact O-N 3.36Å
47	T	69.1	Low	74.3	Confident	92 Å²	92	98.9 Å²	98.9	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-69.3	-41.2	177.1	-26.6	0	0	0	0	111	K50 V51	T47-K50 PolarHBondContact O-N 3.18Å; T47-V51 WeakPolarHBondContact O-CB 3.44Å; T47-V51 WeakPolarHBondContact O-CG2 3.22Å; T47-V51 PolarHBondContact O-N 3.16Å
48	S	80.9	Confident	76.1	Confident	67 Å²	67	101 Å²	101	47%	0.469	52%	0.523	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176.9	-176.5	0	0	0	0	112	K44 G45 V51 R52	K44-S48 PolarHBondContact O-N 3.4Å; G45-S48 PolarHBondContact O-N 3.47Å; S48-V51 PolarHBondContact O-N 3.09Å; S48-R52 WeakPolarHBondContact O-CB 3.41Å; S48-R52 WeakPolarHBondContact O-CG 3.5Å; S48-R52 PolarHBondContact O-N 3.41Å
49	E	87.5	Confident	78	Confident	78 Å²	78	96.8 Å²	96.8	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-44.6	178.9	-172.3	64.6	-169.8	0	0	111.5	G45 V51 R52 R53	G45-E49 WeakPolarHBondContact O-CB 3.26Å; G45-E49 PolarHBondContact O-N 3.4Å; E49-V51 VanDerWaalsContact C-N 3.32Å; E49-V51 PolarHBondContact O-N 3.45Å; E49-R52 PolarHBondContact O-N 3.46Å; E49-R52 IonicContact OE2-NE 2.84Å; E49-R53 HydrophobicContact CG-CG 4.41Å; E49-R53 VanDerWaalsContact O-CG 3.25Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 2.99Å; E49-R53 IonicContact OE1-CZ 3.22Å; E49-R53 VanDerWaalsContact OE1-CZ 3.22Å; E49-R53 IonicContact OE1-NE 2.84Å; E49-R53 PolarHBondContact OE1-NE 3.33Å; E49-R53 IonicContact OE1-NH2 2.84Å; E49-R53 PolarHBondContact OE1-NH2 3.42Å
50	K	88.4	Confident	79.9	Confident	151 Å²	151	97.5 Å²	97.5	66%	0.657	51%	0.509	S	S	*	.	H	α-helix	trans	-57.9	-43.9	175.1	-74.4	-179.9	-177.8	-175.6	0	112.1	S46 T47 R53 Q54	S46-K50 WeakPolarHBondContact O-CG 3.4Å; S46-K50 PolarHBondContact O-N 3.36Å; T47-K50 PolarHBondContact O-N 3.18Å; K50-R53 PolarHBondContact O-N 2.94Å; K50-Q54 WeakPolarHBondContact O-CB 3.45Å; K50-Q54 PolarHBondContact O-N 2.93Å
51	V	89.5	Confident	81.8	Confident	94 Å²	94	98.2 Å²	98.2	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-44.2	177	171.3	0	0	0	0	111.1	T47 S48 E49 R53 Q54 A55	T47-V51 WeakPolarHBondContact O-CB 3.44Å; T47-V51 WeakPolarHBondContact O-CG2 3.22Å; T47-V51 PolarHBondContact O-N 3.16Å; S48-V51 PolarHBondContact O-N 3.09Å; E49-V51 VanDerWaalsContact C-N 3.32Å; E49-V51 PolarHBondContact O-N 3.45Å; V51-R53 PolarHBondContact O-N 2.93Å; V51-Q54 PolarHBondContact O-N 3.15Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.84Å
52	R	90.7	Very high	83.8	Confident	139 Å²	139	95.1 Å²	95.1	53%	0.525	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-46.4	175.4	-72.8	170.5	65.6	82.6	11.5	111.7	S48 E49 Q54 A55 E56	S48-R52 WeakPolarHBondContact O-CB 3.41Å; S48-R52 WeakPolarHBondContact O-CG 3.5Å; S48-R52 PolarHBondContact O-N 3.41Å; E49-R52 PolarHBondContact O-N 3.46Å; E49-R52 IonicContact OE2-NE 2.84Å; R52-Q54 PolarHBondContact O-N 3.01Å; R52-A55 PolarHBondContact O-N 2.87Å; R52-E56 WeakPolarHBondContact O-CG 3.27Å; R52-E56 PolarHBondContact O-N 2.85Å
53	R	93.1	Very high	85.6	Confident	131 Å²	131	98.2 Å²	98.2	49%	0.494	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-38.9	178.2	-66.2	-62.2	173.2	-169.8	1.9	112.8	E49 K50 V51 E56 K57	E49-R53 HydrophobicContact CG-CG 4.41Å; E49-R53 VanDerWaalsContact O-CG 3.25Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 2.99Å; E49-R53 IonicContact OE1-CZ 3.22Å; E49-R53 VanDerWaalsContact OE1-CZ 3.22Å; E49-R53 IonicContact OE1-NE 2.84Å; E49-R53 PolarHBondContact OE1-NE 3.33Å; E49-R53 IonicContact OE1-NH2 2.84Å; E49-R53 PolarHBondContact OE1-NH2 3.42Å; K50-R53 PolarHBondContact O-N 2.94Å; V51-R53 PolarHBondContact O-N 2.93Å; R53-E56 WeakPolarHBondContact CD-OE2 3.2Å; R53-E56 IonicContact CZ-OE2 3.71Å; R53-E56 IonicContact NE-OE2 3.91Å; R53-E56 IonicContact NH1-OE1 3.89Å; R53-E56 IonicContact NH1-OE2 2.85Å; R53-E56 PolarHBondContact NH1-OE2 3.5Å; R53-E56 PolarHBondContact O-N 2.84Å; R53-K57 WeakPolarHBondContact O-CG 3.46Å; R53-K57 PolarHBondContact O-N 2.88Å; R53-K57 VanDerWaalsContact O-N 3.09Å
54	Q	95	Very high	87.4	Confident	97 Å²	97	99.1 Å²	99.1	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-47.1	175.2	-178.6	58.3	24.5	0	0	110.9	K50 V51 R52 E56 K57 E58	K50-Q54 WeakPolarHBondContact O-CB 3.45Å; K50-Q54 PolarHBondContact O-N 2.93Å; V51-Q54 PolarHBondContact O-N 3.15Å; R52-Q54 PolarHBondContact O-N 3.01Å; Q54-E56 VanDerWaalsContact C-N 3.33Å; Q54-E56 PolarHBondContact O-N 3.06Å; Q54-K57 WeakPolarHBondContact O-CB 3.42Å; Q54-K57 PolarHBondContact O-N 3.34Å; Q54-K57 VanDerWaalsContact O-N 3.16Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.41Å; Q54-E58 PolarHBondContact NE2-OE1 3.27Å; Q54-E58 PolarHBondContact O-N 3.37Å
55	A	94.9	Very high	89.3	Confident	38 Å²	38	97.7 Å²	97.7	31%	0.314	48%	0.483	S	S	.	.	H	α-helix	trans	-59.9	-41.3	175.2	0	0	0	0	0	112.2	V51 R52 K57 E58 M59	V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.84Å; R52-A55 PolarHBondContact O-N 2.87Å; A55-K57 VanDerWaalsContact C-N 3.35Å; A55-K57 PolarHBondContact O-N 3.22Å; A55-E58 PolarHBondContact O-N 3.4Å; A55-M59 WeakPolarHBondContact O-CB 3.11Å; A55-M59 WeakPolarHBondContact O-CE 3.25Å; A55-M59 VanDerWaalsContact O-CG 3.27Å; A55-M59 WeakPolarHBondContact O-CG 3.4Å; A55-M59 PolarHBondContact O-N 3.01Å
56	E	96.2	Very high	91.1	Very high	73 Å²	73	97.7 Å²	97.7	34%	0.341	47%	0.474	S	S	.	.	H	α-helix	trans	-57.1	-45	173.9	-77.1	170.7	-170.9	0	0	112	R52 R53 Q54 M59 Q60	R52-E56 WeakPolarHBondContact O-CG 3.27Å; R52-E56 PolarHBondContact O-N 2.85Å; R53-E56 WeakPolarHBondContact CD-OE2 3.2Å; R53-E56 IonicContact CZ-OE2 3.71Å; R53-E56 IonicContact NE-OE2 3.91Å; R53-E56 IonicContact NH1-OE1 3.89Å; R53-E56 IonicContact NH1-OE2 2.85Å; R53-E56 PolarHBondContact NH1-OE2 3.5Å; R53-E56 PolarHBondContact O-N 2.84Å; Q54-E56 VanDerWaalsContact C-N 3.33Å; Q54-E56 PolarHBondContact O-N 3.06Å; E56-M59 HydrophobicContact CG-CE 4.34Å; E56-Q60 WeakPolarHBondContact O-CB 3.36Å; E56-Q60 PolarHBondContact O-N 3.48Å
57	K	96.8	Very high	92.8	Very high	146 Å²	146	98.1 Å²	98.1	64%	0.635	48%	0.481	S	S	*	.	H	α-helix	trans	-64.4	-45.8	177.3	-72.5	177.5	-180	-176.1	0	112.4	R53 Q54 A55 Q60 S61	R53-K57 WeakPolarHBondContact O-CG 3.46Å; R53-K57 PolarHBondContact O-N 2.88Å; R53-K57 VanDerWaalsContact O-N 3.09Å; Q54-K57 WeakPolarHBondContact O-CB 3.42Å; Q54-K57 PolarHBondContact O-N 3.34Å; Q54-K57 VanDerWaalsContact O-N 3.16Å; A55-K57 VanDerWaalsContact C-N 3.35Å; A55-K57 PolarHBondContact O-N 3.22Å; K57-Q60 PolarHBondContact O-N 2.9Å; K57-S61 PolarHBondContact O-N 3.24Å; K57-S61 PolarHBondContact O-OG 3.38Å
58	E	97	Very high	94.1	Very high	109 Å²	109	99 Å²	99	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-47.2	177.8	-73.2	172.3	-163.7	0	0	111.2	Q54 A55 Q60 S61 F62	Q54-E58 WeakPolarHBondContact CG-OE1 3.41Å; Q54-E58 PolarHBondContact NE2-OE1 3.27Å; Q54-E58 PolarHBondContact O-N 3.37Å; A55-E58 PolarHBondContact O-N 3.4Å; E58-Q60 PolarHBondContact O-N 3.49Å; E58-S61 PolarHBondContact O-N 3.48Å; E58-S61 PolarHBondContact O-OG 3.01Å; E58-F62 PolarHBondContact O-N 3.34Å
59	M	96.8	Very high	94.9	Very high	103 Å²	103	100.9 Å²	100.9	51%	0.507	49%	0.488	S	S	.	.	H	α-helix	trans	-58.9	-46.9	174.7	-71.2	-175.2	-65.4	0	0	111.8	A55 E56 S61 F62 W63	A55-M59 WeakPolarHBondContact O-CB 3.11Å; A55-M59 WeakPolarHBondContact O-CE 3.25Å; A55-M59 VanDerWaalsContact O-CG 3.27Å; A55-M59 WeakPolarHBondContact O-CG 3.4Å; A55-M59 PolarHBondContact O-N 3.01Å; E56-M59 HydrophobicContact CG-CE 4.34Å; M59-S61 PolarHBondContact O-N 3.32Å; M59-F62 WeakPolarHBondContact O-CB 3.33Å; M59-F62 PolarHBondContact O-N 3.09Å; M59-W63 PolarHBondContact O-N 3.08Å
60	Q	97.3	Very high	95.2	Very high	106 Å²	106	106 Å²	106	50%	0.495	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-47.8	-180	-171.5	63.6	46.2	0	0	111.4	E56 K57 E58 F62 W63 D64	E56-Q60 WeakPolarHBondContact O-CB 3.36Å; E56-Q60 PolarHBondContact O-N 3.48Å; K57-Q60 PolarHBondContact O-N 2.9Å; E58-Q60 PolarHBondContact O-N 3.49Å; Q60-F62 VanDerWaalsContact C-N 3.28Å; Q60-F62 PolarHBondContact O-N 3.47Å; Q60-W63 PolarHBondContact O-N 2.9Å; Q60-W63 VanDerWaalsContact O-N 3.12Å; Q60-D64 PolarHBondContact NE2-OD1 3.28Å; Q60-D64 VanDerWaalsContact O-CG 3.24Å; Q60-D64 PolarHBondContact O-N 3.44Å
61	S	97.2	Very high	95.5	Very high	71 Å²	71	104.4 Å²	104.4	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-35.9	176.8	69.3	0	0	0	0	113.1	K57 E58 M59 R65	K57-S61 PolarHBondContact O-N 3.24Å; K57-S61 PolarHBondContact O-OG 3.38Å; E58-S61 PolarHBondContact O-N 3.48Å; E58-S61 PolarHBondContact O-OG 3.01Å; M59-S61 PolarHBondContact O-N 3.32Å; S61-R65 VanDerWaalsContact O-CB 3.27Å; S61-R65 WeakPolarHBondContact O-CB 3.21Å; S61-R65 PolarHBondContact O-N 3.27Å
62	F	97.1	Very high	95.8	Very high	95 Å²	95	105.9 Å²	105.9	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-45.6	173.6	171.1	-88.3	0	0	0	111.6	E58 M59 Q60 N66	E58-F62 PolarHBondContact O-N 3.34Å; M59-F62 WeakPolarHBondContact O-CB 3.33Å; M59-F62 PolarHBondContact O-N 3.09Å; Q60-F62 VanDerWaalsContact C-N 3.28Å; Q60-F62 PolarHBondContact O-N 3.47Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.43Å; F62-N66 VanDerWaalsContact CE2-ND2 3.26Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.16Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.09Å; F62-N66 PolarHBondContact O-N 3.27Å; F62-N66 VanDerWaalsContact O-N 3.08Å; F62-N66 PolarHBondContact O-ND2 3.27Å
63	W	95.9	Very high	96	Very high	139 Å²	139	109.1 Å²	109.1	53%	0.527	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-47.1	178.2	-70.5	116.2	0	0	0	111.9	M59 Q60 R65 N66 A67 W73	M59-W63 PolarHBondContact O-N 3.08Å; Q60-W63 PolarHBondContact O-N 2.9Å; Q60-W63 VanDerWaalsContact O-N 3.12Å; W63-R65 VanDerWaalsContact C-N 3.32Å; W63-R65 PolarHBondContact O-N 3.47Å; W63-N66 PolarHBondContact O-N 3.05Å; W63-A67 WeakPolarHBondContact O-CB 3.4Å; W63-A67 PolarHBondContact O-N 2.91Å; W63-W73 HydrophobicContact CH2-CH2 4.46Å; W63-W73 AromaticContact CZ3-CH2 3.91Å; W63-W73 HydrophobicContact CZ3-CH2 3.91Å; W63-W73 HydrophobicContact CZ3-CZ2 4.46Å
64	D	96.7	Very high	96.1	Very high	85 Å²	85	107.2 Å²	107.2	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-42.4	180	-65.2	-18.5	0	0	0	111.3	Q60 T68	Q60-D64 PolarHBondContact NE2-OD1 3.28Å; Q60-D64 VanDerWaalsContact O-CG 3.24Å; Q60-D64 PolarHBondContact O-N 3.44Å; D64-T68 WeakPolarHBondContact O-CB 3.14Å; D64-T68 PolarHBondContact O-N 3.04Å; D64-T68 PolarHBondContact O-OG1 3.44Å
65	R	96.8	Very high	96.2	Very high	136 Å²	136	106.4 Å²	106.4	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-51.9	175.2	-176.7	176	65.1	169.4	-1.2	111.5	S61 W63 A67 T68 E69	S61-R65 VanDerWaalsContact O-CB 3.27Å; S61-R65 WeakPolarHBondContact O-CB 3.21Å; S61-R65 PolarHBondContact O-N 3.27Å; W63-R65 VanDerWaalsContact C-N 3.32Å; W63-R65 PolarHBondContact O-N 3.47Å; R65-A67 VanDerWaalsContact C-N 3.32Å; R65-A67 PolarHBondContact O-N 3.22Å; R65-T68 PolarHBondContact O-N 2.95Å; R65-E69 HydrophobicContact CG-CG 4.13Å; R65-E69 WeakPolarHBondContact O-CB 3.46Å; R65-E69 WeakPolarHBondContact O-CG 3.2Å; R65-E69 PolarHBondContact O-N 2.92Å
66	N	96.5	Very high	96.2	Very high	37 Å²	37	110.5 Å²	110.5	20%	0.198	55%	0.546	C	S	.	.	H	α-helix	trans	-66.6	-33.5	-177.9	-74.9	-72.2	0	0	0	112.8	F62 W63 K70	F62-N66 WeakPolarHBondContact CE1-ND2 3.43Å; F62-N66 VanDerWaalsContact CE2-ND2 3.26Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.16Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.09Å; F62-N66 PolarHBondContact O-N 3.27Å; F62-N66 VanDerWaalsContact O-N 3.08Å; F62-N66 PolarHBondContact O-ND2 3.27Å; W63-N66 PolarHBondContact O-N 3.05Å; N66-K70 PolarHBondContact O-N 3.47Å
67	A	95	Very high	96	Very high	73 Å²	73	113.3 Å²	113.3	60%	0.603	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-40.4	173.9	0	0	0	0	0	112	W63 R65	W63-A67 WeakPolarHBondContact O-CB 3.4Å; W63-A67 PolarHBondContact O-N 2.91Å; R65-A67 VanDerWaalsContact C-N 3.32Å; R65-A67 PolarHBondContact O-N 3.22Å
68	T	97.2	Very high	95.9	Very high	110 Å²	110	115 Å²	115	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-67.4	-42.9	177.2	-57.1	0	0	0	0	111.7	D64 R65 K70	D64-T68 WeakPolarHBondContact O-CB 3.14Å; D64-T68 PolarHBondContact O-N 3.04Å; D64-T68 PolarHBondContact O-OG1 3.44Å; R65-T68 PolarHBondContact O-N 2.95Å; T68-K70 VanDerWaalsContact C-N 3.32Å; T68-K70 PolarHBondContact O-N 3.23Å
69	E	96.5	Very high	95.9	Very high	107 Å²	107	114.7 Å²	114.7	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-77.3	-13.6	-175	-64.3	-88.7	139.2	0	0	113.8	R65 R71	R65-E69 HydrophobicContact CG-CG 4.13Å; R65-E69 WeakPolarHBondContact O-CB 3.46Å; R65-E69 WeakPolarHBondContact O-CG 3.2Å; R65-E69 PolarHBondContact O-N 2.92Å; E69-R71 HydrophobicContact CB-CG 3.9Å; E69-R71 PolarHBondContact O-N 3.47Å; E69-R71 VanDerWaalsContact O-N 3.14Å; E69-R71 IonicContact OE2-CZ 3.57Å; E69-R71 IonicContact OE2-NE 3.46Å; E69-R71 PolarHBondContact OE2-NE 2.91Å; E69-R71 IonicContact OE2-NH2 2.85Å; E69-R71 PolarHBondContact OE2-NH2 3.49Å
70	K	94.6	Very high	95.8	Very high	185 Å²	185	116.7 Å²	116.7	80%	0.804	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.3	38	179.3	-57.9	-178.7	-176.5	174.6	0	114.1	N66 T68	N66-K70 PolarHBondContact O-N 3.47Å; T68-K70 VanDerWaalsContact C-N 3.32Å; T68-K70 PolarHBondContact O-N 3.23Å
71	R	95.3	Very high	95.7	Very high	118 Å²	118	116.8 Å²	116.8	45%	0.445	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-66	139.8	179.8	-64.6	172.8	-173.8	178.3	-1.9	110.1	E69	E69-R71 HydrophobicContact CB-CG 3.9Å; E69-R71 PolarHBondContact O-N 3.47Å; E69-R71 VanDerWaalsContact O-N 3.14Å; E69-R71 IonicContact OE2-CZ 3.57Å; E69-R71 IonicContact OE2-NE 3.46Å; E69-R71 PolarHBondContact OE2-NE 2.91Å; E69-R71 IonicContact OE2-NH2 2.85Å; E69-R71 PolarHBondContact OE2-NH2 3.49Å
72	P	95.3	Very high	95.5	Very high	126 Å²	126	115 Å²	115	82%	0.818	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-66.4	145.3	176.7	28.5	-34.3	0	0	0	110.8
73	W	94.2	Very high	95.3	Very high	206 Å²	206	112.9 Å²	112.9	78%	0.78	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-75.4	139.9	170.8	-68.9	96.7	0	0	0	110.2	W63	W63-W73 HydrophobicContact CH2-CH2 4.46Å; W63-W73 AromaticContact CZ3-CH2 3.91Å; W63-W73 HydrophobicContact CZ3-CH2 3.91Å; W63-W73 HydrophobicContact CZ3-CZ2 4.46Å
74	S	96.4	Very high	95.2	Very high	91 Å²	91	108.9 Å²	108.9	64%	0.636	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-64.7	141.3	171.9	52.3	0	0	0	0	110.5	H76	S74-H76 PolarHBondContact O-N 3.27Å; S74-H76 PolarHBondContact O-ND1 2.9Å
75	P	96.3	Very high	95.1	Very high	81 Å²	81	106.5 Å²	106.5	53%	0.526	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-62.9	134.7	173	28.1	-33.9	0	0	0	108.8	V79	P75-V79 HydrophobicContact CB-CG1 3.91Å; P75-V79 HydrophobicContact CB-CG2 4.09Å; P75-V79 HydrophobicContact CG-CG1 4.11Å; P75-V79 HydrophobicContact CG-CG2 4.28Å; P75-V79 WeakPolarHBondContact O-CG2 3.43Å
76	H	94.6	Very high	95.1	Very high	124 Å²	124	103.2 Å²	103.2	57%	0.574	54%	0.544	S	S	*	.			trans	-127.6	-72.5	-174.8	55.1	-71.2	0	0	0	110.9	S74 Q78 V79 Y80	S74-H76 PolarHBondContact O-N 3.27Å; S74-H76 PolarHBondContact O-ND1 2.9Å; H76-Q78 VanDerWaalsContact C-N 3.29Å; H76-Q78 PolarHBondContact O-N 2.86Å; H76-V79 PolarHBondContact O-N 3.29Å; H76-Y80 WeakPolarHBondContact O-CB 3.43Å; H76-Y80 PolarHBondContact O-N 3.24Å
77	L	93.6	Very high	95.1	Very high	131 Å²	131	107.9 Å²	107.9	69%	0.686	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-30.3	-177.3	-72	173.7	0	0	0	113.9
78	Q	94.1	Very high	95.1	Very high	181 Å²	181	104.8 Å²	104.8	85%	0.846	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.5	-176.8	-67.1	171.8	-50.4	0	0	113.1	H76	H76-Q78 VanDerWaalsContact C-N 3.29Å; H76-Q78 PolarHBondContact O-N 2.86Å
79	V	96.5	Very high	95.1	Very high	103 Å²	103	101.3 Å²	101.3	62%	0.624	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-15.7	-176.3	-63.1	0	0	0	0	112.7	P75 H76	P75-V79 HydrophobicContact CB-CG1 3.91Å; P75-V79 HydrophobicContact CB-CG2 4.09Å; P75-V79 HydrophobicContact CG-CG1 4.11Å; P75-V79 HydrophobicContact CG-CG2 4.28Å; P75-V79 WeakPolarHBondContact O-CG2 3.43Å; H76-V79 PolarHBondContact O-N 3.29Å
80	Y	95.4	Very high	95.1	Very high	146 Å²	146	102.4 Å²	102.4	57%	0.573	52%	0.515	S	S	*	.	S	Bend	trans	-78.6	124.8	-177.2	-169.2	-100.3	0	0	0	111.8	H76 S82 P83 M86	H76-Y80 WeakPolarHBondContact O-CB 3.43Å; H76-Y80 PolarHBondContact O-N 3.24Å; Y80-S82 PolarHBondContact O-N 3.41Å; Y80-S82 VanDerWaalsContact O-N 3.15Å; Y80-P83 HydrophobicContact CE1-CG 4.35Å; Y80-M86 HydrophobicContact CD1-SD 4.39Å; Y80-M86 HydrophobicContact CE1-SD 4.38Å
81	S	95.1	Very high	95.2	Very high	108 Å²	108	96.6 Å²	96.6	76%	0.755	49%	0.493	S	S	*	.			trans	-70.4	109.4	174	-176.4	0	0	0	0	110.3	P83	S81-P83 WeakPolarHBondContact O-CD 3.48Å
82	S	91.7	Very high	95.4	Very high	32 Å²	32	92.6 Å²	92.6	22%	0.224	48%	0.479	C	S	.	.			trans	-64.2	108.3	-175.2	168.6	0	0	0	0	112.6	Y80 M86 R87	Y80-S82 PolarHBondContact O-N 3.41Å; Y80-S82 VanDerWaalsContact O-N 3.15Å; S82-M86 WeakPolarHBondContact OG-CE 3.28Å; S82-R87 PolarHBondContact O-NH2 3.23Å; S82-R87 WeakPolarHBondContact OG-CG 3.46Å; S82-R87 PolarHBondContact OG-NE 3.22Å; S82-R87 VanDerWaalsContact OG-NE 3.09Å
83	P	93.9	Very high	95.5	Very high	51 Å²	51	93.4 Å²	93.4	33%	0.331	47%	0.466	S	S	.	.			trans	-69.1	155.3	170.9	31.5	-34.9	0	0	0	110.2	Y80 S81 V85 M86 R87	Y80-P83 HydrophobicContact CE1-CG 4.35Å; S81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-V85 VanDerWaalsContact C-N 3.26Å; P83-V85 PolarHBondContact O-N 3.4Å; P83-M86 HydrophobicContact CG-CB 3.88Å; P83-M86 WeakPolarHBondContact O-CB 3.31Å; P83-M86 PolarHBondContact O-N 2.99Å; P83-M86 VanDerWaalsContact O-N 3.08Å; P83-R87 PolarHBondContact O-N 2.91Å
84	L	94.7	Very high	95.7	Very high	56 Å²	56	85.3 Å²	85.3	29%	0.293	44%	0.443	S	S	.	.	H	α-helix	trans	-57.1	-39.9	-179.2	-68.5	175	0	0	0	112.5	M86 R87 F88 F174	L84-M86 VanDerWaalsContact C-N 3.25Å; L84-M86 PolarHBondContact O-N 3.15Å; L84-R87 WeakPolarHBondContact O-CB 3.42Å; L84-R87 PolarHBondContact O-N 3.49Å; L84-F88 HydrophobicContact CB-CE2 3.97Å; L84-F88 VanDerWaalsContact O-CD2 3.23Å; L84-F88 WeakPolarHBondContact O-CD2 3.36Å; L84-F88 WeakPolarHBondContact O-CG 3.39Å; L84-F88 PolarHBondContact O-N 2.89Å; L84-F174 HydrophobicContact CD1-CE2 3.51Å; L84-F174 HydrophobicContact CD1-CZ 3.67Å; L84-F174 HydrophobicContact CD2-CZ 4.39Å
85	V	94.6	Very high	95.8	Very high	34 Å²	34	81.7 Å²	81.7	21%	0.206	42%	0.417	C	S	.	.	H	α-helix	trans	-55	-41.3	177.1	-172.8	0	0	0	0	111.9	P83 F88 S89 W158 I166 C169 N170	P83-V85 VanDerWaalsContact C-N 3.26Å; P83-V85 PolarHBondContact O-N 3.4Å; V85-F88 PolarHBondContact O-N 3.43Å; V85-S89 PolarHBondContact O-N 3.28Å; V85-W158 HydrophobicContact CG1-CH2 4.1Å; V85-I166 HydrophobicContact CG2-CD1 3.99Å; V85-C169 VanDerWaalsContact CG1-SG 3.51Å; V85-C169 HydrophobicContact CG2-CB 4.39Å; V85-C169 WeakPolarHBondContact CG2-SG 3.41Å; V85-N170 WeakPolarHBondContact CG2-OD1 3.49Å
86	M	95.2	Very high	95.9	Very high	67 Å²	67	78.8 Å²	78.8	33%	0.33	40%	0.402	S	S	.	.	H	α-helix	trans	-66.5	-39.9	177.2	-174	-178.4	78.7	0	0	111.3	Y80 S82 P83 L84 S89 F90	Y80-M86 HydrophobicContact CD1-SD 4.39Å; Y80-M86 HydrophobicContact CE1-SD 4.38Å; S82-M86 WeakPolarHBondContact OG-CE 3.28Å; P83-M86 HydrophobicContact CG-CB 3.88Å; P83-M86 WeakPolarHBondContact O-CB 3.31Å; P83-M86 PolarHBondContact O-N 2.99Å; P83-M86 VanDerWaalsContact O-N 3.08Å; L84-M86 VanDerWaalsContact C-N 3.25Å; L84-M86 PolarHBondContact O-N 3.15Å; M86-S89 PolarHBondContact O-N 3.26Å; M86-F90 PolarHBondContact O-N 3.46Å
87	R	96.2	Very high	96.1	Very high	136 Å²	136	78 Å²	78	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-43.9	177.3	-57.6	-175.4	-166.7	179.7	6.6	111.3	S82 P83 L84 S89 F90 L91	S82-R87 PolarHBondContact O-NH2 3.23Å; S82-R87 WeakPolarHBondContact OG-CG 3.46Å; S82-R87 PolarHBondContact OG-NE 3.22Å; S82-R87 VanDerWaalsContact OG-NE 3.09Å; P83-R87 PolarHBondContact O-N 2.91Å; L84-R87 WeakPolarHBondContact O-CB 3.42Å; L84-R87 PolarHBondContact O-N 3.49Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 2.98Å; R87-F90 PolarHBondContact O-N 3.45Å; R87-L91 WeakPolarHBondContact O-CG 3.23Å; R87-L91 PolarHBondContact O-N 3.02Å
88	F	96.3	Very high	96.3	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.035	39%	0.385	C	S	.	.	H	α-helix	trans	-63	-37.2	175.4	-60.4	-46.4	0	0	0	112.5	L84 V85 L91 H92 Y147 N151 G173 F174 L177	L84-F88 HydrophobicContact CB-CE2 3.97Å; L84-F88 VanDerWaalsContact O-CD2 3.23Å; L84-F88 WeakPolarHBondContact O-CD2 3.36Å; L84-F88 WeakPolarHBondContact O-CG 3.39Å; L84-F88 PolarHBondContact O-N 2.89Å; V85-F88 PolarHBondContact O-N 3.43Å; F88-L91 PolarHBondContact O-N 3.3Å; F88-H92 PolarHBondContact O-N 3.12Å; F88-Y147 PolarHBondContact O-OH 3.27Å; F88-N151 PolarHBondContact O-ND2 3.06Å; F88-G173 VanDerWaalsContact CZ-C 3.49Å; F88-F174 HydrophobicContact CZ-CD1 4.31Å; F88-F174 HydrophobicContact CZ-CE1 4.5Å; F88-F174 HydrophobicContact CZ-CG 4.36Å; F88-L177 HydrophobicContact CE1-CB 4.3Å; F88-L177 HydrophobicContact CE1-CD2 4.22Å
89	S	96.4	Very high	96.4	Very high	37 Å²	37	66.5 Å²	66.5	26%	0.259	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-39.6	173.6	171.8	0	0	0	0	112.7	V85 M86 R87 R93	V85-S89 PolarHBondContact O-N 3.28Å; M86-S89 PolarHBondContact O-N 3.26Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 2.98Å; S89-R93 PolarHBondContact O-N 2.95Å; S89-R93 PolarHBondContact O-NE 2.68Å
90	F	97.1	Very high	96.5	Very high	129 Å²	129	64.2 Å²	64.2	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-62	-48.6	173.7	173.6	-99.1	0	0	0	110.9	M86 R87 H92 R93 A94	M86-F90 PolarHBondContact O-N 3.46Å; R87-F90 PolarHBondContact O-N 3.45Å; F90-H92 VanDerWaalsContact C-N 3.34Å; F90-H92 PolarHBondContact O-N 3.37Å; F90-R93 PolarHBondContact O-N 3.34Å; F90-A94 HydrophobicContact CE1-CB 4.44Å; F90-A94 WeakPolarHBondContact O-CB 3.4Å; F90-A94 PolarHBondContact O-N 2.88Å
91	L	97.3	Very high	96.6	Very high	64 Å²	64	62.6 Å²	62.6	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-41.2	178.3	-71.3	176.3	0	0	0	112.2	R87 F88 R93 A94 T95 Y147	R87-L91 WeakPolarHBondContact O-CG 3.23Å; R87-L91 PolarHBondContact O-N 3.02Å; F88-L91 PolarHBondContact O-N 3.3Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.07Å; L91-A94 PolarHBondContact O-N 3.19Å; L91-T95 WeakPolarHBondContact O-CG2 3.49Å; L91-T95 PolarHBondContact O-N 2.63Å; L91-T95 PolarHBondContact O-OG1 3.19Å; L91-Y147 HydrophobicContact CB-CE1 3.6Å; L91-Y147 WeakPolarHBondContact CB-OH 3.36Å
92	H	98.2	Very high	96.7	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.153	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-42.8	177.3	-171.3	59.7	0	0	0	112.3	F88 F90 T95 G96 H148 H155	F88-H92 PolarHBondContact O-N 3.12Å; F90-H92 VanDerWaalsContact C-N 3.34Å; F90-H92 PolarHBondContact O-N 3.37Å; H92-T95 PolarHBondContact O-OG1 3.04Å; H92-G96 PolarHBondContact O-N 3.46Å; H92-G96 VanDerWaalsContact O-N 3.11Å; H92-H148 AromaticContact CE1-CD2 3.85Å; H92-H148 AromaticContact CE1-CE1 3.32Å; H92-H148 PolarHBondContact CE1-CE1 3.07Å; H92-H148 AromaticContact CE1-CG 3.83Å; H92-H148 AromaticContact CE1-ND1 3.51Å; H92-H148 AromaticContact CE1-NE2 3.55Å; H92-H148 PolarHBondContact CE1-O 3.45Å; H92-H148 AromaticContact ND1-CE1 3.7Å; H92-H148 AromaticContact ND1-CG 3.93Å; H92-H148 AromaticContact ND1-ND1 3.46Å; H92-H148 PolarHBondContact ND1-ND1 2.94Å; H92-H148 AromaticContact NE2-CE1 3.65Å; H92-H148 AromaticContact NE2-NE2 3.97Å; H92-H148 PolarHBondContact O-CE1 3.26Å; H92-H148 PolarHBondContact O-ND1 3.42Å; H92-H155 AromaticContact CD2-CD2 3.7Å; H92-H155 AromaticContact CD2-NE2 3.75Å; H92-H155 AromaticContact CG-CD2 4Å; H92-H155 AromaticContact CG-NE2 3.96Å; H92-H155 AromaticContact NE2-CD2 3.87Å
93	R	98.3	Very high	96.9	Very high	143 Å²	143	65.7 Å²	65.7	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-45	175.5	-73.3	-179.3	-77.4	173.1	-5.2	111.6	S89 F90 L91 T95 G96 I97	S89-R93 PolarHBondContact O-N 2.95Å; S89-R93 PolarHBondContact O-NE 2.68Å; F90-R93 PolarHBondContact O-N 3.34Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.07Å; R93-T95 PolarHBondContact O-N 3.05Å; R93-G96 PolarHBondContact O-N 3.21Å; R93-I97 VanDerWaalsContact O-CG1 3.31Å; R93-I97 WeakPolarHBondContact O-CG1 3.48Å; R93-I97 PolarHBondContact O-N 2.94Å
94	A	98.2	Very high	97.1	Very high	37 Å²	37	66.6 Å²	66.6	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-45.8	179.8	0	0	0	0	0	111.8	F90 L91 I97 A98	F90-A94 HydrophobicContact CE1-CB 4.44Å; F90-A94 WeakPolarHBondContact O-CB 3.4Å; F90-A94 PolarHBondContact O-N 2.88Å; L91-A94 PolarHBondContact O-N 3.19Å; A94-I97 PolarHBondContact O-N 3.29Å; A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.34Å; A94-A98 PolarHBondContact O-N 2.88Å
95	T	98.2	Very high	97.2	Very high	14 Å²	14	67.1 Å²	67.1	9%	0.086	36%	0.356	C	S	.	.	H	α-helix	trans	-67	-38.1	176.8	57.5	0	0	0	0	112.3	L91 H92 R93 A98 M99 P144 Y147 H148	L91-T95 WeakPolarHBondContact O-CG2 3.49Å; L91-T95 PolarHBondContact O-N 2.63Å; L91-T95 PolarHBondContact O-OG1 3.19Å; H92-T95 PolarHBondContact O-OG1 3.04Å; R93-T95 PolarHBondContact O-N 3.05Å; T95-A98 PolarHBondContact O-N 3.49Å; T95-M99 WeakPolarHBondContact O-CB 3.31Å; T95-M99 VanDerWaalsContact O-CG 3.31Å; T95-M99 WeakPolarHBondContact O-CG 3.36Å; T95-M99 PolarHBondContact O-N 2.96Å; T95-P144 HydrophobicContact CG2-CB 4.07Å; T95-Y147 HydrophobicContact CG2-CD1 3.8Å; T95-Y147 HydrophobicContact CG2-CE1 4.47Å; T95-H148 WeakPolarHBondContact OG1-CB 3.31Å; T95-H148 PolarHBondContact OG1-ND1 3.43Å
96	G	98.2	Very high	97.2	Very high	20 Å²	20	69.3 Å²	69.3	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-47.1	175.1	0	0	0	0	0	112.7	H92 R93 M99 A100 H148	H92-G96 PolarHBondContact O-N 3.46Å; H92-G96 VanDerWaalsContact O-N 3.11Å; R93-G96 PolarHBondContact O-N 3.21Å; G96-M99 PolarHBondContact O-N 3.37Å; G96-A100 WeakPolarHBondContact O-CB 3.24Å; G96-A100 PolarHBondContact O-N 2.99Å; G96-H148 PolarHBondContact N-ND1 2.87Å
97	I	98.4	Very high	97.2	Very high	107 Å²	107	68.1 Å²	68.1	55%	0.549	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.9	-66.9	166.2	0	0	0	110.7	R93 A94 M99 A100 I101	R93-I97 VanDerWaalsContact O-CG1 3.31Å; R93-I97 WeakPolarHBondContact O-CG1 3.48Å; R93-I97 PolarHBondContact O-N 2.94Å; A94-I97 PolarHBondContact O-N 3.29Å; I97-M99 PolarHBondContact O-N 3.42Å; I97-A100 PolarHBondContact O-N 3.4Å; I97-I101 HydrophobicContact CG2-CD1 3.77Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 WeakPolarHBondContact O-CG1 3.46Å; I97-I101 PolarHBondContact O-N 2.93Å
98	A	97.6	Very high	97.3	Very high	43 Å²	43	66.6 Å²	66.6	36%	0.355	38%	0.375	S	S	.	.	H	α-helix	trans	-58.8	-46.9	178.8	0	0	0	0	0	111.5	A94 T95 I101 V102	A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.34Å; A94-A98 PolarHBondContact O-N 2.88Å; T95-A98 PolarHBondContact O-N 3.49Å; A98-I101 PolarHBondContact O-N 3.27Å; A98-V102 WeakPolarHBondContact O-CB 3.44Å; A98-V102 VanDerWaalsContact O-CG2 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.08Å; A98-V102 PolarHBondContact O-N 3.11Å
99	M	97.7	Very high	97.2	Very high	28 Å²	28	68 Å²	68	14%	0.138	39%	0.392	C	S	.	.	H	α-helix	trans	-63.3	-42.8	175.6	-73.8	-168.3	-60.2	0	0	112.4	T95 G96 I97 I101 V102 W103 P144 L145 H148	T95-M99 WeakPolarHBondContact O-CB 3.31Å; T95-M99 VanDerWaalsContact O-CG 3.31Å; T95-M99 WeakPolarHBondContact O-CG 3.36Å; T95-M99 PolarHBondContact O-N 2.96Å; G96-M99 PolarHBondContact O-N 3.37Å; I97-M99 PolarHBondContact O-N 3.42Å; M99-I101 VanDerWaalsContact C-N 3.32Å; M99-I101 PolarHBondContact O-N 3.46Å; M99-V102 PolarHBondContact O-N 3.15Å; M99-W103 WeakPolarHBondContact O-CB 3.49Å; M99-W103 PolarHBondContact O-N 3.38Å; M99-P144 HydrophobicContact CG-CB 3.96Å; M99-P144 HydrophobicContact SD-CB 4.39Å; M99-L145 WeakPolarHBondContact SD-CA 2.98Å; M99-L145 HydrophobicContact SD-CB 3.92Å; M99-L145 HydrophobicContact SD-CD1 3.94Å; M99-H148 HydrophobicContact CE-CB 3.46Å; M99-H148 VanDerWaalsContact CE-CB 3.46Å; M99-H148 VanDerWaalsContact CE-CG 3.47Å
100	A	98	Very high	97.1	Very high	56 Å²	56	69.4 Å²	69.4	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-44.3	178.1	0	0	0	0	0	111.3	G96 I97 S104	G96-A100 WeakPolarHBondContact O-CB 3.24Å; G96-A100 PolarHBondContact O-N 2.99Å; I97-A100 PolarHBondContact O-N 3.4Å; A100-S104 WeakPolarHBondContact O-CB 3.28Å; A100-S104 PolarHBondContact O-N 3.35Å; A100-S104 PolarHBondContact O-OG 3.02Å
101	I	98.1	Very high	96.9	Very high	111 Å²	111	71.1 Å²	71.1	57%	0.569	41%	0.414	S	S	*	.	H	α-helix	trans	-64.8	-51.8	177	-66.3	168.9	0	0	0	110.5	I97 A98 M99 S105	I97-I101 HydrophobicContact CG2-CD1 3.77Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 WeakPolarHBondContact O-CG1 3.46Å; I97-I101 PolarHBondContact O-N 2.93Å; A98-I101 PolarHBondContact O-N 3.27Å; M99-I101 VanDerWaalsContact C-N 3.32Å; M99-I101 PolarHBondContact O-N 3.46Å; I101-S105 VanDerWaalsContact O-CB 3.24Å; I101-S105 WeakPolarHBondContact O-CB 3.36Å; I101-S105 PolarHBondContact O-N 3.23Å; I101-S105 PolarHBondContact O-OG 3.13Å
102	V	97	Very high	96.8	Very high	60 Å²	60	75.4 Å²	75.4	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-54.5	-176.6	170.6	0	0	0	0	110.8	A98 M99 S104 S105 V106	A98-V102 WeakPolarHBondContact O-CB 3.44Å; A98-V102 VanDerWaalsContact O-CG2 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.08Å; A98-V102 PolarHBondContact O-N 3.11Å; M99-V102 PolarHBondContact O-N 3.15Å; V102-S104 PolarHBondContact O-N 3.32Å; V102-S105 PolarHBondContact O-N 3.01Å; V102-S105 PolarHBondContact O-OG 3.04Å; V102-V106 WeakPolarHBondContact O-CG2 3.24Å; V102-V106 PolarHBondContact O-N 3.41Å
103	W	95.9	Very high	96.6	Very high	146 Å²	146	78.2 Å²	78.2	55%	0.553	44%	0.442	S	S	*	.	H	α-helix	trans	-70.7	-33.7	-175.8	-64.8	118	0	0	0	113.1	M99 V106 G107	M99-W103 WeakPolarHBondContact O-CB 3.49Å; M99-W103 PolarHBondContact O-N 3.38Å; W103-V106 PolarHBondContact O-N 2.91Å; W103-G107 PolarHBondContact O-N 3.34Å
104	S	97.3	Very high	96.3	Very high	69 Å²	69	78.5 Å²	78.5	48%	0.483	46%	0.459	S	S	.	.	H	α-helix	trans	-65.8	-40.7	171.6	-56	0	0	0	0	111.1	A100 V102 G107 I108	A100-S104 WeakPolarHBondContact O-CB 3.28Å; A100-S104 PolarHBondContact O-N 3.35Å; A100-S104 PolarHBondContact O-OG 3.02Å; V102-S104 PolarHBondContact O-N 3.32Å; S104-G107 PolarHBondContact O-N 3.38Å; S104-I108 WeakPolarHBondContact O-CB 3.46Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.42Å; S104-I108 PolarHBondContact O-N 2.87Å
105	S	96.9	Very high	95.9	Very high	68 Å²	68	78.3 Å²	78.3	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-38	177.1	73.1	0	0	0	0	112.5	I101 V102 G109	I101-S105 VanDerWaalsContact O-CB 3.24Å; I101-S105 WeakPolarHBondContact O-CB 3.36Å; I101-S105 PolarHBondContact O-N 3.23Å; I101-S105 PolarHBondContact O-OG 3.13Å; V102-S105 PolarHBondContact O-N 3.01Å; V102-S105 PolarHBondContact O-OG 3.04Å; S105-G109 PolarHBondContact O-N 2.74Å
106	V	94.9	Very high	95.6	Very high	79 Å²	79	84.7 Å²	84.7	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-43.9	173.4	171.8	0	0	0	0	110.4	V102 W103 G109 A110	V102-V106 WeakPolarHBondContact O-CG2 3.24Å; V102-V106 PolarHBondContact O-N 3.41Å; W103-V106 PolarHBondContact O-N 2.91Å; V106-G109 PolarHBondContact O-N 3.21Å; V106-A110 VanDerWaalsContact O-CB 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.37Å; V106-A110 PolarHBondContact O-N 2.99Å
107	G	95.6	Very high	95.3	Very high	43 Å²	43	91.4 Å²	91.4	44%	0.443	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.2	0	0	0	0	0	113.1	W103 S104 A110 F111	W103-G107 PolarHBondContact O-N 3.34Å; S104-G107 PolarHBondContact O-N 3.38Å; G107-A110 PolarHBondContact O-N 3.44Å; G107-F111 PolarHBondContact O-N 3.37Å; G107-F111 VanDerWaalsContact O-N 3.08Å
108	I	96.9	Very high	95.2	Very high	103 Å²	103	91.2 Å²	91.2	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-44	175.5	-66.6	164.7	0	0	0	110.5	S104 A110 F111 F112	S104-I108 WeakPolarHBondContact O-CB 3.46Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.42Å; S104-I108 PolarHBondContact O-N 2.87Å; I108-A110 PolarHBondContact O-N 2.98Å; I108-F111 WeakPolarHBondContact O-CB 3.42Å; I108-F111 PolarHBondContact O-N 3.26Å; I108-F112 HydrophobicContact CG2-CD2 4.05Å; I108-F112 HydrophobicContact CG2-CE2 3.97Å; I108-F112 VanDerWaalsContact O-CD2 3.31Å; I108-F112 WeakPolarHBondContact O-CD2 3.31Å; I108-F112 PolarHBondContact O-N 3.13Å
109	G	95.2	Very high	95	Very high	38 Å²	38	92.1 Å²	92.1	39%	0.392	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-45	177	0	0	0	0	0	112	S105 V106 F111 F112 F113	S105-G109 PolarHBondContact O-N 2.74Å; V106-G109 PolarHBondContact O-N 3.21Å; G109-F111 VanDerWaalsContact C-N 3.27Å; G109-F111 PolarHBondContact O-N 3.14Å; G109-F112 PolarHBondContact O-N 2.74Å; G109-F113 VanDerWaalsContact O-CB 3.23Å; G109-F113 WeakPolarHBondContact O-CB 3.33Å; G109-F113 PolarHBondContact O-N 2.86Å
110	A	93.4	Very high	94.7	Very high	66 Å²	66	94.1 Å²	94.1	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-32	176.3	0	0	0	0	0	112.7	V106 G107 I108	V106-A110 VanDerWaalsContact O-CB 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.37Å; V106-A110 PolarHBondContact O-N 2.99Å; G107-A110 PolarHBondContact O-N 3.44Å; I108-A110 PolarHBondContact O-N 2.98Å
111	F	93.8	Very high	94.5	Very high	165 Å²	165	94 Å²	94	72%	0.724	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-37.4	175.8	-178.7	-94.9	0	0	0	112.9	G107 I108 G109	G107-F111 PolarHBondContact O-N 3.37Å; G107-F111 VanDerWaalsContact O-N 3.08Å; I108-F111 WeakPolarHBondContact O-CB 3.42Å; I108-F111 PolarHBondContact O-N 3.26Å; G109-F111 VanDerWaalsContact C-N 3.27Å; G109-F111 PolarHBondContact O-N 3.14Å
112	F	94.6	Very high	94.4	Very high	154 Å²	154	92.1 Å²	92.1	68%	0.675	51%	0.507	S	S	*	.	H	α-helix	trans	-91.6	-13.3	179.2	-70.3	-71.1	0	0	0	114	I108 G109 T114	I108-F112 HydrophobicContact CG2-CD2 4.05Å; I108-F112 HydrophobicContact CG2-CE2 3.97Å; I108-F112 VanDerWaalsContact O-CD2 3.31Å; I108-F112 WeakPolarHBondContact O-CD2 3.31Å; I108-F112 PolarHBondContact O-N 3.13Å; G109-F112 PolarHBondContact O-N 2.74Å; F112-T114 PolarHBondContact O-N 2.86Å
113	F	93.4	Very high	94.3	Very high	93 Å²	93	97.1 Å²	97.1	41%	0.408	52%	0.52	S	S	.	.			trans	-79.2	120.2	-177.3	-174.6	-110.3	0	0	0	111.3	G109 G115 I120	G109-F113 VanDerWaalsContact O-CB 3.23Å; G109-F113 WeakPolarHBondContact O-CB 3.33Å; G109-F113 PolarHBondContact O-N 2.86Å; F113-G115 VanDerWaalsContact CD1-O 3.31Å; F113-G115 WeakPolarHBondContact CD1-O 3.4Å; F113-G115 VanDerWaalsContact CE1-CA 3.41Å; F113-G115 WeakPolarHBondContact CE1-O 3.16Å; F113-I120 HydrophobicContact CD1-CD1 4.09Å; F113-I120 HydrophobicContact CE1-CD1 3.54Å; F113-I120 HydrophobicContact CE1-CG1 3.89Å; F113-I120 HydrophobicContact CE2-CD1 4.27Å; F113-I120 HydrophobicContact CE2-CG1 4.41Å; F113-I120 HydrophobicContact CZ-CD1 3.66Å; F113-I120 HydrophobicContact CZ-CG1 3.63Å
114	T	92.7	Very high	94.2	Very high	148 Å²	148	93.2 Å²	93.2	91%	0.908	51%	0.513	S	S	*	.			trans	-91.2	-6.1	-178.2	59.2	0	0	0	0	114	F112	F112-T114 PolarHBondContact O-N 2.86Å
115	G	91	Very high	94	Very high	34 Å²	34	97.6 Å²	97.6	35%	0.351	52%	0.519	S	S	.	.	S	Bend	trans	-88.3	175.7	-179.8	0	0	0	0	0	113.6	F113	F113-G115 VanDerWaalsContact CD1-O 3.31Å; F113-G115 WeakPolarHBondContact CD1-O 3.4Å; F113-G115 VanDerWaalsContact CE1-CA 3.41Å; F113-G115 WeakPolarHBondContact CE1-O 3.16Å
116	H	92.1	Very high	94	Very high	147 Å²	147	99.8 Å²	99.8	68%	0.681	53%	0.525	S	S	*	.			trans	-87.5	147.2	172	-66.5	-77.6	0	0	0	111.3	D118 S119	H116-D118 PolarHBondContact O-N 2.95Å; H116-S119 WeakPolarHBondContact O-CB 3.32Å; H116-S119 PolarHBondContact O-N 3.46Å; H116-S119 VanDerWaalsContact O-N 3.07Å; H116-S119 PolarHBondContact O-OG 3.43Å
117	Y	91.8	Very high	94	Very high	162 Å²	162	100.2 Å²	100.2	64%	0.635	52%	0.523	S	S	*	.	H	α-helix	trans	-57.3	-34.1	176.9	-178.1	-109.9	0	0	0	112.7	S119 I120 L121	Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 3.32Å; Y117-I120 WeakPolarHBondContact O-CB 3.44Å; Y117-I120 PolarHBondContact O-N 2.95Å; Y117-L121 HydrophobicContact CD1-CD1 3.85Å; Y117-L121 HydrophobicContact CD1-CG 4.02Å; Y117-L121 HydrophobicContact CE1-CD1 3.56Å; Y117-L121 HydrophobicContact CE1-CD2 3.83Å; Y117-L121 HydrophobicContact CE1-CG 3.67Å; Y117-L121 PolarHBondContact O-N 3.38Å; Y117-L121 VanDerWaalsContact O-N 3.08Å
118	D	94.5	Very high	93.8	Very high	102 Å²	102	106 Å²	106	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-58	-36.4	176.8	-59.9	-55.3	0	0	0	112.6	H116 I120 L121 D122	H116-D118 PolarHBondContact O-N 2.95Å; D118-I120 VanDerWaalsContact C-N 3.29Å; D118-I120 PolarHBondContact O-N 3.1Å; D118-L121 WeakPolarHBondContact O-CB 3.43Å; D118-L121 PolarHBondContact O-N 3.01Å; D118-L121 VanDerWaalsContact O-N 3.16Å; D118-D122 PolarHBondContact O-N 3.23Å
119	S	93.5	Very high	93.6	Very high	63 Å²	63	104.2 Å²	104.2	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-33.8	176.7	70.1	0	0	0	0	112.9	H116 Y117 Y123	H116-S119 WeakPolarHBondContact O-CB 3.32Å; H116-S119 PolarHBondContact O-N 3.46Å; H116-S119 VanDerWaalsContact O-N 3.07Å; H116-S119 PolarHBondContact O-OG 3.43Å; Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 3.32Å; S119-Y123 WeakPolarHBondContact O-CB 3.46Å; S119-Y123 PolarHBondContact O-N 2.88Å
120	I	93.1	Very high	93.5	Very high	70 Å²	70	104.1 Å²	104.1	36%	0.359	53%	0.529	S	S	.	.	H	α-helix	trans	-70.5	-42.5	174.6	-57.9	176.3	0	0	0	109.7	F113 Y117 D118 Y123 V124	F113-I120 HydrophobicContact CD1-CD1 4.09Å; F113-I120 HydrophobicContact CE1-CD1 3.54Å; F113-I120 HydrophobicContact CE1-CG1 3.89Å; F113-I120 HydrophobicContact CE2-CD1 4.27Å; F113-I120 HydrophobicContact CE2-CG1 4.41Å; F113-I120 HydrophobicContact CZ-CD1 3.66Å; F113-I120 HydrophobicContact CZ-CG1 3.63Å; Y117-I120 WeakPolarHBondContact O-CB 3.44Å; Y117-I120 PolarHBondContact O-N 2.95Å; D118-I120 VanDerWaalsContact C-N 3.29Å; D118-I120 PolarHBondContact O-N 3.1Å; I120-Y123 WeakPolarHBondContact O-CB 3.49Å; I120-Y123 PolarHBondContact O-N 2.9Å; I120-V124 WeakPolarHBondContact O-CG2 3.39Å; I120-V124 PolarHBondContact O-N 3.36Å
121	L	93.9	Very high	93.5	Very high	52 Å²	52	106 Å²	106	27%	0.272	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.9	-70	-178.9	0	0	0	111.7	Y117 D118 V124 R125	Y117-L121 HydrophobicContact CD1-CD1 3.85Å; Y117-L121 HydrophobicContact CD1-CG 4.02Å; Y117-L121 HydrophobicContact CE1-CD1 3.56Å; Y117-L121 HydrophobicContact CE1-CD2 3.83Å; Y117-L121 HydrophobicContact CE1-CG 3.67Å; Y117-L121 PolarHBondContact O-N 3.38Å; Y117-L121 VanDerWaalsContact O-N 3.08Å; D118-L121 WeakPolarHBondContact O-CB 3.43Å; D118-L121 PolarHBondContact O-N 3.01Å; D118-L121 VanDerWaalsContact O-N 3.16Å; L121-V124 PolarHBondContact O-N 3.2Å; L121-R125 VanDerWaalsContact O-CG 3.31Å; L121-R125 WeakPolarHBondContact O-CG 3.32Å; L121-R125 PolarHBondContact O-N 3.48Å
122	D	95.1	Very high	93.4	Very high	72 Å²	72	102.4 Å²	102.4	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-66.6	-38.3	178.8	-70.7	-19.2	0	0	0	111.6	D118 V124 R125 N126	D118-D122 PolarHBondContact O-N 3.23Å; D122-V124 VanDerWaalsContact C-N 3.34Å; D122-V124 PolarHBondContact O-N 3.08Å; D122-R125 PolarHBondContact O-N 3.3Å; D122-R125 IonicContact OD1-CZ 3.91Å; D122-R125 IonicContact OD1-NH1 3.98Å; D122-R125 PolarHBondContact OD1-NH1 2.83Å; D122-N126 WeakPolarHBondContact O-CB 3.47Å; D122-N126 PolarHBondContact O-N 2.81Å; D122-N126 PolarHBondContact O-ND2 2.81Å; D122-N126 VanDerWaalsContact O-ND2 3.11Å
123	Y	94.7	Very high	93.4	Very high	165 Å²	165	98.2 Å²	98.2	65%	0.647	52%	0.515	S	S	*	.	H	α-helix	trans	-57.1	-46.8	170.4	179.3	-95.5	0	0	0	111.8	S119 I120 N126 M127	S119-Y123 WeakPolarHBondContact O-CB 3.46Å; S119-Y123 PolarHBondContact O-N 2.88Å; I120-Y123 WeakPolarHBondContact O-CB 3.49Å; I120-Y123 PolarHBondContact O-N 2.9Å; Y123-N126 PolarHBondContact O-N 2.97Å; Y123-M127 HydrophobicContact CE1-CE 4.49Å; Y123-M127 HydrophobicContact CE1-CG 4.5Å; Y123-M127 HydrophobicContact CE1-SD 4.18Å; Y123-M127 PolarHBondContact O-N 2.93Å
124	V	93.9	Very high	93.5	Very high	64 Å²	64	97.2 Å²	97.2	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-39.2	178	174.6	0	0	0	0	112.1	I120 L121 D122 N126 M127	I120-V124 WeakPolarHBondContact O-CG2 3.39Å; I120-V124 PolarHBondContact O-N 3.36Å; L121-V124 PolarHBondContact O-N 3.2Å; D122-V124 VanDerWaalsContact C-N 3.34Å; D122-V124 PolarHBondContact O-N 3.08Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-M127 HydrophobicContact CB-CE 4.06Å; V124-M127 HydrophobicContact CG1-CE 3.99Å; V124-M127 HydrophobicContact CG2-CE 3.91Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 PolarHBondContact O-N 2.87Å
125	R	93.4	Very high	93.6	Very high	161 Å²	161	91.6 Å²	91.6	61%	0.608	48%	0.482	S	S	*	.	H	α-helix	trans	-61.8	-42.6	174.7	-73.3	169	177.9	153.2	-2.8	111.5	L121 D122 M127 H128	L121-R125 VanDerWaalsContact O-CG 3.31Å; L121-R125 WeakPolarHBondContact O-CG 3.32Å; L121-R125 PolarHBondContact O-N 3.48Å; D122-R125 PolarHBondContact O-N 3.3Å; D122-R125 IonicContact OD1-CZ 3.91Å; D122-R125 IonicContact OD1-NH1 3.98Å; D122-R125 PolarHBondContact OD1-NH1 2.83Å; R125-M127 PolarHBondContact O-N 2.94Å; R125-H128 PolarHBondContact O-N 3.49Å; R125-H128 VanDerWaalsContact O-N 3.08Å
126	N	95.9	Very high	93.8	Very high	115 Å²	115	92.3 Å²	92.3	62%	0.615	49%	0.485	S	S	*	.	H	α-helix	trans	-69.7	-11.4	179.6	-69.7	-27.1	0	0	0	113.8	D122 Y123 V124 H128	D122-N126 WeakPolarHBondContact O-CB 3.47Å; D122-N126 PolarHBondContact O-N 2.81Å; D122-N126 PolarHBondContact O-ND2 2.81Å; D122-N126 VanDerWaalsContact O-ND2 3.11Å; Y123-N126 PolarHBondContact O-N 2.97Å; V124-N126 VanDerWaalsContact C-N 3.34Å; N126-H128 PolarHBondContact O-CE1 3.48Å; N126-H128 PolarHBondContact O-N 3.48Å; N126-H128 PolarHBondContact O-ND1 3.4Å
127	M	94.8	Very high	93.9	Very high	88 Å²	88	88.4 Å²	88.4	43%	0.433	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.5	169.4	-67.5	-165.4	-74.6	0	0	113.3	Y123 V124 R125 L129	Y123-M127 HydrophobicContact CE1-CE 4.49Å; Y123-M127 HydrophobicContact CE1-CG 4.5Å; Y123-M127 HydrophobicContact CE1-SD 4.18Å; Y123-M127 PolarHBondContact O-N 2.93Å; V124-M127 HydrophobicContact CB-CE 4.06Å; V124-M127 HydrophobicContact CG1-CE 3.99Å; V124-M127 HydrophobicContact CG2-CE 3.91Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 PolarHBondContact O-N 2.87Å; R125-M127 PolarHBondContact O-N 2.94Å; M127-L129 HydrophobicContact CB-CD2 4.19Å; M127-L129 HydrophobicContact CB-CG 3.94Å; M127-L129 HydrophobicContact CE-CD1 4.02Å; M127-L129 PolarHBondContact O-N 3.45Å; M127-L129 VanDerWaalsContact O-N 3.15Å
128	H	92.7	Very high	94.1	Very high	163 Å²	163	84.3 Å²	84.3	76%	0.755	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.7	177.8	-60.4	90.7	0	0	0	113.4	R125 N126 G130	R125-H128 PolarHBondContact O-N 3.49Å; R125-H128 VanDerWaalsContact O-N 3.08Å; N126-H128 PolarHBondContact O-CE1 3.48Å; N126-H128 PolarHBondContact O-N 3.48Å; N126-H128 PolarHBondContact O-ND1 3.4Å; H128-G130 PolarHBondContact O-N 2.92Å
129	L	93.1	Very high	94.3	Very high	66 Å²	66	82.3 Å²	82.3	35%	0.346	45%	0.445	S	S	.	.			trans	-64.5	133.6	-179.4	-61.4	177.6	0	0	0	110.4	M127 V133 I134	M127-L129 HydrophobicContact CB-CD2 4.19Å; M127-L129 HydrophobicContact CB-CG 3.94Å; M127-L129 HydrophobicContact CE-CD1 4.02Å; M127-L129 PolarHBondContact O-N 3.45Å; M127-L129 VanDerWaalsContact O-N 3.15Å; L129-V133 HydrophobicContact CD2-CG1 4.45Å; L129-I134 HydrophobicContact CB-CD1 4.25Å; L129-I134 HydrophobicContact CB-CG1 3.9Å; L129-I134 WeakPolarHBondContact O-CD1 3.29Å
130	G	92.6	Very high	94.4	Very high	37 Å²	37	84.8 Å²	84.8	38%	0.381	45%	0.452	S	S	.	.			trans	-58.8	151.2	175.6	0	0	0	0	0	112.1	H128 S132 V133 I134	H128-G130 PolarHBondContact O-N 2.92Å; G130-S132 PolarHBondContact O-N 3.15Å; G130-V133 WeakPolarHBondContact O-CB 3.36Å; G130-V133 PolarHBondContact O-N 3.23Å; G130-I134 PolarHBondContact O-N 3.36Å
131	T	92.1	Very high	94.5	Very high	106 Å²	106	86.5 Å²	86.5	65%	0.65	46%	0.462	S	S	*	.	H	α-helix	trans	-57.5	-33.9	-178.7	53.5	0	0	0	0	112.9	A135	T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3.34Å
132	S	93	Very high	94.6	Very high	88 Å²	88	85.2 Å²	85.2	62%	0.615	46%	0.457	S	S	*	.	H	α-helix	trans	-65.6	-41	174.9	54.3	0	0	0	0	112.7	G130 A135 A136	G130-S132 PolarHBondContact O-N 3.15Å; S132-A135 PolarHBondContact O-N 3.33Å; S132-A136 WeakPolarHBondContact O-CB 3.28Å; S132-A136 PolarHBondContact O-N 3.44Å
133	V	94.8	Very high	94.7	Very high	66 Å²	66	84 Å²	84	40%	0.4	45%	0.447	S	S	.	.	H	α-helix	trans	-66.3	-45.3	177.9	-179.9	0	0	0	0	110	L129 G130 A135 A136 C137	L129-V133 HydrophobicContact CD2-CG1 4.45Å; G130-V133 WeakPolarHBondContact O-CB 3.36Å; G130-V133 PolarHBondContact O-N 3.23Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.91Å; V133-A136 PolarHBondContact O-N 3.49Å; V133-C137 PolarHBondContact O-N 2.94Å; V133-C137 PolarHBondContact O-SG 3.37Å; V133-C137 VanDerWaalsContact O-SG 3.33Å
134	I	94.1	Very high	94.9	Very high	73 Å²	73	77.4 Å²	77.4	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.6	-63.7	173.2	0	0	0	110.6	L129 G130 A136 C137 K138	L129-I134 HydrophobicContact CB-CD1 4.25Å; L129-I134 HydrophobicContact CB-CG1 3.9Å; L129-I134 WeakPolarHBondContact O-CD1 3.29Å; G130-I134 PolarHBondContact O-N 3.36Å; I134-A136 PolarHBondContact O-N 3.08Å; I134-C137 PolarHBondContact O-N 2.91Å; I134-K138 HydrophobicContact CG2-CD 4.4Å; I134-K138 WeakPolarHBondContact O-CG 3.23Å; I134-K138 PolarHBondContact O-N 3.42Å
135	A	94.9	Very high	95.1	Very high	30 Å²	30	78.7 Å²	78.7	25%	0.248	43%	0.429	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.4	0	0	0	0	0	112.1	T131 S132 V133 K138 F139	T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3.34Å; S132-A135 PolarHBondContact O-N 3.33Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.91Å; A135-K138 PolarHBondContact O-N 2.81Å; A135-F139 WeakPolarHBondContact O-CB 3.44Å; A135-F139 PolarHBondContact O-N 3.12Å
136	A	95.9	Very high	95.3	Very high	49 Å²	49	71.8 Å²	71.8	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-43.6	175.7	0	0	0	0	0	112.1	S132 V133 I134 K138 F139 I140	S132-A136 WeakPolarHBondContact O-CB 3.28Å; S132-A136 PolarHBondContact O-N 3.44Å; V133-A136 PolarHBondContact O-N 3.49Å; I134-A136 PolarHBondContact O-N 3.08Å; A136-K138 PolarHBondContact O-N 2.91Å; A136-F139 WeakPolarHBondContact O-CB 3.48Å; A136-F139 PolarHBondContact O-N 3.42Å; A136-I140 WeakPolarHBondContact O-CG1 3.39Å; A136-I140 PolarHBondContact O-N 3.36Å
137	C	95.1	Very high	95.4	Very high	64 Å²	64	66.4 Å²	66.4	43%	0.432	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-45	174.7	-69.6	0	0	0	0	111.6	V133 I134 F139 I140 L141	V133-C137 PolarHBondContact O-N 2.94Å; V133-C137 PolarHBondContact O-SG 3.37Å; V133-C137 VanDerWaalsContact O-SG 3.33Å; I134-C137 PolarHBondContact O-N 2.91Å; C137-F139 VanDerWaalsContact C-N 3.31Å; C137-F139 PolarHBondContact O-N 3.2Å; C137-I140 PolarHBondContact O-N 3.23Å; C137-L141 WeakPolarHBondContact O-CG 3.46Å; C137-L141 PolarHBondContact O-N 2.94Å; C137-L141 VanDerWaalsContact O-N 3.08Å
138	K	95.8	Very high	95.6	Very high	76 Å²	76	64.8 Å²	64.8	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-44.2	173.9	-74.1	177.9	173.9	-175.2	0	111.4	I134 A135 A136 L141 C142 A188 I190	I134-K138 HydrophobicContact CG2-CD 4.4Å; I134-K138 WeakPolarHBondContact O-CG 3.23Å; I134-K138 PolarHBondContact O-N 3.42Å; A135-K138 PolarHBondContact O-N 2.81Å; A136-K138 PolarHBondContact O-N 2.91Å; K138-L141 PolarHBondContact O-N 3.37Å; K138-C142 WeakPolarHBondContact O-CB 3.4Å; K138-C142 PolarHBondContact O-N 3.43Å; K138-A188 HydrophobicContact CB-CB 4.14Å; K138-I190 PolarHBondContact NZ-O 3.29Å
139	F	97.1	Very high	95.9	Very high	60 Å²	60	64.3 Å²	64.3	26%	0.263	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-45.9	178.3	-176.1	-92.7	0	0	0	112.3	A135 A136 C137 L141 C142 Y143 L181 A185 A188	A135-F139 WeakPolarHBondContact O-CB 3.44Å; A135-F139 PolarHBondContact O-N 3.12Å; A136-F139 WeakPolarHBondContact O-CB 3.48Å; A136-F139 PolarHBondContact O-N 3.42Å; C137-F139 VanDerWaalsContact C-N 3.31Å; C137-F139 PolarHBondContact O-N 3.2Å; F139-L141 VanDerWaalsContact C-N 3.28Å; F139-L141 PolarHBondContact O-N 3.06Å; F139-C142 PolarHBondContact O-N 3.4Å; F139-Y143 HydrophobicContact CE1-CD2 4.4Å; F139-Y143 HydrophobicContact CE1-CG 4.16Å; F139-Y143 AromaticContact CZ-CD2 3.95Å; F139-Y143 HydrophobicContact CZ-CD2 3.95Å; F139-Y143 HydrophobicContact CZ-CG 4.16Å; F139-Y143 WeakPolarHBondContact O-CB 3.43Å; F139-Y143 PolarHBondContact O-N 2.92Å; F139-L181 HydrophobicContact CZ-CD2 4.01Å; F139-A185 HydrophobicContact CD2-CB 4.44Å; F139-A185 HydrophobicContact CE2-CB 4.16Å; F139-A188 HydrophobicContact CB-CB 3.76Å; F139-A188 HydrophobicContact CD2-CB 4.26Å
140	I	96.6	Very high	96.1	Very high	115 Å²	115	63.3 Å²	63.3	59%	0.59	35%	0.354	S	S	*	.	H	α-helix	trans	-62.1	-37.1	179.6	-69.6	166.3	0	0	0	111.4	A136 C137 P144	A136-I140 WeakPolarHBondContact O-CG1 3.39Å; A136-I140 PolarHBondContact O-N 3.36Å; C137-I140 PolarHBondContact O-N 3.23Å; I140-P144 WeakPolarHBondContact O-CD 3.4Å; I140-P144 WeakPolarHBondContact O-CG 3.49Å
141	L	95.2	Very high	96.3	Very high	107 Å²	107	61.6 Å²	61.6	56%	0.56	34%	0.336	S	S	*	.	H	α-helix	trans	-73.1	-39.3	176	-69.2	174	0	0	0	112.4	C137 K138 F139	C137-L141 WeakPolarHBondContact O-CG 3.46Å; C137-L141 PolarHBondContact O-N 2.94Å; C137-L141 VanDerWaalsContact O-N 3.08Å; K138-L141 PolarHBondContact O-N 3.37Å; F139-L141 VanDerWaalsContact C-N 3.28Å; F139-L141 PolarHBondContact O-N 3.06Å
142	C	95.9	Very high	96.6	Very high	24 Å²	24	57.4 Å²	57.4	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-80.1	-38.8	-174.6	-172.4	0	0	0	0	113.2	K138 F139 L145 V146 L187	K138-C142 WeakPolarHBondContact O-CB 3.4Å; K138-C142 PolarHBondContact O-N 3.43Å; F139-C142 PolarHBondContact O-N 3.4Å; C142-L145 WeakPolarHBondContact O-CB 3.2Å; C142-L145 PolarHBondContact O-N 2.92Å; C142-L145 VanDerWaalsContact O-N 3.12Å; C142-V146 PolarHBondContact O-N 2.95Å; C142-L187 WeakPolarHBondContact SG-CD1 3.3Å
143	Y	98	Very high	96.8	Very high	48 Å²	48	57.8 Å²	57.8	19%	0.188	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-47.3	-172.6	176.1	-101.4	0	0	0	114.5	F139 L145 V146 Y147 L177 S180 L181 S184	F139-Y143 HydrophobicContact CE1-CD2 4.4Å; F139-Y143 HydrophobicContact CE1-CG 4.16Å; F139-Y143 AromaticContact CZ-CD2 3.95Å; F139-Y143 HydrophobicContact CZ-CD2 3.95Å; F139-Y143 HydrophobicContact CZ-CG 4.16Å; F139-Y143 WeakPolarHBondContact O-CB 3.43Å; F139-Y143 PolarHBondContact O-N 2.92Å; Y143-L145 PolarHBondContact O-N 2.99Å; Y143-V146 PolarHBondContact O-N 3.44Å; Y143-Y147 WeakPolarHBondContact O-CB 3.5Å; Y143-Y147 PolarHBondContact O-N 2.94Å; Y143-L177 WeakPolarHBondContact OH-CD1 3.43Å; Y143-S180 WeakPolarHBondContact CE2-OG 3.49Å; Y143-L181 HydrophobicContact CD2-CD2 4.02Å; Y143-L181 HydrophobicContact CE2-CD2 3.42Å; Y143-L181 VanDerWaalsContact CE2-CD2 3.42Å; Y143-L181 HydrophobicContact CE2-CG 3.85Å; Y143-S184 WeakPolarHBondContact CA-OG 3.05Å
144	P	97.8	Very high	96.9	Very high	25 Å²	25	55.5 Å²	55.5	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-38.8	176.3	-25.1	35.2	0	0	0	112.6	T95 M99 I140 H148	T95-P144 HydrophobicContact CG2-CB 4.07Å; M99-P144 HydrophobicContact CG-CB 3.96Å; M99-P144 HydrophobicContact SD-CB 4.39Å; I140-P144 WeakPolarHBondContact O-CD 3.4Å; I140-P144 WeakPolarHBondContact O-CG 3.49Å; P144-H148 WeakPolarHBondContact O-CB 3.44Å; P144-H148 PolarHBondContact O-N 3.44Å
145	L	97.5	Very high	97	Very high	92 Å²	92	54.1 Å²	54.1	48%	0.482	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-52.5	179.3	179.3	65.3	0	0	0	111.4	M99 C142 Y143 H148 Y149	M99-L145 WeakPolarHBondContact SD-CA 2.98Å; M99-L145 HydrophobicContact SD-CB 3.92Å; M99-L145 HydrophobicContact SD-CD1 3.94Å; C142-L145 WeakPolarHBondContact O-CB 3.2Å; C142-L145 PolarHBondContact O-N 2.92Å; C142-L145 VanDerWaalsContact O-N 3.12Å; Y143-L145 PolarHBondContact O-N 2.99Å; L145-H148 PolarHBondContact O-N 3.33Å; L145-Y149 VanDerWaalsContact O-CB 3.31Å; L145-Y149 WeakPolarHBondContact O-CB 3.18Å; L145-Y149 PolarHBondContact O-N 2.96Å
146	V	98.2	Very high	97.1	Very high	16 Å²	16	57 Å²	57	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-45.9	-178.1	179.4	0	0	0	0	110.9	C142 Y143 Y149 L150 I183 S184 L187	C142-V146 PolarHBondContact O-N 2.95Å; Y143-V146 PolarHBondContact O-N 3.44Å; V146-Y149 PolarHBondContact O-N 3.13Å; V146-L150 HydrophobicContact CG1-CD1 3.82Å; V146-L150 HydrophobicContact CG1-CG 4.41Å; V146-L150 WeakPolarHBondContact O-CG 3.36Å; V146-L150 PolarHBondContact O-N 3.11Å; V146-I183 HydrophobicContact CG1-CB 3.93Å; V146-I183 HydrophobicContact CG1-CG2 3.73Å; V146-I183 HydrophobicContact CG2-CG2 4.21Å; V146-S184 WeakPolarHBondContact CB-OG 3.33Å; V146-L187 HydrophobicContact CG2-CD1 4.04Å
147	Y	98.6	Very high	97.2	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-46.4	177.8	176.3	-96.5	0	0	0	111.8	F88 L91 T95 Y143 Y149 N151 L177 S180	F88-Y147 PolarHBondContact O-OH 3.27Å; L91-Y147 HydrophobicContact CB-CE1 3.6Å; L91-Y147 WeakPolarHBondContact CB-OH 3.36Å; T95-Y147 HydrophobicContact CG2-CD1 3.8Å; T95-Y147 HydrophobicContact CG2-CE1 4.47Å; Y143-Y147 WeakPolarHBondContact O-CB 3.5Å; Y143-Y147 PolarHBondContact O-N 2.94Å; Y147-Y149 VanDerWaalsContact C-N 3.31Å; Y147-Y149 PolarHBondContact O-N 3.34Å; Y147-N151 HydrophobicContact CE1-CB 4.34Å; Y147-N151 WeakPolarHBondContact O-CB 3.48Å; Y147-N151 PolarHBondContact O-N 2.79Å; Y147-N151 PolarHBondContact OH-ND2 2.97Å; Y147-L177 HydrophobicContact CD2-CD1 4.25Å; Y147-L177 HydrophobicContact CE2-CB 4.46Å; Y147-L177 HydrophobicContact CE2-CD1 3.93Å; Y147-S180 WeakPolarHBondContact CD2-OG 3.37Å
148	H	98.4	Very high	97.3	Very high	54 Å²	54	55.4 Å²	55.4	25%	0.25	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-39.9	179.8	-167.9	90.3	0	0	0	111.5	H92 T95 G96 M99 P144 L145 G152	H92-H148 AromaticContact CE1-CD2 3.85Å; H92-H148 AromaticContact CE1-CE1 3.32Å; H92-H148 PolarHBondContact CE1-CE1 3.07Å; H92-H148 AromaticContact CE1-CG 3.83Å; H92-H148 AromaticContact CE1-ND1 3.51Å; H92-H148 AromaticContact CE1-NE2 3.55Å; H92-H148 PolarHBondContact CE1-O 3.45Å; H92-H148 AromaticContact ND1-CE1 3.7Å; H92-H148 AromaticContact ND1-CG 3.93Å; H92-H148 AromaticContact ND1-ND1 3.46Å; H92-H148 PolarHBondContact ND1-ND1 2.94Å; H92-H148 AromaticContact NE2-CE1 3.65Å; H92-H148 AromaticContact NE2-NE2 3.97Å; H92-H148 PolarHBondContact O-CE1 3.26Å; H92-H148 PolarHBondContact O-ND1 3.42Å; T95-H148 WeakPolarHBondContact OG1-CB 3.31Å; T95-H148 PolarHBondContact OG1-ND1 3.43Å; G96-H148 PolarHBondContact N-ND1 2.87Å; M99-H148 HydrophobicContact CE-CB 3.46Å; M99-H148 VanDerWaalsContact CE-CB 3.46Å; M99-H148 VanDerWaalsContact CE-CG 3.47Å; P144-H148 WeakPolarHBondContact O-CB 3.44Å; P144-H148 PolarHBondContact O-N 3.44Å; L145-H148 PolarHBondContact O-N 3.33Å; H148-G152 WeakPolarHBondContact O-CA 3.43Å; H148-G152 PolarHBondContact O-N 3.24Å
149	Y	98.2	Very high	97.3	Very high	153 Å²	153	57.9 Å²	57.9	60%	0.6	29%	0.293	S	S	*	.	H	α-helix	trans	-64.4	-53.8	176.8	-178	-98.4	0	0	0	112.4	L145 V146 Y147 N151 G152 M153	L145-Y149 VanDerWaalsContact O-CB 3.31Å; L145-Y149 WeakPolarHBondContact O-CB 3.18Å; L145-Y149 PolarHBondContact O-N 2.96Å; V146-Y149 PolarHBondContact O-N 3.13Å; Y147-Y149 VanDerWaalsContact C-N 3.31Å; Y147-Y149 PolarHBondContact O-N 3.34Å; Y149-N151 PolarHBondContact O-N 3.36Å; Y149-G152 WeakPolarHBondContact O-CA 3.23Å; Y149-G152 PolarHBondContact O-N 3.42Å; Y149-G152 VanDerWaalsContact O-N 3.11Å; Y149-M153 HydrophobicContact CE1-CG 4.34Å; Y149-M153 PolarHBondContact O-N 3.32Å
150	L	98.2	Very high	97.3	Very high	46 Å²	46	63.9 Å²	63.9	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-40	-178	-66.5	173.8	0	0	0	112.2	V146 G152 M153 R154 S179 I183	V146-L150 HydrophobicContact CG1-CD1 3.82Å; V146-L150 HydrophobicContact CG1-CG 4.41Å; V146-L150 WeakPolarHBondContact O-CG 3.36Å; V146-L150 PolarHBondContact O-N 3.11Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-M153 PolarHBondContact O-N 3.13Å; L150-R154 PolarHBondContact O-N 2.99Å; L150-S179 WeakPolarHBondContact CD1-OG 3.38Å; L150-I183 HydrophobicContact CD1-CD1 3.95Å
151	N	97.9	Very high	97.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.9	-32.4	174.3	-163.7	7.5	0	0	0	111.4	F88 Y147 Y149 R154 H155	F88-N151 PolarHBondContact O-ND2 3.06Å; Y147-N151 HydrophobicContact CE1-CB 4.34Å; Y147-N151 WeakPolarHBondContact O-CB 3.48Å; Y147-N151 PolarHBondContact O-N 2.79Å; Y147-N151 PolarHBondContact OH-ND2 2.97Å; Y149-N151 PolarHBondContact O-N 3.36Å; N151-R154 VanDerWaalsContact O-CB 3.3Å; N151-R154 WeakPolarHBondContact O-CB 3.3Å; N151-R154 PolarHBondContact O-N 3Å; N151-R154 VanDerWaalsContact O-N 3.13Å; N151-R154 PolarHBondContact OD1-NE 3.41Å; N151-R154 PolarHBondContact OD1-NH2 3.28Å; N151-H155 PolarHBondContact O-CD2 3.41Å; N151-H155 VanDerWaalsContact O-CD2 3.23Å; N151-H155 PolarHBondContact O-N 2.96Å
152	G	97.7	Very high	97.3	Very high	18 Å²	18	61.9 Å²	61.9	19%	0.186	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-42.9	171.4	0	0	0	0	0	112.4	H148 Y149 L150 R154 H155 L156	H148-G152 WeakPolarHBondContact O-CA 3.43Å; H148-G152 PolarHBondContact O-N 3.24Å; Y149-G152 WeakPolarHBondContact O-CA 3.23Å; Y149-G152 PolarHBondContact O-N 3.42Å; Y149-G152 VanDerWaalsContact O-N 3.11Å; L150-G152 VanDerWaalsContact C-N 3.33Å; G152-R154 VanDerWaalsContact C-N 3.26Å; G152-R154 PolarHBondContact O-N 3.41Å; G152-H155 WeakPolarHBondContact O-CB 3.48Å; G152-H155 PolarHBondContact O-N 3.07Å; G152-H155 VanDerWaalsContact O-N 3.07Å; G152-L156 WeakPolarHBondContact O-CG 3.43Å; G152-L156 PolarHBondContact O-N 3.41Å
153	M	97.2	Very high	97.1	Very high	97 Å²	97	61.7 Å²	61.7	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-37.3	172.9	-66.8	-57.9	-63.3	0	0	112.4	Y149 L150 L156 A157	Y149-M153 HydrophobicContact CE1-CG 4.34Å; Y149-M153 PolarHBondContact O-N 3.32Å; L150-M153 PolarHBondContact O-N 3.13Å; M153-L156 PolarHBondContact O-N 3.29Å; M153-L156 HydrophobicContact SD-CD1 4.15Å; M153-A157 PolarHBondContact O-N 3.07Å
154	R	96.3	Very high	97	Very high	17 Å²	17	65.8 Å²	65.8	6%	0.064	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-39.2	174.1	-173	-173.2	68.7	101.2	21.8	112	L150 N151 G152 A157 W158 T172	L150-R154 PolarHBondContact O-N 2.99Å; N151-R154 VanDerWaalsContact O-CB 3.3Å; N151-R154 WeakPolarHBondContact O-CB 3.3Å; N151-R154 PolarHBondContact O-N 3Å; N151-R154 VanDerWaalsContact O-N 3.13Å; N151-R154 PolarHBondContact OD1-NE 3.41Å; N151-R154 PolarHBondContact OD1-NH2 3.28Å; G152-R154 VanDerWaalsContact C-N 3.26Å; G152-R154 PolarHBondContact O-N 3.41Å; R154-A157 WeakPolarHBondContact O-CB 3.48Å; R154-A157 PolarHBondContact O-N 2.9Å; R154-W158 VanDerWaalsContact CZ-CZ2 3.46Å; R154-W158 PolarHBondContact O-N 2.62Å; R154-W158 VanDerWaalsContact O-N 3.13Å; R154-T172 WeakPolarHBondContact CD-OG1 3.42Å
155	H	96.9	Very high	96.9	Very high	45 Å²	45	68.6 Å²	68.6	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-42.3	173.3	-82.3	-79.3	0	0	0	112	H92 N151 G152 A157 W158 D159	H92-H155 AromaticContact CD2-CD2 3.7Å; H92-H155 AromaticContact CD2-NE2 3.75Å; H92-H155 AromaticContact CG-CD2 4Å; H92-H155 AromaticContact CG-NE2 3.96Å; H92-H155 AromaticContact NE2-CD2 3.87Å; N151-H155 PolarHBondContact O-CD2 3.41Å; N151-H155 VanDerWaalsContact O-CD2 3.23Å; N151-H155 PolarHBondContact O-N 2.96Å; G152-H155 WeakPolarHBondContact O-CB 3.48Å; G152-H155 PolarHBondContact O-N 3.07Å; G152-H155 VanDerWaalsContact O-N 3.07Å; H155-A157 VanDerWaalsContact C-N 3.31Å; H155-A157 PolarHBondContact O-N 2.71Å; H155-W158 AromaticContact CE1-CE3 3.83Å; H155-W158 AromaticContact CE1-CZ3 3.51Å; H155-W158 AromaticContact ND1-CE3 3.51Å; H155-W158 AromaticContact ND1-CZ3 3.71Å; H155-W158 WeakPolarHBondContact O-CA 3.38Å; H155-W158 WeakPolarHBondContact O-CB 3.44Å; H155-W158 PolarHBondContact O-N 3.04Å; H155-D159 PolarHBondContact O-N 3.45Å
156	L	97.4	Very high	96.7	Very high	91 Å²	91	69.5 Å²	69.5	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-39.7	173.6	-69.4	173.5	0	0	0	111.8	G152 M153 W158 D159 Y160	G152-L156 WeakPolarHBondContact O-CG 3.43Å; G152-L156 PolarHBondContact O-N 3.41Å; M153-L156 PolarHBondContact O-N 3.29Å; M153-L156 HydrophobicContact SD-CD1 4.15Å; L156-W158 VanDerWaalsContact C-N 3.26Å; L156-W158 PolarHBondContact O-N 3.1Å; L156-D159 WeakPolarHBondContact O-CB 3.26Å; L156-D159 PolarHBondContact O-N 3.34Å; L156-D159 VanDerWaalsContact O-N 3.13Å; L156-Y160 VanDerWaalsContact O-CD2 3.23Å; L156-Y160 WeakPolarHBondContact O-CD2 3.18Å; L156-Y160 PolarHBondContact O-N 3.45Å
157	A	97	Very high	96.6	Very high	34 Å²	34	77 Å²	77	28%	0.281	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-35.8	173.6	0	0	0	0	0	112.3	M153 R154 H155 Y160 A161 I162	M153-A157 PolarHBondContact O-N 3.07Å; R154-A157 WeakPolarHBondContact O-CB 3.48Å; R154-A157 PolarHBondContact O-N 2.9Å; H155-A157 VanDerWaalsContact C-N 3.31Å; H155-A157 PolarHBondContact O-N 2.71Å; A157-Y160 CarbonylContact O-C 3.57Å; A157-Y160 PolarHBondContact O-N 3.24Å; A157-A161 PolarHBondContact O-N 3.13Å; A157-I162 WeakPolarHBondContact O-CB 3.18Å; A157-I162 PolarHBondContact O-N 2.86Å
158	W	96.6	Very high	96.4	Very high	44 Å²	44	79.7 Å²	79.7	17%	0.167	41%	0.406	C	S	.	.	H	α-helix	trans	-68.4	-33.6	173.4	-65.5	-18.5	0	0	0	113.3	V85 R154 H155 L156 Y160 A161 I162 F164 C169	V85-W158 HydrophobicContact CG1-CH2 4.1Å; R154-W158 VanDerWaalsContact CZ-CZ2 3.46Å; R154-W158 PolarHBondContact O-N 2.62Å; R154-W158 VanDerWaalsContact O-N 3.13Å; H155-W158 AromaticContact CE1-CE3 3.83Å; H155-W158 AromaticContact CE1-CZ3 3.51Å; H155-W158 AromaticContact ND1-CE3 3.51Å; H155-W158 AromaticContact ND1-CZ3 3.71Å; H155-W158 WeakPolarHBondContact O-CA 3.38Å; H155-W158 WeakPolarHBondContact O-CB 3.44Å; H155-W158 PolarHBondContact O-N 3.04Å; L156-W158 VanDerWaalsContact C-N 3.26Å; L156-W158 PolarHBondContact O-N 3.1Å; W158-Y160 PolarHBondContact O-N 3.45Å; W158-A161 WeakPolarHBondContact O-CA 3.45Å; W158-A161 PolarHBondContact O-N 2.81Å; W158-I162 VanDerWaalsContact CD1-O 3.29Å; W158-F164 HydrophobicContact CB-CE1 4.31Å; W158-F164 HydrophobicContact CB-CZ 4.42Å; W158-F164 HydrophobicContact CG-CE1 4.45Å; W158-F164 WeakPolarHBondContact O-CZ 3.24Å; W158-C169 WeakPolarHBondContact CZ2-SG 3.46Å
159	D	97.2	Very high	96.3	Very high	129 Å²	129	77.6 Å²	77.6	69%	0.69	40%	0.397	S	S	*	.	H	α-helix	trans	-63.4	-29.3	173.5	-63.6	-27.8	0	0	0	111.6	H155 L156 A161	H155-D159 PolarHBondContact O-N 3.45Å; L156-D159 WeakPolarHBondContact O-CB 3.26Å; L156-D159 PolarHBondContact O-N 3.34Å; L156-D159 VanDerWaalsContact O-N 3.13Å; D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 2.61Å
160	Y	96.7	Very high	96.2	Very high	186 Å²	186	72.5 Å²	72.5	73%	0.729	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	9.3	170.1	-71.7	-73.6	0	0	0	114.5	L156 A157 W158 I162	L156-Y160 VanDerWaalsContact O-CD2 3.23Å; L156-Y160 WeakPolarHBondContact O-CD2 3.18Å; L156-Y160 PolarHBondContact O-N 3.45Å; A157-Y160 CarbonylContact O-C 3.57Å; A157-Y160 PolarHBondContact O-N 3.24Å; W158-Y160 PolarHBondContact O-N 3.45Å; Y160-I162 VanDerWaalsContact C-N 3.33Å; Y160-I162 PolarHBondContact O-N 2.91Å
161	A	95.6	Very high	96.1	Very high	69 Å²	69	74.1 Å²	74.1	57%	0.57	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	28.5	-177.7	0	0	0	0	0	116.6	A157 W158 D159 F164	A157-A161 PolarHBondContact O-N 3.13Å; W158-A161 WeakPolarHBondContact O-CA 3.45Å; W158-A161 PolarHBondContact O-N 2.81Å; D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 2.61Å; A161-F164 HydrophobicContact CB-CD2 4.41Å; A161-F164 HydrophobicContact CB-CE2 3.7Å
162	I	95.6	Very high	96.1	Very high	110 Å²	110	76.1 Å²	76.1	56%	0.564	41%	0.405	S	S	*	.			trans	-102.2	128.8	-177.6	-56.1	170	0	0	0	109.9	A157 W158 Y160	A157-I162 WeakPolarHBondContact O-CB 3.18Å; A157-I162 PolarHBondContact O-N 2.86Å; W158-I162 VanDerWaalsContact CD1-O 3.29Å; Y160-I162 VanDerWaalsContact C-N 3.33Å; Y160-I162 PolarHBondContact O-N 2.91Å
163	G	92.8	Very high	96.1	Very high	21 Å²	21	75.3 Å²	75.3	22%	0.216	40%	0.397	C	S	.	.			trans	88.2	23.6	168.7	0	0	0	0	0	116.6
164	F	94.3	Very high	96.1	Very high	133 Å²	133	76.1 Å²	76.1	58%	0.583	40%	0.398	S	S	*	.			trans	-67.8	-23.2	173.9	-71.6	-62.1	0	0	0	117.9	W158 A161 I166	W158-F164 HydrophobicContact CB-CE1 4.31Å; W158-F164 HydrophobicContact CB-CZ 4.42Å; W158-F164 HydrophobicContact CG-CE1 4.45Å; W158-F164 WeakPolarHBondContact O-CZ 3.24Å; A161-F164 HydrophobicContact CB-CD2 4.41Å; A161-F164 HydrophobicContact CB-CE2 3.7Å; F164-I166 PolarHBondContact O-N 3.36Å
165	P	95.6	Very high	96.1	Very high	84 Å²	84	80.4 Å²	80.4	55%	0.545	42%	0.42	S	S	.	.	S	Bend	trans	-55.2	134.3	176.2	-26.6	35.1	0	0	0	111.2	K167 T168 C169	P165-K167 PolarHBondContact O-N 3.45Å; P165-K167 VanDerWaalsContact O-N 3.1Å; P165-T168 WeakPolarHBondContact O-CA 3.29Å; P165-T168 WeakPolarHBondContact O-CB 3.2Å; P165-T168 PolarHBondContact O-N 2.94Å; P165-C169 PolarHBondContact O-N 3.04Å
166	I	93.7	Very high	96.2	Very high	111 Å²	111	78.5 Å²	78.5	57%	0.569	41%	0.413	S	S	*	.	H	α-helix	trans	-56.4	-35.1	-172.1	-169.2	60	0	0	0	113.1	V85 F164 C169 N170	V85-I166 HydrophobicContact CG2-CD1 3.99Å; F164-I166 PolarHBondContact O-N 3.36Å; I166-C169 PolarHBondContact O-N 3.03Å; I166-N170 PolarHBondContact O-N 2.62Å
167	K	95.7	Very high	96.2	Very high	174 Å²	174	76.2 Å²	76.2	76%	0.757	40%	0.401	S	S	*	.	H	α-helix	trans	-61.1	-52.7	174.8	-64.4	-173.8	179.9	-177.5	0	110.6	P165 C169 N170 T171	P165-K167 PolarHBondContact O-N 3.45Å; P165-K167 VanDerWaalsContact O-N 3.1Å; K167-C169 VanDerWaalsContact C-N 3.33Å; K167-C169 PolarHBondContact O-N 3.11Å; K167-N170 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-N 2.99Å; K167-T171 PolarHBondContact O-OG1 3.37Å
168	T	96.2	Very high	96.2	Very high	58 Å²	58	76.2 Å²	76.2	36%	0.356	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-41.8	177.5	-51	0	0	0	0	111.8	P165 N170 T171 T172	P165-T168 WeakPolarHBondContact O-CA 3.29Å; P165-T168 WeakPolarHBondContact O-CB 3.2Å; P165-T168 PolarHBondContact O-N 2.94Å; T168-N170 PolarHBondContact O-N 3.21Å; T168-T171 PolarHBondContact O-N 3.29Å; T168-T172 HydrophobicContact CG2-CG2 4.11Å; T168-T172 WeakPolarHBondContact O-CB 3.31Å; T168-T172 VanDerWaalsContact O-CG2 3.28Å; T168-T172 WeakPolarHBondContact O-CG2 3.25Å; T168-T172 PolarHBondContact O-N 3.29Å; T168-T172 PolarHBondContact O-OG1 2.89Å
169	C	95.2	Very high	96.3	Very high	9 Å²	9	76 Å²	76	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-43.4	178.4	-174.8	0	0	0	0	112.3	V85 W158 P165 I166 K167 T172 G173	V85-C169 VanDerWaalsContact CG1-SG 3.51Å; V85-C169 HydrophobicContact CG2-CB 4.39Å; V85-C169 WeakPolarHBondContact CG2-SG 3.41Å; W158-C169 WeakPolarHBondContact CZ2-SG 3.46Å; P165-C169 PolarHBondContact O-N 3.04Å; I166-C169 PolarHBondContact O-N 3.03Å; K167-C169 VanDerWaalsContact C-N 3.33Å; K167-C169 PolarHBondContact O-N 3.11Å; C169-T172 PolarHBondContact O-OG1 2.86Å; C169-T172 VanDerWaalsContact O-OG1 3.13Å; C169-G173 PolarHBondContact O-N 3.16Å; C169-G173 VanDerWaalsContact O-N 3.14Å
170	N	96.1	Very high	96.3	Very high	46 Å²	46	69.8 Å²	69.8	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-70.5	-45	176.1	-72.3	-18.7	0	0	0	112	V85 I166 K167 T168 G173 F174	V85-N170 WeakPolarHBondContact CG2-OD1 3.49Å; I166-N170 PolarHBondContact O-N 2.62Å; K167-N170 PolarHBondContact O-N 3.44Å; T168-N170 PolarHBondContact O-N 3.21Å; N170-G173 PolarHBondContact O-N 3.37Å; N170-F174 WeakPolarHBondContact O-CD2 3.4Å; N170-F174 PolarHBondContact O-N 3.37Å
171	T	97.1	Very high	96.4	Very high	81 Å²	81	64.5 Å²	64.5	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-48.5	179.5	-59	0	0	0	0	111.5	K167 T168 G173 F174 I175	K167-T171 PolarHBondContact O-N 2.99Å; K167-T171 PolarHBondContact O-OG1 3.37Å; T168-T171 PolarHBondContact O-N 3.29Å; T171-G173 VanDerWaalsContact C-N 3.28Å; T171-G173 PolarHBondContact O-N 3.22Å; T171-F174 PolarHBondContact O-N 3.08Å; T171-I175 HydrophobicContact CG2-CD1 3.83Å; T171-I175 HydrophobicContact CG2-CG1 4.41Å; T171-I175 VanDerWaalsContact O-CG1 3.29Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.32Å
172	T	97.2	Very high	96.5	Very high	42 Å²	42	65.3 Å²	65.3	26%	0.258	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-34.4	177.4	53.1	0	0	0	0	112.1	R154 T168 C169 I175 A176	R154-T172 WeakPolarHBondContact CD-OG1 3.42Å; T168-T172 HydrophobicContact CG2-CG2 4.11Å; T168-T172 WeakPolarHBondContact O-CB 3.31Å; T168-T172 VanDerWaalsContact O-CG2 3.28Å; T168-T172 WeakPolarHBondContact O-CG2 3.25Å; T168-T172 PolarHBondContact O-N 3.29Å; T168-T172 PolarHBondContact O-OG1 2.89Å; C169-T172 PolarHBondContact O-OG1 2.86Å; C169-T172 VanDerWaalsContact O-OG1 3.13Å; T172-I175 PolarHBondContact O-N 3.44Å; T172-A176 WeakPolarHBondContact O-CB 3.35Å; T172-A176 PolarHBondContact O-N 3.5Å
173	G	97	Very high	96.6	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-45.3	172.8	0	0	0	0	0	113	F88 C169 N170 T171 A176 L177	F88-G173 VanDerWaalsContact CZ-C 3.49Å; C169-G173 PolarHBondContact O-N 3.16Å; C169-G173 VanDerWaalsContact O-N 3.14Å; N170-G173 PolarHBondContact O-N 3.37Å; T171-G173 VanDerWaalsContact C-N 3.28Å; T171-G173 PolarHBondContact O-N 3.22Å; G173-A176 PolarHBondContact O-N 3.27Å; G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 2.82Å
174	F	97.3	Very high	96.8	Very high	114 Å²	114	62.4 Å²	62.4	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-66.6	-39.2	174	-81.1	-64	0	0	0	112.9	L84 F88 N170 T171 L177 G178	L84-F174 HydrophobicContact CD1-CE2 3.51Å; L84-F174 HydrophobicContact CD1-CZ 3.67Å; L84-F174 HydrophobicContact CD2-CZ 4.39Å; F88-F174 HydrophobicContact CZ-CD1 4.31Å; F88-F174 HydrophobicContact CZ-CE1 4.5Å; F88-F174 HydrophobicContact CZ-CG 4.36Å; N170-F174 WeakPolarHBondContact O-CD2 3.4Å; N170-F174 PolarHBondContact O-N 3.37Å; T171-F174 PolarHBondContact O-N 3.08Å; F174-L177 PolarHBondContact O-N 2.97Å; F174-G178 PolarHBondContact O-N 3.17Å
175	I	97.6	Very high	97	Very high	106 Å²	106	58 Å²	58	54%	0.544	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-48.6	174.8	-70.5	168.2	0	0	0	109.6	T171 T172 L177 G178 S179	T171-I175 HydrophobicContact CG2-CD1 3.83Å; T171-I175 HydrophobicContact CG2-CG1 4.41Å; T171-I175 VanDerWaalsContact O-CG1 3.29Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.32Å; T172-I175 PolarHBondContact O-N 3.44Å; I175-L177 PolarHBondContact O-N 3.48Å; I175-G178 PolarHBondContact O-N 3.07Å; I175-S179 VanDerWaalsContact O-CB 3.24Å; I175-S179 WeakPolarHBondContact O-CB 3.31Å; I175-S179 PolarHBondContact O-N 3.37Å; I175-S179 PolarHBondContact O-OG 3.33Å
176	A	97.6	Very high	97	Very high	6 Å²	6	59 Å²	59	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-44.2	178.2	0	0	0	0	0	111.6	T172 G173 S179 S180	T172-A176 WeakPolarHBondContact O-CB 3.35Å; T172-A176 PolarHBondContact O-N 3.5Å; G173-A176 PolarHBondContact O-N 3.27Å; A176-S179 PolarHBondContact O-OG 3.18Å; A176-S180 WeakPolarHBondContact O-CB 3.4Å; A176-S180 PolarHBondContact O-N 3.26Å; A176-S180 PolarHBondContact O-OG 3.43Å; A176-S180 VanDerWaalsContact O-OG 3.07Å
177	L	97.8	Very high	97.1	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-52.5	177.5	-175.2	68.8	0	0	0	111.7	F88 Y143 Y147 G173 F174 I175 S180 L181	F88-L177 HydrophobicContact CE1-CB 4.3Å; F88-L177 HydrophobicContact CE1-CD2 4.22Å; Y143-L177 WeakPolarHBondContact OH-CD1 3.43Å; Y147-L177 HydrophobicContact CD2-CD1 4.25Å; Y147-L177 HydrophobicContact CE2-CB 4.46Å; Y147-L177 HydrophobicContact CE2-CD1 3.93Å; G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 2.82Å; F174-L177 PolarHBondContact O-N 2.97Å; I175-L177 PolarHBondContact O-N 3.48Å; L177-S180 PolarHBondContact O-N 2.93Å; L177-S180 PolarHBondContact O-OG 2.93Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.33Å; L177-L181 VanDerWaalsContact O-N 3.13Å
178	G	97.7	Very high	97.1	Very high	33 Å²	33	49.5 Å²	49.5	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-48.2	-177.9	0	0	0	0	0	113	F174 I175 S180 L181 V182	F174-G178 PolarHBondContact O-N 3.17Å; I175-G178 PolarHBondContact O-N 3.07Å; G178-S180 VanDerWaalsContact C-N 3.32Å; G178-S180 PolarHBondContact O-N 3.46Å; G178-L181 PolarHBondContact O-N 3.29Å; G178-V182 WeakPolarHBondContact O-CG2 3.36Å; G178-V182 PolarHBondContact O-N 2.9Å; G178-V182 VanDerWaalsContact O-N 3.1Å
179	S	98	Very high	96.9	Very high	39 Å²	39	51.2 Å²	51.2	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-39.5	177.1	57.2	0	0	0	0	111.9	L150 I175 A176 L181 V182 I183	L150-S179 WeakPolarHBondContact CD1-OG 3.38Å; I175-S179 VanDerWaalsContact O-CB 3.24Å; I175-S179 WeakPolarHBondContact O-CB 3.31Å; I175-S179 PolarHBondContact O-N 3.37Å; I175-S179 PolarHBondContact O-OG 3.33Å; A176-S179 PolarHBondContact O-OG 3.18Å; S179-L181 PolarHBondContact O-N 2.93Å; S179-V182 PolarHBondContact O-N 2.89Å; S179-I183 WeakPolarHBondContact O-CB 3.48Å; S179-I183 WeakPolarHBondContact O-CD1 3.47Å; S179-I183 VanDerWaalsContact O-CG1 3.26Å; S179-I183 WeakPolarHBondContact O-CG1 3.37Å; S179-I183 PolarHBondContact O-N 3.35Å
180	S	98.1	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-39.7	176.3	70.8	0	0	0	0	113.1	Y143 Y147 A176 L177 G178 S184	Y143-S180 WeakPolarHBondContact CE2-OG 3.49Å; Y147-S180 WeakPolarHBondContact CD2-OG 3.37Å; A176-S180 WeakPolarHBondContact O-CB 3.4Å; A176-S180 PolarHBondContact O-N 3.26Å; A176-S180 PolarHBondContact O-OG 3.43Å; A176-S180 VanDerWaalsContact O-OG 3.07Å; L177-S180 PolarHBondContact O-N 2.93Å; L177-S180 PolarHBondContact O-OG 2.93Å; G178-S180 VanDerWaalsContact C-N 3.32Å; G178-S180 PolarHBondContact O-N 3.46Å; S180-S184 WeakPolarHBondContact O-CB 3.26Å; S180-S184 PolarHBondContact O-N 3.48Å; S180-S184 PolarHBondContact O-OG 3.22Å
181	L	97.9	Very high	96.2	Very high	75 Å²	75	62.9 Å²	62.9	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-47.2	176.3	-73.1	169.3	0	0	0	111.1	F139 Y143 L177 G178 S179 A185	F139-L181 HydrophobicContact CZ-CD2 4.01Å; Y143-L181 HydrophobicContact CD2-CD2 4.02Å; Y143-L181 HydrophobicContact CE2-CD2 3.42Å; Y143-L181 VanDerWaalsContact CE2-CD2 3.42Å; Y143-L181 HydrophobicContact CE2-CG 3.85Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.33Å; L177-L181 VanDerWaalsContact O-N 3.13Å; G178-L181 PolarHBondContact O-N 3.29Å; S179-L181 PolarHBondContact O-N 2.93Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.43Å; L181-A185 PolarHBondContact O-N 3.08Å
182	V	98	Very high	95	Very high	86 Å²	86	69.5 Å²	69.5	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-50.6	-179.7	174	0	0	0	0	111.1	G178 S179 S184 A185 I186	G178-V182 WeakPolarHBondContact O-CG2 3.36Å; G178-V182 PolarHBondContact O-N 2.9Å; G178-V182 VanDerWaalsContact O-N 3.1Å; S179-V182 PolarHBondContact O-N 2.89Å; V182-S184 VanDerWaalsContact C-N 3.34Å; V182-S184 PolarHBondContact O-N 3.27Å; V182-A185 PolarHBondContact O-N 2.84Å; V182-I186 HydrophobicContact CG1-CD1 3.81Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.97Å
183	I	97.7	Very high	94.9	Very high	69 Å²	69	70.9 Å²	70.9	35%	0.354	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-44.3	-179.4	-68.4	163.8	0	0	0	110.4	V146 L150 S179 A185 I186 L187	V146-I183 HydrophobicContact CG1-CB 3.93Å; V146-I183 HydrophobicContact CG1-CG2 3.73Å; V146-I183 HydrophobicContact CG2-CG2 4.21Å; L150-I183 HydrophobicContact CD1-CD1 3.95Å; S179-I183 WeakPolarHBondContact O-CB 3.48Å; S179-I183 WeakPolarHBondContact O-CD1 3.47Å; S179-I183 VanDerWaalsContact O-CG1 3.26Å; S179-I183 WeakPolarHBondContact O-CG1 3.37Å; S179-I183 PolarHBondContact O-N 3.35Å; I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 PolarHBondContact O-N 2.88Å; I183-I186 PolarHBondContact O-N 3.31Å; I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.39Å; I183-L187 WeakPolarHBondContact O-CB 3.48Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 2.7Å
184	S	97.8	Very high	94.8	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-66.5	-36.5	179.2	-52.9	0	0	0	0	112.3	Y143 V146 S180 V182 L187 A188	Y143-S184 WeakPolarHBondContact CA-OG 3.05Å; V146-S184 WeakPolarHBondContact CB-OG 3.33Å; S180-S184 WeakPolarHBondContact O-CB 3.26Å; S180-S184 PolarHBondContact O-N 3.48Å; S180-S184 PolarHBondContact O-OG 3.22Å; V182-S184 VanDerWaalsContact C-N 3.34Å; V182-S184 PolarHBondContact O-N 3.27Å; S184-L187 PolarHBondContact O-N 3.07Å; S184-A188 VanDerWaalsContact O-CB 3.26Å; S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.16Å
185	A	96.6	Very high	94.7	Very high	41 Å²	41	72.4 Å²	72.4	34%	0.339	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-43.4	175.2	0	0	0	0	0	111.5	F139 L181 V182 I183 A188 C189	F139-A185 HydrophobicContact CD2-CB 4.44Å; F139-A185 HydrophobicContact CE2-CB 4.16Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.43Å; L181-A185 PolarHBondContact O-N 3.08Å; V182-A185 PolarHBondContact O-N 2.84Å; I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 PolarHBondContact O-N 2.88Å; A185-A188 PolarHBondContact O-N 3.44Å; A185-C189 PolarHBondContact O-N 3Å; A185-C189 VanDerWaalsContact O-N 3.07Å; A185-C189 PolarHBondContact O-SG 3.11Å
186	I	96.6	Very high	94.5	Very high	104 Å²	104	70.4 Å²	70.4	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-50.6	174.5	-67.8	166.3	0	0	0	109.8	V182 I183 A188 C189 I190	V182-I186 HydrophobicContact CG1-CD1 3.81Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.97Å; I183-I186 PolarHBondContact O-N 3.31Å; I186-A188 VanDerWaalsContact C-N 3.31Å; I186-A188 PolarHBondContact O-N 3.38Å; I186-C189 PolarHBondContact O-N 3.13Å; I186-C189 VanDerWaalsContact O-N 3.17Å; I186-I190 WeakPolarHBondContact O-CG1 3.49Å; I186-I190 PolarHBondContact O-N 2.94Å
187	L	96.2	Very high	94.3	Very high	79 Å²	79	74.4 Å²	74.4	41%	0.414	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-38.6	179.4	-70.2	173.2	0	0	0	112.5	C142 V146 I183 S184 C189 I190	C142-L187 WeakPolarHBondContact SG-CD1 3.3Å; V146-L187 HydrophobicContact CG2-CD1 4.04Å; I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.39Å; I183-L187 WeakPolarHBondContact O-CB 3.48Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 2.7Å; S184-L187 PolarHBondContact O-N 3.07Å; L187-C189 VanDerWaalsContact C-N 3.33Å; L187-C189 PolarHBondContact O-N 2.82Å; L187-I190 HydrophobicContact CD2-CD1 4.15Å; L187-I190 PolarHBondContact O-N 3.5Å
188	A	95.1	Very high	94.1	Very high	7 Å²	7	76.5 Å²	76.5	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-67.6	-31.6	177.7	0	0	0	0	0	113.4	K138 F139 S184 A185 I186	K138-A188 HydrophobicContact CB-CB 4.14Å; F139-A188 HydrophobicContact CB-CB 3.76Å; F139-A188 HydrophobicContact CD2-CB 4.26Å; S184-A188 VanDerWaalsContact O-CB 3.26Å; S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.16Å; A185-A188 PolarHBondContact O-N 3.44Å; I186-A188 VanDerWaalsContact C-N 3.31Å; I186-A188 PolarHBondContact O-N 3.38Å
189	C	92.6	Very high	93.8	Very high	95 Å²	95	79.6 Å²	79.6	64%	0.642	42%	0.423	S	S	*	.	H	α-helix	trans	-79.1	-14.2	179.7	-72.6	0	0	0	0	114.1	A185 I186 L187 R191	A185-C189 PolarHBondContact O-N 3Å; A185-C189 VanDerWaalsContact O-N 3.07Å; A185-C189 PolarHBondContact O-SG 3.11Å; I186-C189 PolarHBondContact O-N 3.13Å; I186-C189 VanDerWaalsContact O-N 3.17Å; L187-C189 VanDerWaalsContact C-N 3.33Å; L187-C189 PolarHBondContact O-N 2.82Å; C189-R191 PolarHBondContact O-N 2.89Å; C189-R191 VanDerWaalsContact O-N 3.16Å
190	I	92.2	Very high	93.5	Very high	82 Å²	82	82.8 Å²	82.8	42%	0.421	43%	0.434	S	S	.	.			trans	-64.9	117.7	177.2	-63.2	171.1	0	0	0	109.2	K138 I186 L187 L192	K138-I190 PolarHBondContact NZ-O 3.29Å; I186-I190 WeakPolarHBondContact O-CG1 3.49Å; I186-I190 PolarHBondContact O-N 2.94Å; L187-I190 HydrophobicContact CD2-CD1 4.15Å; L187-I190 PolarHBondContact O-N 3.5Å; I190-L192 HydrophobicContact CG2-CG 4.27Å
191	R	83.5	Confident	93.1	Very high	218 Å²	218	89.7 Å²	89.7	82%	0.823	47%	0.471	S	S	*	.			trans	-87.3	105.8	170.4	-65.1	-174.5	-176.2	158.6	1.6	107.8	C189	C189-R191 PolarHBondContact O-N 2.89Å; C189-R191 VanDerWaalsContact O-N 3.16Å
192	L	73	Confident	92.7	Very high	220 Å²	220	91 Å²	91	100%	1.152	48%	0.478	S	S	*	.			trans	-90.8	0	164.5	-73.5	163	0	0	0	108.6	I190	I190-L192 HydrophobicContact CG2-CG 4.27Å

Retrieved 192 of 192 residues in 494.2 ms (Link to these results)

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