A0A077ZG84_TRITR Loading...

Cytochrome c oxidase subunit 4

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation.

AlphaFold DB , UniProt , Accession A0A077ZG84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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	47.3	Very low	57.1	Low	225 Å²	225	165.2 Å²	165.2	100%	1.108	82%	0.824	S	S	*	*				0	106	0	-99	161.2	155.8	0	0	108.4	F3	M1-F3 PolarHBondContact O-N 2.98Å
2	N	45.8	Very low	57	Low	163 Å²	163	159.3 Å²	159.3	87%	0.872	80%	0.797	S	S	*	*			trans	-80.5	108.7	176.5	-76	-20.5	0	0	0	109	V4	N2-V4 PolarHBondContact O-N 3.02Å
3	F	55.8	Low	57.1	Low	198 Å²	198	153.8 Å²	153.8	87%	0.868	78%	0.777	S	S	*	*			trans	-74.1	93.6	170.4	-90	-84.4	0	0	0	109.1	M1 R5	M1-F3 PolarHBondContact O-N 2.98Å; F3-R5 PolarHBondContact O-N 3Å
4	V	61.3	Low	56.8	Low	125 Å²	125	155.4 Å²	155.4	76%	0.758	78%	0.783	S	S	*	*			trans	-64.7	106.4	167.6	178	0	0	0	0	107.5	N2 Q6	N2-V4 PolarHBondContact O-N 3.02Å; V4-Q6 PolarHBondContact O-N 3.16Å
5	R	54.4	Low	56.8	Low	237 Å²	237	159.5 Å²	159.5	89%	0.894	79%	0.785	S	S	*	*			trans	-68.5	96.8	174.4	-170.1	-175	-87.8	-146.1	-0.7	108	F3 K7	F3-R5 PolarHBondContact O-N 3Å; R5-K7 PolarHBondContact O-N 2.99Å
6	Q	63.7	Low	56.5	Low	178 Å²	178	156.4 Å²	156.4	83%	0.832	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.6	121.4	173.5	-72.3	-174.2	-10.8	0	0	109.2	V4	V4-Q6 PolarHBondContact O-N 3.16Å
7	K	53.5	Low	56.5	Low	192 Å²	192	154.1 Å²	154.1	84%	0.835	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-68.8	129.3	172	-67.8	-174.4	178.3	-176.1	0	107.9	R5 I9	R5-K7 PolarHBondContact O-N 2.99Å; K7-I9 PolarHBondContact O-N 2.93Å
8	P	54.3	Low	56.5	Low	114 Å²	114	150.2 Å²	150.2	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.8	178.4	26.4	-32.5	0	0	0	110	I10	P8-I10 PolarHBondContact O-N 3.28Å
9	I	67.5	Low	56.5	Low	146 Å²	146	153.2 Å²	153.2	75%	0.749	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60	122.6	175.2	-65.9	166.9	0	0	0	108.6	K7 S11	K7-I9 PolarHBondContact O-N 2.93Å; I9-S11 PolarHBondContact O-N 2.85Å; I9-S11 VanDerWaalsContact O-N 3.11Å
10	I	61.6	Low	56.6	Low	144 Å²	144	156.1 Å²	156.1	74%	0.738	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-66.8	-12.5	-168.2	-62.5	169.4	0	0	0	113.2	P8 N12 V13	P8-I10 PolarHBondContact O-N 3.28Å; I10-N12 VanDerWaalsContact C-N 3.26Å; I10-N12 PolarHBondContact O-N 2.98Å; I10-V13 HydrophobicContact CG2-CG2 4.36Å; I10-V13 WeakPolarHBondContact O-CG2 3.24Å
11	S	62.7	Low	56.7	Low	95 Å²	95	155.2 Å²	155.2	66%	0.664	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-69.8	-14.7	-173.9	62	0	0	0	0	115.4	I9	I9-S11 PolarHBondContact O-N 2.85Å; I9-S11 VanDerWaalsContact O-N 3.11Å
12	N	56.6	Low	56.7	Low	95 Å²	95	150.7 Å²	150.7	51%	0.508	74%	0.741	S	S	.	*	G	3₁₀ helix	trans	-109.5	18	-177.2	-77.5	-30.2	0	0	0	114.9	I10 M14 R15 L16	I10-N12 VanDerWaalsContact C-N 3.26Å; I10-N12 PolarHBondContact O-N 2.98Å; N12-M14 PolarHBondContact O-N 2.9Å; N12-R15 PolarHBondContact O-N 3.22Å; N12-L16 PolarHBondContact O-N 3.45Å
13	V	58.4	Low	56.5	Low	88 Å²	88	148.8 Å²	148.8	53%	0.533	74%	0.735	S	S	.	*	H	α-helix	trans	-56.8	-38.1	178.8	172	0	0	0	0	111.6	I10 R15 L16 V17	I10-V13 HydrophobicContact CG2-CG2 4.36Å; I10-V13 WeakPolarHBondContact O-CG2 3.24Å; V13-R15 PolarHBondContact O-N 3.39Å; V13-L16 PolarHBondContact O-N 2.96Å; V13-V17 PolarHBondContact O-N 2.99Å
14	M	52.9	Low	55.9	Low	176 Å²	176	143.5 Å²	143.5	87%	0.867	72%	0.722	S	S	*	*	H	α-helix	trans	-69.3	-31.7	-177.6	-148.9	-169.1	-162.5	0	0	113.4	N12	N12-M14 PolarHBondContact O-N 2.9Å
15	R	55.6	Low	54.9	Low	216 Å²	216	142.5 Å²	142.5	82%	0.815	72%	0.72	S	S	*	*	H	α-helix	trans	-77.1	-27.1	176.3	-81.7	-174.1	178.7	-174.5	0.9	113	N12 V13 V17	N12-R15 PolarHBondContact O-N 3.22Å; V13-R15 PolarHBondContact O-N 3.39Å; R15-V17 VanDerWaalsContact C-N 3.34Å
16	L	52.9	Low	54.4	Low	111 Å²	111	135.1 Å²	135.1	58%	0.581	70%	0.703	S	S	*	*	H	α-helix	trans	-71.9	-27	177.8	-85.8	159.9	0	0	0	113.2	N12 V13 A18	N12-L16 PolarHBondContact O-N 3.45Å; V13-L16 PolarHBondContact O-N 2.96Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.29Å
17	V	56.4	Low	53.5	Low	117 Å²	117	134.4 Å²	134.4	71%	0.709	70%	0.704	S	S	*	*	H	α-helix	trans	-70.4	-24.9	178.7	177.8	0	0	0	0	112	V13 R15 R19	V13-V17 PolarHBondContact O-N 2.99Å; R15-V17 VanDerWaalsContact C-N 3.34Å; V17-R19 PolarHBondContact O-N 3.33Å
18	A	56.1	Low	53.2	Low	84 Å²	84	134.3 Å²	134.3	69%	0.694	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	24	179.6	0	0	0	0	0	114.2	L16 R20	L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.29Å; A18-R20 VanDerWaalsContact C-N 3.35Å; A18-R20 PolarHBondContact O-N 3.03Å
19	R	57.6	Low	52.8	Low	207 Å²	207	131.4 Å²	131.4	78%	0.781	68%	0.681	S	S	*	*			trans	-66.3	100.3	165.2	-84.1	-172.2	172.1	-174.6	-1.9	107.8	V17 I21	V17-R19 PolarHBondContact O-N 3.33Å; R19-I21 PolarHBondContact O-N 3.09Å
20	R	57.9	Low	51.9	Low	211 Å²	211	126.7 Å²	126.7	80%	0.796	67%	0.669	S	S	*	*			trans	-46.2	112.9	171	-170.9	177.5	-169.4	-140.4	1.9	108	A18 Q22	A18-R20 VanDerWaalsContact C-N 3.35Å; A18-R20 PolarHBondContact O-N 3.03Å; R20-Q22 VanDerWaalsContact C-N 3.25Å; R20-Q22 PolarHBondContact O-N 3.14Å
21	I	58.5	Low	51.5	Low	138 Å²	138	127.5 Å²	127.5	71%	0.708	67%	0.67	S	S	*	*			trans	-64.2	96.9	168.9	-56.4	174.8	0	0	0	104.9	R19 T23	R19-I21 PolarHBondContact O-N 3.09Å; I21-T23 VanDerWaalsContact C-N 3.29Å; I21-T23 HydrophobicContact CG2-CG2 3.65Å; I21-T23 PolarHBondContact O-N 3.03Å
22	Q	47.5	Very low	50.7	Low	130 Å²	130	131.7 Å²	131.7	61%	0.607	68%	0.678	S	S	*	*			trans	-73.9	94.7	166.1	-85.4	-166.7	-50.3	0	0	106.6	R20 S24	R20-Q22 VanDerWaalsContact C-N 3.25Å; R20-Q22 PolarHBondContact O-N 3.14Å; Q22-S24 PolarHBondContact O-N 3.43Å; Q22-S24 VanDerWaalsContact O-N 3.1Å
23	T	41.7	Very low	50.5	Low	123 Å²	123	127.4 Å²	127.4	76%	0.755	66%	0.657	S	S	*	*			trans	-76	28.2	164.8	54	0	0	0	0	111.7	I21 C25	I21-T23 VanDerWaalsContact C-N 3.29Å; I21-T23 HydrophobicContact CG2-CG2 3.65Å; I21-T23 PolarHBondContact O-N 3.03Å; T23-C25 PolarHBondContact O-N 3.32Å
24	S	43.5	Very low	50.5	Low	86 Å²	86	124.9 Å²	124.9	60%	0.601	64%	0.64	S	S	*	*			trans	-73.2	73.3	168.1	-175.9	0	0	0	0	107.8	Q22 C26	Q22-S24 PolarHBondContact O-N 3.43Å; Q22-S24 VanDerWaalsContact O-N 3.1Å; S24-C26 VanDerWaalsContact C-N 3.34Å; S24-C26 PolarHBondContact O-N 3.28Å; S24-C26 VanDerWaalsContact O-N 3.1Å
25	C	38.9	Very low	50.9	Low	105 Å²	105	124.5 Å²	124.5	71%	0.709	64%	0.64	S	S	*	*			trans	-60.5	108.5	151.2	-176.4	0	0	0	0	104.7	T23 L27	T23-C25 PolarHBondContact O-N 3.32Å; C25-L27 PolarHBondContact O-N 2.86Å
26	C	45.2	Very low	51.3	Low	81 Å²	81	124.4 Å²	124.4	55%	0.547	64%	0.64	S	S	.	*			trans	-52.6	115.8	163	-55.3	0	0	0	0	105.4	S24 R28	S24-C26 VanDerWaalsContact C-N 3.34Å; S24-C26 PolarHBondContact O-N 3.28Å; S24-C26 VanDerWaalsContact O-N 3.1Å; C26-R28 PolarHBondContact O-N 3.48Å
27	L	43.4	Very low	52.3	Low	163 Å²	163	125.2 Å²	125.2	85%	0.853	64%	0.636	S	S	*	*			trans	-56.3	104.5	176.7	-76.1	160.2	0	0	0	107.5	C25 S29	C25-L27 PolarHBondContact O-N 2.86Å; L27-S29 PolarHBondContact O-N 2.85Å
28	R	47.7	Very low	53	Low	191 Å²	191	119.9 Å²	119.9	72%	0.721	61%	0.605	S	S	*	*			trans	-68.1	92.4	175.7	-178.8	-179	176.2	-165.1	-3.1	108	C26 G30	C26-R28 PolarHBondContact O-N 3.48Å; R28-G30 PolarHBondContact O-N 3.35Å
29	S	46.9	Very low	53.9	Low	52 Å²	52	120.2 Å²	120.2	36%	0.364	60%	0.6	S	S	.	*			trans	-80.9	101.5	164.4	62.2	0	0	0	0	107.4	L27 E31 R41	L27-S29 PolarHBondContact O-N 2.85Å; S29-E31 PolarHBondContact O-N 2.91Å; S29-R41 VanDerWaalsContact OG-CZ 3.31Å; S29-R41 PolarHBondContact OG-NH1 3.2Å; S29-R41 PolarHBondContact OG-NH2 3.44Å
30	G	47.2	Very low	54.9	Low	48 Å²	48	117 Å²	117	50%	0.495	59%	0.594	S	S	.	*			trans	-62.8	131.8	170.1	0	0	0	0	0	110.8	R28 H32	R28-G30 PolarHBondContact O-N 3.35Å; G30-H32 PolarHBondContact O-N 3.39Å; G30-H32 VanDerWaalsContact O-N 3.09Å
31	E	53.1	Low	55.8	Low	161 Å²	161	111.5 Å²	111.5	75%	0.752	57%	0.573	S	S	*	*	S	Bend	trans	68.7	-3.8	147.4	-66.3	-174	149.3	0	0	121.9	S29	S29-E31 PolarHBondContact O-N 2.91Å
32	H	46.2	Very low	56.9	Low	183 Å²	183	105.1 Å²	105.1	85%	0.847	54%	0.541	S	S	*	.	S	Bend	trans	-119.5	12.8	-179.2	-81.8	34.6	0	0	0	115.7	G30	G30-H32 PolarHBondContact O-N 3.39Å; G30-H32 VanDerWaalsContact O-N 3.09Å
33	G	52.4	Low	58.7	Low	5 Å²	5	100.8 Å²	100.8	5%	0.052	53%	0.528	C	S	.	.	S	Bend	trans	-114.1	-20.2	-173.4	0	0	0	0	0	117.1	L35 W36 Y37	G33-L35 PolarHBondContact O-N 2.92Å; G33-W36 PolarHBondContact O-N 3.47Å; G33-Y37 WeakPolarHBondContact O-CA 3.46Å; G33-Y37 WeakPolarHBondContact O-CB 3.2Å; G33-Y37 PolarHBondContact O-N 2.78Å
34	D	58.3	Low	60.8	Low	35 Å²	35	98 Å²	98	19%	0.187	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17	-158.9	-59	-78.3	0	0	0	115.2	A38 D54 L55	D34-A38 WeakPolarHBondContact O-CB 3.3Å; D34-D54 WeakPolarHBondContact OD1-CA 3.4Å; D34-L55 PolarHBondContact OD1-N 3.41Å
35	L	62.7	Low	63	Low	167 Å²	167	96.6 Å²	96.6	87%	0.874	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-36	173.6	-72.9	166.9	0	0	0	112.3	G33	G33-L35 PolarHBondContact O-N 2.92Å
36	W	62.7	Low	65.4	Low	214 Å²	214	94.8 Å²	94.8	81%	0.811	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-41.4	-173.8	-67.4	108.7	0	0	0	113.4	G33	G33-W36 PolarHBondContact O-N 3.47Å
37	Y	74	Confident	67.4	Low	128 Å²	128	95.4 Å²	95.4	50%	0.502	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.1	-173.5	-60.5	-74.5	0	0	0	113.3	G33 E40 R41	G33-Y37 WeakPolarHBondContact O-CA 3.46Å; G33-Y37 WeakPolarHBondContact O-CB 3.2Å; G33-Y37 PolarHBondContact O-N 2.78Å; Y37-E40 WeakPolarHBondContact CD1-OE2 3.37Å; Y37-E40 PolarHBondContact O-N 2.88Å; Y37-R41 WeakPolarHBondContact O-CB 3.44Å; Y37-R41 VanDerWaalsContact O-CG 3.31Å; Y37-R41 WeakPolarHBondContact O-CG 3.27Å; Y37-R41 PolarHBondContact O-N 3.31Å
38	A	70.7	Confident	69.6	Low	5 Å²	5	90.3 Å²	90.3	4%	0.041	46%	0.458	C	S	.	.	H	α-helix	trans	-56.1	-45.5	-179.9	0	0	0	0	0	114.7	D34 E40 R41 A42 L55	D34-A38 WeakPolarHBondContact O-CB 3.3Å; A38-E40 VanDerWaalsContact C-N 3.27Å; A38-E40 PolarHBondContact O-N 3.07Å; A38-R41 PolarHBondContact O-N 3.06Å; A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.31Å; A38-A42 PolarHBondContact O-N 2.92Å; A38-L55 HydrophobicContact CB-CB 3.96Å; A38-L55 HydrophobicContact CB-CD1 3.28Å; A38-L55 HydrophobicContact CB-CG 4.17Å
39	P	75.9	Confident	71.4	Confident	91 Å²	91	82.5 Å²	82.5	59%	0.591	44%	0.436	S	S	*	.	H	α-helix	trans	-62.3	-38.5	178.6	-21.7	33.7	0	0	0	111.9	A43	P39-A43 PolarHBondContact O-N 3.41Å; P39-A43 VanDerWaalsContact O-N 3.08Å
40	E	79.4	Confident	73.1	Confident	139 Å²	139	86.9 Å²	86.9	65%	0.65	45%	0.451	S	S	*	.	H	α-helix	trans	-66.8	-43.9	176.4	-61.7	-174.2	171.6	0	0	111.6	Y37 A38 A43	Y37-E40 WeakPolarHBondContact CD1-OE2 3.37Å; Y37-E40 PolarHBondContact O-N 2.88Å; A38-E40 VanDerWaalsContact C-N 3.27Å; A38-E40 PolarHBondContact O-N 3.07Å; E40-A43 WeakPolarHBondContact O-CA 3.34Å; E40-A43 WeakPolarHBondContact O-CB 3.26Å; E40-A43 PolarHBondContact O-N 3.05Å
41	R	75.8	Confident	74.7	Confident	96 Å²	96	86.1 Å²	86.1	36%	0.362	44%	0.443	S	S	.	.	H	α-helix	trans	-66.5	-39.9	176.8	-72.6	177.8	-174.1	-114.2	3.5	112.6	S29 Y37 A38 A43 R45	S29-R41 VanDerWaalsContact OG-CZ 3.31Å; S29-R41 PolarHBondContact OG-NH1 3.2Å; S29-R41 PolarHBondContact OG-NH2 3.44Å; Y37-R41 WeakPolarHBondContact O-CB 3.44Å; Y37-R41 VanDerWaalsContact O-CG 3.31Å; Y37-R41 WeakPolarHBondContact O-CG 3.27Å; Y37-R41 PolarHBondContact O-N 3.31Å; A38-R41 PolarHBondContact O-N 3.06Å; R41-A43 PolarHBondContact O-N 3.34Å; R41-R45 PolarHBondContact O-NH2 2.97Å
42	A	82.2	Confident	75.9	Confident	4 Å²	4	85.3 Å²	85.3	3%	0.033	43%	0.434	C	S	.	.	H	α-helix	trans	-59.7	-30.3	170.7	0	0	0	0	0	110.6	A38 G44 R45 L68	A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.31Å; A38-A42 PolarHBondContact O-N 2.92Å; A42-G44 PolarHBondContact O-N 3.24Å; A42-G44 VanDerWaalsContact O-N 3.13Å; A42-R45 VanDerWaalsContact O-CB 3.25Å; A42-R45 WeakPolarHBondContact O-CB 3.4Å; A42-R45 VanDerWaalsContact O-CG 3.3Å; A42-R45 WeakPolarHBondContact O-CG 3.26Å; A42-R45 PolarHBondContact O-N 3.49Å; A42-R45 PolarHBondContact O-NH1 2.89Å; A42-L68 HydrophobicContact CB-CD1 4.22Å; A42-L68 HydrophobicContact CB-CD2 3.67Å
43	A	84	Confident	77.4	Confident	40 Å²	40	78.3 Å²	78.3	33%	0.331	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	36.8	176.7	0	0	0	0	0	112.5	P39 E40 R41 R45 K72	P39-A43 PolarHBondContact O-N 3.41Å; P39-A43 VanDerWaalsContact O-N 3.08Å; E40-A43 WeakPolarHBondContact O-CA 3.34Å; E40-A43 WeakPolarHBondContact O-CB 3.26Å; E40-A43 PolarHBondContact O-N 3.05Å; R41-A43 PolarHBondContact O-N 3.34Å; A43-R45 VanDerWaalsContact C-N 3.35Å; A43-K72 WeakPolarHBondContact O-CD 3.33Å; A43-K72 WeakPolarHBondContact O-CE 3.42Å; A43-K72 PolarHBondContact O-NZ 3.14Å
44	G	85.8	Confident	78.5	Confident	63 Å²	63	79.9 Å²	79.9	65%	0.649	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	14.6	-177.1	0	0	0	0	0	115.4	A42	A42-G44 PolarHBondContact O-N 3.24Å; A42-G44 VanDerWaalsContact O-N 3.13Å
45	R	89.8	Confident	79.4	Confident	58 Å²	58	80 Å²	80	22%	0.219	42%	0.419	C	S	.	.			trans	-78.7	150.9	166.3	-61.2	-175.8	-56.6	-81.4	-1.7	109.8	R41 A42 A43 I47 L68 R69 F70 K72	R41-R45 PolarHBondContact O-NH2 2.97Å; A42-R45 VanDerWaalsContact O-CB 3.25Å; A42-R45 WeakPolarHBondContact O-CB 3.4Å; A42-R45 VanDerWaalsContact O-CG 3.3Å; A42-R45 WeakPolarHBondContact O-CG 3.26Å; A42-R45 PolarHBondContact O-N 3.49Å; A42-R45 PolarHBondContact O-NH1 2.89Å; A43-R45 VanDerWaalsContact C-N 3.35Å; R45-I47 PolarHBondContact O-N 3.44Å; R45-L68 HydrophobicContact CB-CD2 4.34Å; R45-R69 VanDerWaalsContact CD-O 3.24Å; R45-R69 WeakPolarHBondContact CD-O 3.4Å; R45-R69 PolarHBondContact NE-O 3.26Å; R45-F70 WeakPolarHBondContact CD-O 3.37Å; R45-K72 HydrophobicContact CG-CG 3.77Å
46	E	89	Confident	80.2	Confident	67 Å²	67	75.1 Å²	75.1	31%	0.313	39%	0.392	S	S	.	.			trans	-68.6	130.6	177.7	-175.5	-176.1	-158.6	0	0	110.5	R69 R81	E46-R69 HydrophobicContact CB-CG 4.38Å; E46-R69 PolarHBondContact O-N 3.47Å; E46-R69 VanDerWaalsContact O-N 3.09Å; E46-R69 WeakPolarHBondContact OE2-CD 3.41Å; E46-R69 IonicContact OE2-CZ 3.15Å; E46-R69 IonicContact OE2-NE 3.38Å; E46-R69 IonicContact OE2-NH1 3.18Å; E46-R69 PolarHBondContact OE2-NH1 2.98Å; E46-R81 IonicContact OE1-NH1 2.95Å; E46-R81 IonicContact OE2-CZ 3.49Å; E46-R81 IonicContact OE2-NE 3.33Å; E46-R81 IonicContact OE2-NH1 3.29Å; E46-R81 PolarHBondContact OE2-NH1 2.92Å; E46-R81 IonicContact OE2-NH2 3.64Å
47	I	89	Confident	81.4	Confident	94 Å²	94	66.4 Å²	66.4	48%	0.482	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-83.2	114.7	169.6	-57.9	166.4	0	0	0	106.9	R45 L55 L68	R45-I47 PolarHBondContact O-N 3.44Å; I47-L55 HydrophobicContact CB-CD2 4.49Å; I47-L55 HydrophobicContact CD1-CD1 4.29Å; I47-L55 HydrophobicContact CD1-CD2 4.28Å; I47-L55 HydrophobicContact CG1-CD2 4.14Å; I47-L55 HydrophobicContact CG2-CD2 3.59Å; I47-L68 HydrophobicContact CB-CD2 4.42Å; I47-L68 HydrophobicContact CG1-CD2 3.69Å
48	V	88.3	Confident	82.1	Confident	56 Å²	56	62.2 Å²	62.2	34%	0.339	34%	0.343	S	S	.	.			trans	-97.7	-32.1	-175.5	-148.7	0	0	0	0	111.8	Y65 A67 R69	V48-Y65 WeakPolarHBondContact CB-OH 3.31Å; V48-Y65 HydrophobicContact CG1-CE2 4.39Å; V48-Y65 WeakPolarHBondContact CG1-OH 3.38Å; V48-Y65 PolarHBondContact O-OH 2.68Å; V48-A67 PolarHBondContact N-O 3.28Å; V48-R69 HydrophobicContact CG2-CB 4.41Å; V48-R69 HydrophobicContact CG2-CG 3.19Å
49	G	85.6	Confident	82.9	Confident	26 Å²	26	63.7 Å²	63.7	27%	0.268	35%	0.351	S	S	.	.	S	Bend	trans	-167.4	-166	-178.4	0	0	0	0	0	112.6	A67	G49-A67 PolarHBondContact N-O 3.04Å; G49-A67 WeakPolarHBondContact O-CA 3.41Å; G49-A67 WeakPolarHBondContact O-CB 3.15Å
50	H	83.3	Confident	83.5	Confident	144 Å²	144	64.7 Å²	64.7	67%	0.667	34%	0.343	S	S	*	.			trans	-81.9	-21	-174.8	-170.2	60.8	0	0	0	113.9	Y52 G53	H50-Y52 PolarHBondContact O-N 3.23Å; H50-G53 WeakPolarHBondContact NE2-CA 3.47Å; H50-G53 PolarHBondContact O-N 2.94Å
51	G	80.4	Confident	84	Confident	32 Å²	32	63.2 Å²	63.2	33%	0.33	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-122	-175.6	0	0	0	0	0	112.3
52	Y	78.7	Confident	84.6	Confident	144 Å²	144	62.8 Å²	62.8	57%	0.565	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	45.1	-178	-166.1	-105.9	0	0	0	111.4	H50 D54 H63	H50-Y52 PolarHBondContact O-N 3.23Å; Y52-D54 PolarHBondContact O-N 3.06Å; Y52-H63 AromaticContact CD2-CD2 3.44Å; Y52-H63 VanDerWaalsContact CD2-CD2 3.44Å; Y52-H63 WeakPolarHBondContact CD2-CD2 3.42Å; Y52-H63 AromaticContact CD2-NE2 3.29Å; Y52-H63 VanDerWaalsContact CD2-NE2 3.29Å; Y52-H63 WeakPolarHBondContact CD2-NE2 3.45Å; Y52-H63 AromaticContact CE2-CD2 3.98Å; Y52-H63 AromaticContact CE2-NE2 3.35Å; Y52-H63 VanDerWaalsContact CE2-NE2 3.35Å; Y52-H63 WeakPolarHBondContact CE2-NE2 3.37Å
53	G	77.3	Confident	84.9	Confident	37 Å²	37	65.5 Å²	65.5	38%	0.381	36%	0.356	S	S	.	.	S	Bend	trans	82.9	-34	-176.2	0	0	0	0	0	114.1	H50	H50-G53 WeakPolarHBondContact NE2-CA 3.47Å; H50-G53 PolarHBondContact O-N 2.94Å
54	D	75.9	Confident	85.1	Confident	37 Å²	37	67.1 Å²	67.1	20%	0.198	36%	0.363	C	S	.	.	S	Bend	trans	-102.8	149.1	-175.6	-59.3	-14.1	0	0	0	112.3	D34 Y52 E56 A67	D34-D54 WeakPolarHBondContact OD1-CA 3.4Å; Y52-D54 PolarHBondContact O-N 3.06Å; D54-E56 PolarHBondContact O-N 3.38Å; D54-A67 WeakPolarHBondContact O-CB 3.1Å
55	L	76.6	Confident	85.2	Confident	37 Å²	37	70 Å²	70	19%	0.194	36%	0.355	C	S	.	.	S	Bend	trans	-85.7	64.4	175.6	-73.4	170.6	0	0	0	110.4	D34 A38 I47 A67 L68	D34-L55 PolarHBondContact OD1-N 3.41Å; A38-L55 HydrophobicContact CB-CB 3.96Å; A38-L55 HydrophobicContact CB-CD1 3.28Å; A38-L55 HydrophobicContact CB-CG 4.17Å; I47-L55 HydrophobicContact CB-CD2 4.49Å; I47-L55 HydrophobicContact CD1-CD1 4.29Å; I47-L55 HydrophobicContact CD1-CD2 4.28Å; I47-L55 HydrophobicContact CG1-CD2 4.14Å; I47-L55 HydrophobicContact CG2-CD2 3.59Å; L55-A67 HydrophobicContact CD2-CB 4.13Å; L55-L68 VanDerWaalsContact O-CD1 3.24Å; L55-L68 WeakPolarHBondContact O-CD1 3.15Å
56	E	80.3	Confident	85.2	Confident	65 Å²	65	67.4 Å²	67.4	30%	0.304	35%	0.346	S	S	.	.			trans	-123.6	149.7	175.8	-171.4	168	-164.5	0	0	111.9	D54	D54-E56 PolarHBondContact O-N 3.38Å
57	Y	87.7	Confident	85.2	Confident	32 Å²	32	64.2 Å²	64.2	13%	0.125	33%	0.331	C	S	.	.			trans	-88.2	129.7	170.1	-179.5	-86.1	0	0	0	110	D59 P66 L68 F70 F104 R105	Y57-D59 WeakPolarHBondContact CE1-OD1 3.36Å; Y57-D59 VanDerWaalsContact CZ-OD1 3.29Å; Y57-D59 PolarHBondContact OH-OD1 2.98Å; Y57-P66 HydrophobicContact CD2-CB 4.25Å; Y57-P66 HydrophobicContact CD2-CG 3.98Å; Y57-P66 HydrophobicContact CE2-CB 4.44Å; Y57-P66 HydrophobicContact CE2-CG 3.74Å; Y57-L68 VanDerWaalsContact CD2-O 3.24Å; Y57-L68 WeakPolarHBondContact CD2-O 3.26Å; Y57-F70 HydrophobicContact CD1-CD2 4.32Å; Y57-F70 HydrophobicContact CD2-CB 4.12Å; Y57-F70 HydrophobicContact CE1-CB 4.39Å; Y57-F70 HydrophobicContact CE1-CD2 4.06Å; Y57-F70 HydrophobicContact CE2-CB 3.53Å; Y57-F104 VanDerWaalsContact OH-CA 3.25Å; Y57-F104 WeakPolarHBondContact OH-CA 3.48Å; Y57-R105 HydrophobicContact CE1-CB 4Å; Y57-R105 PolarHBondContact OH-N 3.48Å
58	F	88.3	Confident	85.2	Confident	39 Å²	39	59.8 Å²	59.8	17%	0.171	31%	0.308	C	S	.	.			trans	-140.6	146.6	174.1	54	-98.4	0	0	0	111.8	R60 H63 P66	F58-R60 HydrophobicContact CB-CG 4.36Å; F58-R60 HydrophobicContact CD2-CB 3.87Å; F58-R60 HydrophobicContact CD2-CG 3.89Å; F58-R60 HydrophobicContact CE2-CB 4.41Å; F58-R60 HydrophobicContact CG-CG 4.46Å; F58-H63 HydrophobicContact CD2-CB 4.46Å; F58-H63 HydrophobicContact CE2-CB 3.51Å; F58-H63 WeakPolarHBondContact CE2-O 3.3Å; F58-H63 HydrophobicContact CZ-CB 4.13Å; F58-P66 HydrophobicContact CD1-CB 4.4Å; F58-P66 HydrophobicContact CD2-CB 4.37Å; F58-P66 HydrophobicContact CE1-CB 4.34Å; F58-P66 HydrophobicContact CE2-CB 4.28Å; F58-P66 HydrophobicContact CG-CB 4.43Å; F58-P66 HydrophobicContact CZ-CB 4.28Å
59	D	88.6	Confident	85.4	Confident	37 Å²	37	58 Å²	58	20%	0.198	30%	0.295	C	S	.	.			trans	-104.7	93.1	171.3	-65	-53.7	0	0	0	108.5	Y57 R105 M106 M111	Y57-D59 WeakPolarHBondContact CE1-OD1 3.36Å; Y57-D59 VanDerWaalsContact CZ-OD1 3.29Å; Y57-D59 PolarHBondContact OH-OD1 2.98Å; D59-R105 WeakPolarHBondContact OD2-CB 3.45Å; D59-M106 HydrophobicContact CB-CE 3.51Å; D59-M106 WeakPolarHBondContact OD2-CE 3.43Å; D59-M111 VanDerWaalsContact C-CE 3.42Å; D59-M111 HydrophobicContact CB-CE 4.23Å; D59-M111 HydrophobicContact CB-SD 4.16Å; D59-M111 WeakPolarHBondContact O-CE 3.46Å
60	R	87.6	Confident	85.7	Confident	112 Å²	112	60 Å²	60	42%	0.423	30%	0.297	S	S	.	.			trans	-125.5	144.4	-176.6	-77.1	-171.2	70.7	145.3	-2.7	112	F58 D62 H63 M111	F58-R60 HydrophobicContact CB-CG 4.36Å; F58-R60 HydrophobicContact CD2-CB 3.87Å; F58-R60 HydrophobicContact CD2-CG 3.89Å; F58-R60 HydrophobicContact CE2-CB 4.41Å; F58-R60 HydrophobicContact CG-CG 4.46Å; R60-D62 WeakPolarHBondContact CB-OD1 3.31Å; R60-D62 IonicContact CZ-OD1 3.4Å; R60-D62 IonicContact CZ-OD2 3.64Å; R60-D62 IonicContact NE-OD1 3.74Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.91Å; R60-D62 PolarHBondContact NE-OD2 2.95Å; R60-D62 IonicContact NH2-OD1 2.72Å; R60-D62 PolarHBondContact NH2-OD1 2.88Å; R60-D62 IonicContact NH2-OD2 3.71Å; R60-D62 PolarHBondContact NH2-OD2 2.97Å; R60-H63 HydrophobicContact CB-CB 4.37Å; R60-H63 CarbonylContact O-C 3.52Å; R60-M111 VanDerWaalsContact C-CE 3.41Å
61	L	89.3	Confident	86	Confident	108 Å²	108	58.9 Å²	58.9	57%	0.565	29%	0.286	S	S	*	.	S	Bend	trans	-76.8	-36.1	-176.8	-147	80.1	0	0	0	111.7	F108 M111 V112	L61-F108 HydrophobicContact CD1-CD1 3.77Å; L61-F108 HydrophobicContact CD1-CE1 4.21Å; L61-M111 HydrophobicContact CD1-CE 4.14Å; L61-V112 HydrophobicContact CD1-CG2 3.88Å; L61-V112 HydrophobicContact CD2-CG2 4.47Å
62	D	89.6	Confident	86.5	Confident	87 Å²	87	63 Å²	63	47%	0.465	30%	0.295	S	S	.	.	S	Bend	trans	-73.9	-28.9	176.9	51.9	-38	0	0	0	112.5	R60	R60-D62 WeakPolarHBondContact CB-OD1 3.31Å; R60-D62 IonicContact CZ-OD1 3.4Å; R60-D62 IonicContact CZ-OD2 3.64Å; R60-D62 IonicContact NE-OD1 3.74Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.91Å; R60-D62 PolarHBondContact NE-OD2 2.95Å; R60-D62 IonicContact NH2-OD1 2.72Å; R60-D62 PolarHBondContact NH2-OD1 2.88Å; R60-D62 IonicContact NH2-OD2 3.71Å; R60-D62 PolarHBondContact NH2-OD2 2.97Å
63	H	88.2	Confident	86.9	Confident	61 Å²	61	59.6 Å²	59.6	28%	0.282	28%	0.284	S	S	.	.			trans	-126.9	82.5	-179	-61.2	-2.6	0	0	0	108.7	Y52 F58 R60 Y65	Y52-H63 AromaticContact CD2-CD2 3.44Å; Y52-H63 VanDerWaalsContact CD2-CD2 3.44Å; Y52-H63 WeakPolarHBondContact CD2-CD2 3.42Å; Y52-H63 AromaticContact CD2-NE2 3.29Å; Y52-H63 VanDerWaalsContact CD2-NE2 3.29Å; Y52-H63 WeakPolarHBondContact CD2-NE2 3.45Å; Y52-H63 AromaticContact CE2-CD2 3.98Å; Y52-H63 AromaticContact CE2-NE2 3.35Å; Y52-H63 VanDerWaalsContact CE2-NE2 3.35Å; Y52-H63 WeakPolarHBondContact CE2-NE2 3.37Å; F58-H63 HydrophobicContact CD2-CB 4.46Å; F58-H63 HydrophobicContact CE2-CB 3.51Å; F58-H63 WeakPolarHBondContact CE2-O 3.3Å; F58-H63 HydrophobicContact CZ-CB 4.13Å; R60-H63 HydrophobicContact CB-CB 4.37Å; R60-H63 CarbonylContact O-C 3.52Å; H63-Y65 PolarHBondContact O-N 3.49Å; H63-Y65 VanDerWaalsContact O-N 3.14Å
64	P	87.6	Confident	87.5	Confident	73 Å²	73	61.6 Å²	61.6	47%	0.474	29%	0.286	S	S	.	.			trans	-70.9	-8.2	-174	29.6	-37.1	0	0	0	113.6	F104 F108	P64-F104 WeakPolarHBondContact O-CE1 3.45Å; P64-F108 HydrophobicContact CB-CE1 4.34Å; P64-F108 HydrophobicContact CB-CZ 3.76Å
65	Y	88.5	Confident	88.2	Confident	123 Å²	123	65.9 Å²	65.9	48%	0.482	31%	0.309	S	S	.	.	S	Bend	trans	-122.8	98.8	-174.8	-170.2	-101	0	0	0	111.3	V48 H63	V48-Y65 WeakPolarHBondContact CB-OH 3.31Å; V48-Y65 HydrophobicContact CG1-CE2 4.39Å; V48-Y65 WeakPolarHBondContact CG1-OH 3.38Å; V48-Y65 PolarHBondContact O-OH 2.68Å; H63-Y65 PolarHBondContact O-N 3.49Å; H63-Y65 VanDerWaalsContact O-N 3.14Å
66	P	89.4	Confident	88.7	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.032	33%	0.328	C	S	.	.			trans	-76.1	161.9	177.6	30.1	-31.8	0	0	0	112.4	Y57 F58 L68 F104	Y57-P66 HydrophobicContact CD2-CB 4.25Å; Y57-P66 HydrophobicContact CD2-CG 3.98Å; Y57-P66 HydrophobicContact CE2-CB 4.44Å; Y57-P66 HydrophobicContact CE2-CG 3.74Å; F58-P66 HydrophobicContact CD1-CB 4.4Å; F58-P66 HydrophobicContact CD2-CB 4.37Å; F58-P66 HydrophobicContact CE1-CB 4.34Å; F58-P66 HydrophobicContact CE2-CB 4.28Å; F58-P66 HydrophobicContact CG-CB 4.43Å; F58-P66 HydrophobicContact CZ-CB 4.28Å; P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 WeakPolarHBondContact CG-O 3.45Å; P66-L68 PolarHBondContact O-N 3.25Å; P66-F104 HydrophobicContact CG-CE1 4.29Å
67	A	88.2	Confident	89.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-66.8	-33.4	178.8	0	0	0	0	0	112.9	V48 G49 D54 L55	V48-A67 PolarHBondContact N-O 3.28Å; G49-A67 PolarHBondContact N-O 3.04Å; G49-A67 WeakPolarHBondContact O-CA 3.41Å; G49-A67 WeakPolarHBondContact O-CB 3.15Å; D54-A67 WeakPolarHBondContact O-CB 3.1Å; L55-A67 HydrophobicContact CD2-CB 4.13Å
68	L	89.9	Confident	89.6	Confident	1 Å²	1	70 Å²	70	1%	0.005	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-110.6	154.7	-178.8	-72.1	166.8	0	0	0	111.1	A42 R45 I47 L55 Y57 P66	A42-L68 HydrophobicContact CB-CD1 4.22Å; A42-L68 HydrophobicContact CB-CD2 3.67Å; R45-L68 HydrophobicContact CB-CD2 4.34Å; I47-L68 HydrophobicContact CB-CD2 4.42Å; I47-L68 HydrophobicContact CG1-CD2 3.69Å; L55-L68 VanDerWaalsContact O-CD1 3.24Å; L55-L68 WeakPolarHBondContact O-CD1 3.15Å; Y57-L68 VanDerWaalsContact CD2-O 3.24Å; Y57-L68 WeakPolarHBondContact CD2-O 3.26Å; P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 WeakPolarHBondContact CG-O 3.45Å; P66-L68 PolarHBondContact O-N 3.25Å
69	R	91.8	Very high	89.8	Confident	18 Å²	18	71 Å²	71	7%	0.068	34%	0.343	C	S	.	.			trans	-76.7	156.3	163.3	-58.4	-177.5	88.5	145.2	2.3	110.7	R45 E46 V48 R81 E84 S103	R45-R69 VanDerWaalsContact CD-O 3.24Å; R45-R69 WeakPolarHBondContact CD-O 3.4Å; R45-R69 PolarHBondContact NE-O 3.26Å; E46-R69 HydrophobicContact CB-CG 4.38Å; E46-R69 PolarHBondContact O-N 3.47Å; E46-R69 VanDerWaalsContact O-N 3.09Å; E46-R69 WeakPolarHBondContact OE2-CD 3.41Å; E46-R69 IonicContact OE2-CZ 3.15Å; E46-R69 IonicContact OE2-NE 3.38Å; E46-R69 IonicContact OE2-NH1 3.18Å; E46-R69 PolarHBondContact OE2-NH1 2.98Å; V48-R69 HydrophobicContact CG2-CB 4.41Å; V48-R69 HydrophobicContact CG2-CG 3.19Å; R69-R81 VanDerWaalsContact CZ-NH2 3.26Å; R69-R81 VanDerWaalsContact NH1-NE 3.19Å; R69-E84 IonicContact NH2-OE1 3.61Å; R69-E84 IonicContact NH2-OE2 3.12Å; R69-S103 PolarHBondContact NE-OG 3.47Å; R69-S103 PolarHBondContact NH2-OG 2.83Å
70	F	91.6	Very high	90.1	Very high	68 Å²	68	70.1 Å²	70.1	30%	0.298	34%	0.338	S	S	.	.	S	Bend	trans	-67.9	-51.1	178.7	175.6	-123.7	0	0	0	112.7	R45 Y57 S103 R105	R45-F70 WeakPolarHBondContact CD-O 3.37Å; Y57-F70 HydrophobicContact CD1-CD2 4.32Å; Y57-F70 HydrophobicContact CD2-CB 4.12Å; Y57-F70 HydrophobicContact CE1-CB 4.39Å; Y57-F70 HydrophobicContact CE1-CD2 4.06Å; Y57-F70 HydrophobicContact CE2-CB 3.53Å; F70-S103 VanDerWaalsContact CB-O 3.28Å; F70-S103 WeakPolarHBondContact CB-O 3.33Å; F70-S103 PolarHBondContact N-O 3.37Å; F70-R105 HydrophobicContact CB-CB 4.47Å; F70-R105 HydrophobicContact CD1-CB 3.9Å; F70-R105 HydrophobicContact CD1-CG 4.48Å; F70-R105 HydrophobicContact CD2-CB 3.55Å; F70-R105 HydrophobicContact CD2-CG 4.1Å; F70-R105 HydrophobicContact CE1-CB 4Å; F70-R105 HydrophobicContact CE1-CG 4.07Å; F70-R105 HydrophobicContact CE2-CB 3.64Å; F70-R105 HydrophobicContact CE2-CG 3.64Å; F70-R105 HydrophobicContact CG-CB 3.69Å; F70-R105 HydrophobicContact CZ-CB 3.88Å; F70-R105 HydrophobicContact CZ-CG 3.63Å
71	R	90.9	Very high	90.3	Very high	120 Å²	120	65.6 Å²	65.6	45%	0.453	32%	0.321	S	S	.	.	S	Bend	trans	-96.6	151.4	-179.2	-63	-167.5	-177.7	179.1	-1.2	112.1	A102	R71-A102 PolarHBondContact N-O 3.17Å; R71-A102 VanDerWaalsContact N-O 3.1Å
72	K	90.5	Very high	90.5	Very high	118 Å²	118	66.3 Å²	66.3	51%	0.513	32%	0.324	S	S	.	.			trans	-66.8	160.6	164.6	-59.9	-169.4	-163.4	-161.6	0	109.4	A43 R45 D74	A43-K72 WeakPolarHBondContact O-CD 3.33Å; A43-K72 WeakPolarHBondContact O-CE 3.42Å; A43-K72 PolarHBondContact O-NZ 3.14Å; R45-K72 HydrophobicContact CG-CG 3.77Å; K72-D74 PolarHBondContact O-N 2.88Å; K72-D74 VanDerWaalsContact O-N 3.12Å
73	E	86.9	Confident	90.7	Very high	73 Å²	73	67.1 Å²	67.1	34%	0.341	32%	0.323	S	S	.	.			trans	-66.5	110.2	173	-76.8	-164.1	172.3	0	0	111.2	R78 R81	E73-R78 IonicContact OE2-CZ 2.63Å; E73-R78 IonicContact OE2-NE 2.62Å; E73-R78 PolarHBondContact OE2-NE 3.47Å; E73-R78 IonicContact OE2-NH2 3.97Å; E73-R78 PolarHBondContact OE2-NH2 3.07Å; E73-R78 VanDerWaalsContact OE2-NH2 3.15Å; E73-R81 VanDerWaalsContact CD-NH1 3.26Å; E73-R81 IonicContact OE1-CZ 2.95Å; E73-R81 IonicContact OE1-NH1 2.78Å; E73-R81 PolarHBondContact OE1-NH1 3.44Å
74	D	89.1	Confident	90.9	Very high	79 Å²	79	66.4 Å²	66.4	42%	0.422	32%	0.32	S	S	.	.			trans	-89.6	155	164.3	-61.8	-36.3	0	0	0	109.9	K72 T76 I77 R78	K72-D74 PolarHBondContact O-N 2.88Å; K72-D74 VanDerWaalsContact O-N 3.12Å; D74-T76 PolarHBondContact O-N 3.48Å; D74-I77 HydrophobicContact CB-CG1 4.42Å; D74-I77 PolarHBondContact O-N 3.19Å; D74-I77 VanDerWaalsContact O-N 3.11Å; D74-R78 PolarHBondContact O-N 3.26Å
75	D	90.7	Very high	91.2	Very high	127 Å²	127	71.6 Å²	71.6	68%	0.679	34%	0.335	S	S	*	.	H	α-helix	trans	-58.8	-34.1	-178.7	-70	-30.9	0	0	0	113	R78 S79	D75-R78 IonicContact OD1-NH1 3.74Å; D75-R78 PolarHBondContact OD1-NH1 2.85Å; D75-S79 PolarHBondContact O-N 2.89Å
76	T	88.6	Confident	91.5	Very high	97 Å²	97	68 Å²	68	60%	0.595	34%	0.335	S	S	*	.	H	α-helix	trans	-66	-47.2	176.1	56.7	0	0	0	0	111.4	D74 R78 S79 L80	D74-T76 PolarHBondContact O-N 3.48Å; T76-R78 VanDerWaalsContact C-N 3.35Å; T76-S79 PolarHBondContact O-N 3.2Å; T76-S79 PolarHBondContact O-OG 3.22Å; T76-L80 PolarHBondContact O-N 2.83Å
77	I	92.7	Very high	91.8	Very high	13 Å²	13	72.5 Å²	72.5	7%	0.067	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-34	179.6	-59.5	-56.7	0	0	0	111.2	D74 S79 L80 R81 A102	D74-I77 HydrophobicContact CB-CG1 4.42Å; D74-I77 PolarHBondContact O-N 3.19Å; D74-I77 VanDerWaalsContact O-N 3.11Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.84Å; I77-L80 HydrophobicContact CD1-CD1 4.36Å; I77-L80 PolarHBondContact O-N 3.27Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-R81 WeakPolarHBondContact O-CB 3.45Å; I77-R81 PolarHBondContact O-N 3.39Å; I77-A102 HydrophobicContact CD1-CB 3.77Å; I77-A102 HydrophobicContact CG1-CB 3.99Å; I77-A102 HydrophobicContact CG2-CB 3.97Å
78	R	93.1	Very high	92.1	Very high	112 Å²	112	79.1 Å²	79.1	42%	0.423	38%	0.384	S	S	.	.	H	α-helix	trans	-58.1	-43.1	176	-176.4	177.7	-71.9	149.3	-2.5	111.6	E73 D74 D75 T76 L80 R81 I82	E73-R78 IonicContact OE2-CZ 2.63Å; E73-R78 IonicContact OE2-NE 2.62Å; E73-R78 PolarHBondContact OE2-NE 3.47Å; E73-R78 IonicContact OE2-NH2 3.97Å; E73-R78 PolarHBondContact OE2-NH2 3.07Å; E73-R78 VanDerWaalsContact OE2-NH2 3.15Å; D74-R78 PolarHBondContact O-N 3.26Å; D75-R78 IonicContact OD1-NH1 3.74Å; D75-R78 PolarHBondContact OD1-NH1 2.85Å; T76-R78 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 2.97Å; R78-R81 WeakPolarHBondContact O-CB 3.44Å; R78-R81 PolarHBondContact O-N 3.31Å; R78-I82 WeakPolarHBondContact O-CG1 3.44Å; R78-I82 PolarHBondContact O-N 3.34Å; R78-I82 VanDerWaalsContact O-N 3.16Å
79	S	92.2	Very high	92.3	Very high	59 Å²	59	83 Å²	83	41%	0.413	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-41.5	176	75.8	0	0	0	0	112.4	D75 T76 I77 R81 I82 K83	D75-S79 PolarHBondContact O-N 2.89Å; T76-S79 PolarHBondContact O-N 3.2Å; T76-S79 PolarHBondContact O-OG 3.22Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.84Å; S79-R81 VanDerWaalsContact C-N 3.3Å; S79-R81 PolarHBondContact O-N 3.02Å; S79-I82 PolarHBondContact O-N 2.97Å; S79-K83 PolarHBondContact O-N 3.37Å
80	L	94.6	Very high	92.4	Very high	19 Å²	19	88.9 Å²	88.9	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-67.1	-31.3	176.4	-62.2	-177.5	0	0	0	112.2	T76 I77 R78 K83 E84 E95 A98 L99	T76-L80 PolarHBondContact O-N 2.83Å; I77-L80 HydrophobicContact CD1-CD1 4.36Å; I77-L80 PolarHBondContact O-N 3.27Å; I77-L80 VanDerWaalsContact O-N 3.16Å; R78-L80 PolarHBondContact O-N 2.97Å; L80-K83 HydrophobicContact CD2-CD 4.45Å; L80-K83 CarbonylContact O-C 3.56Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.35Å; L80-E84 WeakPolarHBondContact O-CB 3.23Å; L80-E84 PolarHBondContact O-N 3.4Å; L80-E95 HydrophobicContact CD2-CB 4.05Å; L80-E95 HydrophobicContact CD2-CG 3.65Å; L80-E95 WeakPolarHBondContact CD2-OE1 3.34Å; L80-A98 HydrophobicContact CD1-CB 4.05Å; L80-L99 HydrophobicContact CB-CD2 3.79Å; L80-L99 HydrophobicContact CB-CG 4.12Å
81	R	92.8	Very high	92.5	Very high	17 Å²	17	86.1 Å²	86.1	6%	0.064	43%	0.432	C	S	.	.	H	α-helix	trans	-70.3	-34.7	177.1	-169.2	167.5	-60.9	175.3	-1	112.9	E46 R69 E73 I77 R78 S79 K83 E84 K85	E46-R81 IonicContact OE1-NH1 2.95Å; E46-R81 IonicContact OE2-CZ 3.49Å; E46-R81 IonicContact OE2-NE 3.33Å; E46-R81 IonicContact OE2-NH1 3.29Å; E46-R81 PolarHBondContact OE2-NH1 2.92Å; E46-R81 IonicContact OE2-NH2 3.64Å; R69-R81 VanDerWaalsContact CZ-NH2 3.26Å; R69-R81 VanDerWaalsContact NH1-NE 3.19Å; E73-R81 VanDerWaalsContact CD-NH1 3.26Å; E73-R81 IonicContact OE1-CZ 2.95Å; E73-R81 IonicContact OE1-NH1 2.78Å; E73-R81 PolarHBondContact OE1-NH1 3.44Å; I77-R81 WeakPolarHBondContact O-CB 3.45Å; I77-R81 PolarHBondContact O-N 3.39Å; R78-R81 WeakPolarHBondContact O-CB 3.44Å; R78-R81 PolarHBondContact O-N 3.31Å; S79-R81 VanDerWaalsContact C-N 3.3Å; S79-R81 PolarHBondContact O-N 3.02Å; R81-K83 VanDerWaalsContact C-N 3.3Å; R81-E84 WeakPolarHBondContact O-CB 3.39Å; R81-E84 PolarHBondContact O-N 3.45Å; R81-K85 PolarHBondContact O-N 3.28Å
82	I	93.8	Very high	92.8	Very high	122 Å²	122	84 Å²	84	63%	0.626	43%	0.432	S	S	*	.	H	α-helix	trans	-64	-42.1	171.7	-64.1	166.8	0	0	0	109.4	R78 S79 K85	R78-I82 WeakPolarHBondContact O-CG1 3.44Å; R78-I82 PolarHBondContact O-N 3.34Å; R78-I82 VanDerWaalsContact O-N 3.16Å; S79-I82 PolarHBondContact O-N 2.97Å; I82-K85 PolarHBondContact O-N 3.4Å
83	K	93.4	Very high	93	Very high	104 Å²	104	84.2 Å²	84.2	45%	0.452	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-38.3	173.7	-61.8	-176	-173.5	-176.8	0	112.7	S79 L80 R81 K85 G86 L91 E95	S79-K83 PolarHBondContact O-N 3.37Å; L80-K83 HydrophobicContact CD2-CD 4.45Å; L80-K83 CarbonylContact O-C 3.56Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.35Å; R81-K83 VanDerWaalsContact C-N 3.3Å; K83-K85 PolarHBondContact O-N 3.5Å; K83-G86 WeakPolarHBondContact O-CA 3.44Å; K83-G86 PolarHBondContact O-N 2.93Å; K83-L91 HydrophobicContact CB-CD1 4.35Å; K83-L91 HydrophobicContact CB-CD2 4.47Å; K83-L91 HydrophobicContact CB-CG 4.42Å; K83-E95 IonicContact NZ-OE1 2.75Å; K83-E95 PolarHBondContact NZ-OE1 3.41Å
84	E	92.7	Very high	93.4	Very high	46 Å²	46	88.6 Å²	88.6	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-58.5	-31.3	178.8	-175.2	-175.5	-173.1	0	0	112.2	R69 L80 R81 G86 W88 L99	R69-E84 IonicContact NH2-OE1 3.61Å; R69-E84 IonicContact NH2-OE2 3.12Å; L80-E84 WeakPolarHBondContact O-CB 3.23Å; L80-E84 PolarHBondContact O-N 3.4Å; R81-E84 WeakPolarHBondContact O-CB 3.39Å; R81-E84 PolarHBondContact O-N 3.45Å; E84-G86 PolarHBondContact O-N 3.2Å; E84-W88 HydrophobicContact CG-CZ2 3.81Å; E84-W88 PolarHBondContact O-NE1 3Å; E84-L99 HydrophobicContact CB-CD1 4.05Å; E84-L99 HydrophobicContact CG-CD1 4.16Å
85	K	93.7	Very high	93.8	Very high	182 Å²	182	86.4 Å²	86.4	79%	0.791	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.1	175	-68.5	177.2	-178.8	-176.8	0	113.5	R81 I82 K83	R81-K85 PolarHBondContact O-N 3.28Å; I82-K85 PolarHBondContact O-N 3.4Å; K83-K85 PolarHBondContact O-N 3.5Å
86	G	94.2	Very high	94	Very high	47 Å²	47	83.4 Å²	83.4	49%	0.485	43%	0.426	S	S	.	.	S	Bend	trans	-92.1	-154.4	177.6	0	0	0	0	0	112.9	K83 E84	K83-G86 WeakPolarHBondContact O-CA 3.44Å; K83-G86 PolarHBondContact O-N 2.93Å; E84-G86 PolarHBondContact O-N 3.2Å
87	D	95.4	Very high	94.3	Very high	100 Å²	100	84.6 Å²	84.6	54%	0.535	42%	0.424	S	S	.	.			trans	-75.4	125.2	178.2	-174.4	6.3	0	0	0	111.9	S89 L90	D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 PolarHBondContact OD1-N 3.4Å; D87-S89 PolarHBondContact OD1-OG 2.95Å; D87-S89 WeakPolarHBondContact OD2-CB 3.23Å; D87-S89 PolarHBondContact OD2-OG 3.48Å; D87-L90 HydrophobicContact CB-CD1 4.34Å; D87-L90 HydrophobicContact CB-CG 4.46Å; D87-L90 PolarHBondContact O-N 3.04Å
88	W	94.9	Very high	94.4	Very high	139 Å²	139	85.8 Å²	85.8	53%	0.527	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-72.7	-13.6	179.8	-76.1	34.8	0	0	0	113.5	E84 L90 L91 K96	E84-W88 HydrophobicContact CG-CZ2 3.81Å; E84-W88 PolarHBondContact O-NE1 3Å; W88-L90 PolarHBondContact O-N 3.26Å; W88-L91 PolarHBondContact O-N 3.42Å; W88-K96 WeakPolarHBondContact O-CE 3.45Å; W88-K96 PolarHBondContact O-NZ 2.98Å
89	S	94.2	Very high	94.4	Very high	84 Å²	84	81 Å²	81	59%	0.587	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-63.5	-29.5	172.8	79.9	0	0	0	0	112.1	D87	D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 PolarHBondContact OD1-N 3.4Å; D87-S89 PolarHBondContact OD1-OG 2.95Å; D87-S89 WeakPolarHBondContact OD2-CB 3.23Å; D87-S89 PolarHBondContact OD2-OG 3.48Å
90	L	94.1	Very high	94.5	Very high	141 Å²	141	81.7 Å²	81.7	74%	0.738	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-81.3	-15.5	-178.7	-60.7	173.9	0	0	0	113.5	D87 W88	D87-L90 HydrophobicContact CB-CD1 4.34Å; D87-L90 HydrophobicContact CB-CG 4.46Å; D87-L90 PolarHBondContact O-N 3.04Å; W88-L90 PolarHBondContact O-N 3.26Å
91	L	94.2	Very high	94.4	Very high	9 Å²	9	85.8 Å²	85.8	5%	0.047	43%	0.427	C	S	.	.	S	Bend	trans	-81.9	131	177	-77.3	97.6	0	0	0	110.9	K83 W88 E95 K96 L99	K83-L91 HydrophobicContact CB-CD1 4.35Å; K83-L91 HydrophobicContact CB-CD2 4.47Å; K83-L91 HydrophobicContact CB-CG 4.42Å; W88-L91 PolarHBondContact O-N 3.42Å; L91-E95 HydrophobicContact CD2-CB 4.22Å; L91-K96 HydrophobicContact CB-CG 4.1Å; L91-K96 WeakPolarHBondContact O-CE 3.41Å; L91-K96 PolarHBondContact O-NZ 3.4Å; L91-L99 HydrophobicContact CD2-CD1 3.6Å
92	T	96.1	Very high	94.4	Very high	75 Å²	75	85.1 Å²	85.1	46%	0.46	43%	0.425	S	S	.	.			trans	-66.2	158.1	172.2	61.8	0	0	0	0	111	E94 E95 K96	T92-E94 PolarHBondContact O-N 3.12Å; T92-E95 PolarHBondContact N-OE2 3.38Å; T92-E95 PolarHBondContact O-N 3.07Å; T92-E95 VanDerWaalsContact OG1-CD 3.32Å; T92-E95 WeakPolarHBondContact OG1-CG 3.47Å; T92-E95 PolarHBondContact OG1-N 2.95Å; T92-E95 PolarHBondContact OG1-OE2 2.8Å; T92-K96 WeakPolarHBondContact O-CG 3.23Å; T92-K96 PolarHBondContact O-N 2.69Å; T92-K96 VanDerWaalsContact O-N 3.08Å
93	M	96.2	Very high	94.3	Very high	123 Å²	123	80.1 Å²	80.1	61%	0.606	40%	0.4	S	S	*	.	H	α-helix	trans	-60.5	-34.7	177.9	-69.7	-57.4	-62.2	0	0	112.4	K96 H97	M93-K96 PolarHBondContact O-N 3.44Å; M93-K96 HydrophobicContact SD-CD 4.22Å; M93-H97 PolarHBondContact O-CD2 3.38Å; M93-H97 PolarHBondContact O-N 3.44Å
94	E	95.7	Very high	94.3	Very high	165 Å²	165	77.3 Å²	77.3	77%	0.771	39%	0.389	S	S	*	.	H	α-helix	trans	-66.9	-42.4	177.2	-62.1	-175.6	171.2	0	0	111.9	T92 K96 H97 A98	T92-E94 PolarHBondContact O-N 3.12Å; E94-K96 VanDerWaalsContact C-N 3.35Å; E94-K96 PolarHBondContact O-N 3.23Å; E94-H97 PolarHBondContact O-N 2.93Å; E94-A98 WeakPolarHBondContact O-CB 3.5Å; E94-A98 PolarHBondContact O-N 3.08Å
95	E	95.7	Very high	94.3	Very high	34 Å²	34	81.5 Å²	81.5	16%	0.159	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175.5	-71.1	170	131.5	0	0	111.7	L80 K83 L91 T92 A98 L99	L80-E95 HydrophobicContact CD2-CB 4.05Å; L80-E95 HydrophobicContact CD2-CG 3.65Å; L80-E95 WeakPolarHBondContact CD2-OE1 3.34Å; K83-E95 IonicContact NZ-OE1 2.75Å; K83-E95 PolarHBondContact NZ-OE1 3.41Å; L91-E95 HydrophobicContact CD2-CB 4.22Å; T92-E95 PolarHBondContact N-OE2 3.38Å; T92-E95 PolarHBondContact O-N 3.07Å; T92-E95 VanDerWaalsContact OG1-CD 3.32Å; T92-E95 WeakPolarHBondContact OG1-CG 3.47Å; T92-E95 PolarHBondContact OG1-N 2.95Å; T92-E95 PolarHBondContact OG1-OE2 2.8Å; E95-A98 PolarHBondContact O-N 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.37Å; E95-L99 PolarHBondContact O-N 3.35Å
96	K	96.1	Very high	94.1	Very high	64 Å²	64	75.8 Å²	75.8	28%	0.278	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-43.7	173.9	-70.3	171	-179.1	164.5	0	111.7	W88 L91 T92 M93 E94 A98 L99 Y100	W88-K96 WeakPolarHBondContact O-CE 3.45Å; W88-K96 PolarHBondContact O-NZ 2.98Å; L91-K96 HydrophobicContact CB-CG 4.1Å; L91-K96 WeakPolarHBondContact O-CE 3.41Å; L91-K96 PolarHBondContact O-NZ 3.4Å; T92-K96 WeakPolarHBondContact O-CG 3.23Å; T92-K96 PolarHBondContact O-N 2.69Å; T92-K96 VanDerWaalsContact O-N 3.08Å; M93-K96 PolarHBondContact O-N 3.44Å; M93-K96 HydrophobicContact SD-CD 4.22Å; E94-K96 VanDerWaalsContact C-N 3.35Å; E94-K96 PolarHBondContact O-N 3.23Å; K96-A98 VanDerWaalsContact C-N 3.33Å; K96-A98 PolarHBondContact O-N 3.09Å; K96-L99 PolarHBondContact O-N 2.85Å; K96-Y100 PolarHBondContact O-N 2.97Å
97	H	94.4	Very high	94	Very high	121 Å²	121	74.6 Å²	74.6	56%	0.56	36%	0.364	S	S	*	.	H	α-helix	trans	-64.8	-38.6	176.5	-75.4	-154	0	0	0	111.7	M93 E94 Y100 R101	M93-H97 PolarHBondContact O-CD2 3.38Å; M93-H97 PolarHBondContact O-N 3.44Å; E94-H97 PolarHBondContact O-N 2.93Å; H97-Y100 PolarHBondContact O-N 2.98Å; H97-R101 WeakPolarHBondContact O-CG 3.48Å; H97-R101 PolarHBondContact O-N 3.01Å
98	A	93.9	Very high	93.8	Very high	38 Å²	38	74.4 Å²	74.4	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-44.2	175.5	0	0	0	0	0	111.8	L80 E94 E95 K96 Y100 R101 A102	L80-A98 HydrophobicContact CD1-CB 4.05Å; E94-A98 WeakPolarHBondContact O-CB 3.5Å; E94-A98 PolarHBondContact O-N 3.08Å; E95-A98 PolarHBondContact O-N 3.22Å; K96-A98 VanDerWaalsContact C-N 3.33Å; K96-A98 PolarHBondContact O-N 3.09Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 2.86Å; A98-R101 PolarHBondContact O-N 2.77Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.07Å
99	L	94.5	Very high	93.6	Very high	11 Å²	11	71.7 Å²	71.7	6%	0.058	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-43.9	173.6	-77.2	171.4	0	0	0	111.7	L80 E84 L91 E95 K96 A102 S103	L80-L99 HydrophobicContact CB-CD2 3.79Å; L80-L99 HydrophobicContact CB-CG 4.12Å; E84-L99 HydrophobicContact CB-CD1 4.05Å; E84-L99 HydrophobicContact CG-CD1 4.16Å; L91-L99 HydrophobicContact CD2-CD1 3.6Å; E95-L99 WeakPolarHBondContact O-CG 3.37Å; E95-L99 PolarHBondContact O-N 3.35Å; K96-L99 PolarHBondContact O-N 2.85Å; L99-A102 PolarHBondContact O-N 3.42Å; L99-S103 PolarHBondContact O-N 2.9Å; L99-S103 PolarHBondContact O-OG 3.35Å; L99-S103 VanDerWaalsContact O-OG 3.12Å
100	Y	93.5	Very high	93.5	Very high	75 Å²	75	71.7 Å²	71.7	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-49	177.1	-177.8	-94.9	0	0	0	112.1	K96 H97 A98 A102 S103 F104	K96-Y100 PolarHBondContact O-N 2.97Å; H97-Y100 PolarHBondContact O-N 2.98Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 2.86Å; Y100-A102 VanDerWaalsContact C-N 3.25Å; Y100-A102 PolarHBondContact O-N 3.01Å; Y100-S103 PolarHBondContact O-N 3.31Å; Y100-F104 AromaticContact CD2-CD2 3.62Å; Y100-F104 HydrophobicContact CD2-CD2 3.62Å; Y100-F104 HydrophobicContact CD2-CE2 4.04Å; Y100-F104 AromaticContact CE2-CD2 3.48Å; Y100-F104 HydrophobicContact CE2-CD2 3.48Å; Y100-F104 VanDerWaalsContact CE2-CD2 3.48Å; Y100-F104 AromaticContact CE2-CE2 3.94Å; Y100-F104 HydrophobicContact CE2-CE2 3.94Å; Y100-F104 HydrophobicContact CE2-CG 4.32Å; Y100-F104 HydrophobicContact CG-CD2 4.27Å; Y100-F104 PolarHBondContact O-N 2.82Å
101	R	92.9	Very high	93.3	Very high	105 Å²	105	67.4 Å²	67.4	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-69.9	-19.2	179.2	-68.9	-67.8	-172.2	168	-0.5	113.9	H97 A98 F104 E110	H97-R101 WeakPolarHBondContact O-CG 3.48Å; H97-R101 PolarHBondContact O-N 3.01Å; A98-R101 PolarHBondContact O-N 2.77Å; R101-F104 CarbonylContact C-O 3.38Å; R101-F104 VanDerWaalsContact O-O 3.12Å; R101-E110 IonicContact CZ-OE1 3.97Å; R101-E110 IonicContact NH1-OE1 3.66Å; R101-E110 PolarHBondContact NH1-OE1 2.88Å; R101-E110 IonicContact NH1-OE2 3.39Å; R101-E110 PolarHBondContact NH1-OE2 3.45Å; R101-E110 IonicContact NH2-OE1 3.59Å; R101-E110 PolarHBondContact NH2-OE1 3.5Å
102	A	92.8	Very high	93.2	Very high	3 Å²	3	71.8 Å²	71.8	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-80.4	-38.7	171.7	0	0	0	0	0	111.8	R71 I77 A98 L99 Y100	R71-A102 PolarHBondContact N-O 3.17Å; R71-A102 VanDerWaalsContact N-O 3.1Å; I77-A102 HydrophobicContact CD1-CB 3.77Å; I77-A102 HydrophobicContact CG1-CB 3.99Å; I77-A102 HydrophobicContact CG2-CB 3.97Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.07Å; L99-A102 PolarHBondContact O-N 3.42Å; Y100-A102 VanDerWaalsContact C-N 3.25Å; Y100-A102 PolarHBondContact O-N 3.01Å
103	S	92.1	Very high	92.9	Very high	16 Å²	16	70.9 Å²	70.9	11%	0.112	36%	0.36	C	S	.	.	H	α-helix	trans	-73	-42.1	176.3	-62.8	0	0	0	0	112.6	R69 F70 L99 Y100	R69-S103 PolarHBondContact NE-OG 3.47Å; R69-S103 PolarHBondContact NH2-OG 2.83Å; F70-S103 VanDerWaalsContact CB-O 3.28Å; F70-S103 WeakPolarHBondContact CB-O 3.33Å; F70-S103 PolarHBondContact N-O 3.37Å; L99-S103 PolarHBondContact O-N 2.9Å; L99-S103 PolarHBondContact O-OG 3.35Å; L99-S103 VanDerWaalsContact O-OG 3.12Å; Y100-S103 PolarHBondContact O-N 3.31Å
104	F	93.5	Very high	92.6	Very high	46 Å²	46	71.2 Å²	71.2	20%	0.202	37%	0.371	C	S	.	.			trans	-123	139.4	-172.4	-55.2	-75.3	0	0	0	112.5	Y57 P64 P66 Y100 R101	Y57-F104 VanDerWaalsContact OH-CA 3.25Å; Y57-F104 WeakPolarHBondContact OH-CA 3.48Å; P64-F104 WeakPolarHBondContact O-CE1 3.45Å; P66-F104 HydrophobicContact CG-CE1 4.29Å; Y100-F104 AromaticContact CD2-CD2 3.62Å; Y100-F104 HydrophobicContact CD2-CD2 3.62Å; Y100-F104 HydrophobicContact CD2-CE2 4.04Å; Y100-F104 AromaticContact CE2-CD2 3.48Å; Y100-F104 HydrophobicContact CE2-CD2 3.48Å; Y100-F104 VanDerWaalsContact CE2-CD2 3.48Å; Y100-F104 AromaticContact CE2-CE2 3.94Å; Y100-F104 HydrophobicContact CE2-CE2 3.94Å; Y100-F104 HydrophobicContact CE2-CG 4.32Å; Y100-F104 HydrophobicContact CG-CD2 4.27Å; Y100-F104 PolarHBondContact O-N 2.82Å; R101-F104 CarbonylContact C-O 3.38Å; R101-F104 VanDerWaalsContact O-O 3.12Å
105	R	91.6	Very high	92.2	Very high	134 Å²	134	67.9 Å²	67.9	51%	0.506	37%	0.366	S	S	.	.	S	Bend	trans	-70.9	-50.3	177.5	-179	-176.7	170.2	169	-2.2	111.8	Y57 D59 F70	Y57-R105 HydrophobicContact CE1-CB 4Å; Y57-R105 PolarHBondContact OH-N 3.48Å; D59-R105 WeakPolarHBondContact OD2-CB 3.45Å; F70-R105 HydrophobicContact CB-CB 4.47Å; F70-R105 HydrophobicContact CD1-CB 3.9Å; F70-R105 HydrophobicContact CD1-CG 4.48Å; F70-R105 HydrophobicContact CD2-CB 3.55Å; F70-R105 HydrophobicContact CD2-CG 4.1Å; F70-R105 HydrophobicContact CE1-CB 4Å; F70-R105 HydrophobicContact CE1-CG 4.07Å; F70-R105 HydrophobicContact CE2-CB 3.64Å; F70-R105 HydrophobicContact CE2-CG 3.64Å; F70-R105 HydrophobicContact CG-CB 3.69Å; F70-R105 HydrophobicContact CZ-CB 3.88Å; F70-R105 HydrophobicContact CZ-CG 3.63Å
106	M	90.4	Very high	91.9	Very high	62 Å²	62	67.4 Å²	67.4	31%	0.305	37%	0.371	S	S	.	.	S	Bend	trans	-117.1	148.5	-174.2	-63.7	-169.7	-70.1	0	0	110.7	D59 E110 M111	D59-M106 HydrophobicContact CB-CE 3.51Å; D59-M106 WeakPolarHBondContact OD2-CE 3.43Å; M106-E110 HydrophobicContact CB-CB 4.42Å; M106-M111 HydrophobicContact CB-CG 3.96Å; M106-M111 HydrophobicContact CE-CG 4.2Å
107	S	92.2	Very high	91.6	Very high	22 Å²	22	70.6 Å²	70.6	15%	0.154	39%	0.386	C	S	.	.			trans	-83.6	158.1	168.6	67.2	0	0	0	0	111.2	A109 E110 M111	S107-A109 PolarHBondContact O-N 2.98Å; S107-E110 PolarHBondContact N-OE2 3.2Å; S107-E110 WeakPolarHBondContact O-CA 3.44Å; S107-E110 WeakPolarHBondContact O-CB 3.35Å; S107-E110 PolarHBondContact O-N 3.1Å; S107-E110 VanDerWaalsContact OG-CD 3.23Å; S107-E110 VanDerWaalsContact OG-CG 3.31Å; S107-E110 WeakPolarHBondContact OG-CG 3.35Å; S107-E110 PolarHBondContact OG-N 3.18Å; S107-E110 PolarHBondContact OG-OE1 3.24Å; S107-E110 VanDerWaalsContact OG-OE1 3.12Å; S107-M111 WeakPolarHBondContact O-CG 3.41Å; S107-M111 PolarHBondContact O-N 3.1Å
108	F	90.8	Very high	91.6	Very high	96 Å²	96	73 Å²	73	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-56.5	-35.7	176	-75.6	-69.6	0	0	0	113.2	L61 P64 E110 M111 V112	L61-F108 HydrophobicContact CD1-CD1 3.77Å; L61-F108 HydrophobicContact CD1-CE1 4.21Å; P64-F108 HydrophobicContact CB-CE1 4.34Å; P64-F108 HydrophobicContact CB-CZ 3.76Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 3.35Å; F108-M111 HydrophobicContact CD1-SD 4.24Å; F108-M111 PolarHBondContact O-N 3.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.84Å; F108-V112 VanDerWaalsContact O-N 3.07Å
109	A	91.5	Very high	91.6	Very high	82 Å²	82	77.5 Å²	77.5	68%	0.678	40%	0.403	S	S	*	.	H	α-helix	trans	-65.9	-35.1	175.7	0	0	0	0	0	112.4	S107 A113	S107-A109 PolarHBondContact O-N 2.98Å; A109-A113 PolarHBondContact O-N 2.99Å
110	E	91.2	Very high	91.6	Very high	83 Å²	83	80.3 Å²	80.3	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-72.3	-37.3	174.7	-70.9	160.2	-148	0	0	111.5	R101 M106 S107 F108 A113	R101-E110 IonicContact CZ-OE1 3.97Å; R101-E110 IonicContact NH1-OE1 3.66Å; R101-E110 PolarHBondContact NH1-OE1 2.88Å; R101-E110 IonicContact NH1-OE2 3.39Å; R101-E110 PolarHBondContact NH1-OE2 3.45Å; R101-E110 IonicContact NH2-OE1 3.59Å; R101-E110 PolarHBondContact NH2-OE1 3.5Å; M106-E110 HydrophobicContact CB-CB 4.42Å; S107-E110 PolarHBondContact N-OE2 3.2Å; S107-E110 WeakPolarHBondContact O-CA 3.44Å; S107-E110 WeakPolarHBondContact O-CB 3.35Å; S107-E110 PolarHBondContact O-N 3.1Å; S107-E110 VanDerWaalsContact OG-CD 3.23Å; S107-E110 VanDerWaalsContact OG-CG 3.31Å; S107-E110 WeakPolarHBondContact OG-CG 3.35Å; S107-E110 PolarHBondContact OG-N 3.18Å; S107-E110 PolarHBondContact OG-OE1 3.24Å; S107-E110 VanDerWaalsContact OG-OE1 3.12Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 3.35Å; E110-A113 VanDerWaalsContact O-CB 3.26Å; E110-A113 WeakPolarHBondContact O-CB 3.5Å; E110-A113 PolarHBondContact O-N 2.91Å
111	M	89.9	Confident	91.8	Very high	51 Å²	51	81.1 Å²	81.1	25%	0.251	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-38.7	178.7	-68.9	172.8	62.6	0	0	112.9	D59 R60 L61 M106 S107 F108 A113	D59-M111 VanDerWaalsContact C-CE 3.42Å; D59-M111 HydrophobicContact CB-CE 4.23Å; D59-M111 HydrophobicContact CB-SD 4.16Å; D59-M111 WeakPolarHBondContact O-CE 3.46Å; R60-M111 VanDerWaalsContact C-CE 3.41Å; L61-M111 HydrophobicContact CD1-CE 4.14Å; M106-M111 HydrophobicContact CB-CG 3.96Å; M106-M111 HydrophobicContact CE-CG 4.2Å; S107-M111 WeakPolarHBondContact O-CG 3.41Å; S107-M111 PolarHBondContact O-N 3.1Å; F108-M111 HydrophobicContact CD1-SD 4.24Å; F108-M111 PolarHBondContact O-N 3.04Å; M111-A113 VanDerWaalsContact C-N 3.26Å
112	V	91.4	Very high	92	Very high	101 Å²	101	81.8 Å²	81.8	61%	0.612	45%	0.446	S	S	*	.	S	Bend	trans	-82.2	-7.2	179.4	179	0	0	0	0	111.7	L61 F108	L61-V112 HydrophobicContact CD1-CG2 3.88Å; L61-V112 HydrophobicContact CD2-CG2 4.47Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.84Å; F108-V112 VanDerWaalsContact O-N 3.07Å
113	A	90.9	Very high	92.2	Very high	56 Å²	56	83.1 Å²	83.1	46%	0.463	46%	0.46	S	S	.	.	S	Bend	trans	-60.3	131.9	-178.7	0	0	0	0	0	111.4	A109 E110 M111 S115	A109-A113 PolarHBondContact O-N 2.99Å; E110-A113 VanDerWaalsContact O-CB 3.26Å; E110-A113 WeakPolarHBondContact O-CB 3.5Å; E110-A113 PolarHBondContact O-N 2.91Å; M111-A113 VanDerWaalsContact C-N 3.26Å; A113-S115 PolarHBondContact O-N 3.05Å
114	P	89.5	Confident	92.4	Very high	130 Å²	130	87.3 Å²	87.3	84%	0.844	48%	0.481	S	S	*	.			trans	-67.2	120	-178.9	26.3	-33.7	0	0	0	110.8	G116	P114-G116 VanDerWaalsContact C-N 3.34Å
115	S	86.8	Confident	92.7	Very high	95 Å²	95	88.2 Å²	88.2	66%	0.664	49%	0.49	S	S	*	.			trans	-78.8	-16.4	-179.6	68.9	0	0	0	0	113.9	A113 H117	A113-S115 PolarHBondContact O-N 3.05Å; S115-H117 PolarHBondContact O-N 3.04Å; S115-H117 PolarHBondContact OG-N 3.29Å; S115-H117 PolarHBondContact OG-ND1 3.39Å
116	G	90.5	Very high	93	Very high	25 Å²	25	86.2 Å²	86.2	26%	0.258	49%	0.488	S	S	.	.			trans	70.4	6.8	-177.7	0	0	0	0	0	115.2	P114 W118 K119	P114-G116 VanDerWaalsContact C-N 3.34Å; G116-W118 PolarHBondContact O-N 3.49Å; G116-K119 WeakPolarHBondContact O-CB 3.47Å; G116-K119 PolarHBondContact O-N 2.98Å
117	H	89.9	Confident	93.4	Very high	130 Å²	130	88 Å²	88	60%	0.602	50%	0.497	S	S	*	.	H	α-helix	trans	-55.7	-34.4	-179.1	-90.9	65.7	0	0	0	113.4	S115 K119 A120 V121	S115-H117 PolarHBondContact O-N 3.04Å; S115-H117 PolarHBondContact OG-N 3.29Å; S115-H117 PolarHBondContact OG-ND1 3.39Å; H117-K119 PolarHBondContact O-N 2.72Å; H117-A120 WeakPolarHBondContact O-CB 3.41Å; H117-A120 PolarHBondContact O-N 3.02Å; H117-V121 PolarHBondContact O-N 3.38Å; H117-V121 VanDerWaalsContact O-N 3.07Å
118	W	93.6	Very high	93.6	Very high	173 Å²	173	92.1 Å²	92.1	66%	0.655	52%	0.517	S	S	*	.	H	α-helix	trans	-57.5	-31.2	176.9	72.1	-96.7	0	0	0	112.8	G116 V121 F122	G116-W118 PolarHBondContact O-N 3.49Å; W118-V121 PolarHBondContact O-N 3.08Å; W118-F122 WeakPolarHBondContact O-CB 3.36Å; W118-F122 PolarHBondContact O-N 3.29Å
119	K	94.7	Very high	94	Very high	132 Å²	132	89.7 Å²	89.7	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-68.7	-37.6	176.8	-60.2	-177.8	179.1	-179.4	0	111.4	G116 H117 G123	G116-K119 WeakPolarHBondContact O-CB 3.47Å; G116-K119 PolarHBondContact O-N 2.98Å; H117-K119 PolarHBondContact O-N 2.72Å; K119-G123 PolarHBondContact O-N 3.03Å
120	A	94.4	Very high	94.3	Very high	70 Å²	70	89 Å²	89	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-67.4	-43.8	175.7	0	0	0	0	0	111.1	H117 G123 L124	H117-A120 WeakPolarHBondContact O-CB 3.41Å; H117-A120 PolarHBondContact O-N 3.02Å; A120-G123 PolarHBondContact O-N 3.29Å; A120-L124 WeakPolarHBondContact O-CB 3.5Å; A120-L124 PolarHBondContact O-N 3.2Å
121	V	96.3	Very high	94.7	Very high	92 Å²	92	89.4 Å²	89.4	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-49.6	174.7	178.8	0	0	0	0	110.5	H117 W118 G123 L124 T125	H117-V121 PolarHBondContact O-N 3.38Å; H117-V121 VanDerWaalsContact O-N 3.07Å; W118-V121 PolarHBondContact O-N 3.08Å; V121-G123 PolarHBondContact O-N 2.79Å; V121-L124 PolarHBondContact O-N 3.44Å; V121-T125 HydrophobicContact CG1-CG2 4.44Å; V121-T125 WeakPolarHBondContact O-CG2 3.46Å; V121-T125 PolarHBondContact O-N 2.84Å; V121-T125 PolarHBondContact O-OG1 3.43Å
122	F	97.5	Very high	95	Very high	118 Å²	118	89.5 Å²	89.5	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-46.4	178.1	-178.1	-101.9	0	0	0	112.2	W118 L124 T125 M126	W118-F122 WeakPolarHBondContact O-CB 3.36Å; W118-F122 PolarHBondContact O-N 3.29Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.48Å; F122-T125 WeakPolarHBondContact CA-OG1 3.43Å; F122-T125 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-OG1 3.21Å; F122-M126 HydrophobicContact CD1-CG 4.46Å; F122-M126 HydrophobicContact CE1-CG 4.01Å; F122-M126 HydrophobicContact CE2-CE 4.37Å; F122-M126 HydrophobicContact CE2-CG 4.35Å; F122-M126 HydrophobicContact CZ-CG 3.95Å; F122-M126 HydrophobicContact CZ-SD 4.26Å; F122-M126 PolarHBondContact O-N 2.95Å; F122-M126 VanDerWaalsContact O-N 3.08Å
123	G	97.3	Very high	95.3	Very high	31 Å²	31	90.6 Å²	90.6	32%	0.32	52%	0.521	S	S	.	.	H	α-helix	trans	-57.3	-45.5	175.9	0	0	0	0	0	112.4	K119 A120 V121 M126 I127	K119-G123 PolarHBondContact O-N 3.03Å; A120-G123 PolarHBondContact O-N 3.29Å; V121-G123 PolarHBondContact O-N 2.79Å; G123-M126 PolarHBondContact O-N 3.46Å; G123-I127 WeakPolarHBondContact O-CG1 3.32Å; G123-I127 PolarHBondContact O-N 3.47Å; G123-I127 VanDerWaalsContact O-N 3.12Å
124	L	97.5	Very high	95.6	Very high	105 Å²	105	97.3 Å²	97.3	55%	0.55	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-41.7	177.2	-175.9	62.1	0	0	0	112.1	A120 V121 F122 M126 I127 L128	A120-L124 WeakPolarHBondContact O-CB 3.5Å; A120-L124 PolarHBondContact O-N 3.2Å; V121-L124 PolarHBondContact O-N 3.44Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.48Å; L124-M126 VanDerWaalsContact C-N 3.33Å; L124-M126 PolarHBondContact O-N 3.32Å; L124-I127 PolarHBondContact O-N 2.87Å; L124-L128 HydrophobicContact CG-CD1 4.35Å; L124-L128 WeakPolarHBondContact O-CG 3.35Å; L124-L128 PolarHBondContact O-N 3.33Å
125	T	98.2	Very high	96	Very high	65 Å²	65	96.9 Å²	96.9	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-39.3	177.8	58	0	0	0	0	112.6	V121 F122 L128 A129	V121-T125 HydrophobicContact CG1-CG2 4.44Å; V121-T125 WeakPolarHBondContact O-CG2 3.46Å; V121-T125 PolarHBondContact O-N 2.84Å; V121-T125 PolarHBondContact O-OG1 3.43Å; F122-T125 WeakPolarHBondContact CA-OG1 3.43Å; F122-T125 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-OG1 3.21Å; T125-L128 PolarHBondContact O-N 2.94Å; T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 3.07Å
126	M	98.2	Very high	96.4	Very high	91 Å²	91	96.6 Å²	96.6	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-68.3	-38.4	176.8	-70	-65	102.2	0	0	112.1	F122 G123 L124 A129 T130	F122-M126 HydrophobicContact CD1-CG 4.46Å; F122-M126 HydrophobicContact CE1-CG 4.01Å; F122-M126 HydrophobicContact CE2-CE 4.37Å; F122-M126 HydrophobicContact CE2-CG 4.35Å; F122-M126 HydrophobicContact CZ-CG 3.95Å; F122-M126 HydrophobicContact CZ-SD 4.26Å; F122-M126 PolarHBondContact O-N 2.95Å; F122-M126 VanDerWaalsContact O-N 3.08Å; G123-M126 PolarHBondContact O-N 3.46Å; L124-M126 VanDerWaalsContact C-N 3.33Å; L124-M126 PolarHBondContact O-N 3.32Å; M126-A129 PolarHBondContact O-N 3.13Å; M126-T130 WeakPolarHBondContact O-CG2 3.31Å; M126-T130 PolarHBondContact O-N 3.14Å; M126-T130 PolarHBondContact O-OG1 3.48Å; M126-T130 VanDerWaalsContact O-OG1 3.07Å
127	I	98.1	Very high	96.6	Very high	100 Å²	100	97.5 Å²	97.5	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-46	174.6	-67.4	166.7	0	0	0	110.3	G123 L124 A129 T130 V131	G123-I127 WeakPolarHBondContact O-CG1 3.32Å; G123-I127 PolarHBondContact O-N 3.47Å; G123-I127 VanDerWaalsContact O-N 3.12Å; L124-I127 PolarHBondContact O-N 2.87Å; I127-A129 PolarHBondContact O-N 2.74Å; I127-T130 WeakPolarHBondContact CA-OG1 3.35Å; I127-T130 PolarHBondContact O-N 3.18Å; I127-T130 PolarHBondContact O-OG1 2.52Å; I127-V131 WeakPolarHBondContact O-CG2 3.5Å; I127-V131 PolarHBondContact O-N 2.88Å
128	L	98.2	Very high	96.9	Very high	108 Å²	108	96.3 Å²	96.3	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-64.9	-40.5	177.7	-66.5	175.5	0	0	0	112.5	L124 T125 T130 V131 A132	L124-L128 HydrophobicContact CG-CD1 4.35Å; L124-L128 WeakPolarHBondContact O-CG 3.35Å; L124-L128 PolarHBondContact O-N 3.33Å; T125-L128 PolarHBondContact O-N 2.94Å; L128-T130 PolarHBondContact O-N 3.34Å; L128-V131 PolarHBondContact O-N 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 3.23Å
129	A	98.3	Very high	97	Very high	45 Å²	45	90 Å²	90	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-42.3	176.8	0	0	0	0	0	112.1	T125 M126 I127 A132 L133	T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 3.07Å; M126-A129 PolarHBondContact O-N 3.13Å; I127-A129 PolarHBondContact O-N 2.74Å; A129-A132 PolarHBondContact O-N 3.11Å; A129-L133 WeakPolarHBondContact O-CG 3.29Å; A129-L133 PolarHBondContact O-N 3.17Å
130	T	98.3	Very high	96.8	Very high	69 Å²	69	89.1 Å²	89.1	42%	0.423	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-44.7	176.7	52.5	0	0	0	0	111.8	M126 I127 L128 A132 L133 W134	M126-T130 WeakPolarHBondContact O-CG2 3.31Å; M126-T130 PolarHBondContact O-N 3.14Å; M126-T130 PolarHBondContact O-OG1 3.48Å; M126-T130 VanDerWaalsContact O-OG1 3.07Å; I127-T130 WeakPolarHBondContact CA-OG1 3.35Å; I127-T130 PolarHBondContact O-N 3.18Å; I127-T130 PolarHBondContact O-OG1 2.52Å; L128-T130 PolarHBondContact O-N 3.34Å; T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact O-N 3.32Å; T130-L133 PolarHBondContact O-N 3.31Å; T130-W134 PolarHBondContact O-N 2.84Å
131	V	98.2	Very high	96.6	Very high	90 Å²	90	90.9 Å²	90.9	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-58.5	-41.4	174.7	172.7	0	0	0	0	111.3	I127 L128 W134 F135	I127-V131 WeakPolarHBondContact O-CG2 3.5Å; I127-V131 PolarHBondContact O-N 2.88Å; L128-V131 PolarHBondContact O-N 3.3Å; V131-W134 PolarHBondContact O-N 3.26Å; V131-F135 WeakPolarHBondContact O-CB 2.83Å; V131-F135 PolarHBondContact O-N 3.44Å
132	A	97.9	Very high	96.5	Very high	53 Å²	53	93.7 Å²	93.7	44%	0.438	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-43.1	176.3	0	0	0	0	0	112.6	L128 A129 T130 F135 V136	L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 3.23Å; A129-A132 PolarHBondContact O-N 3.11Å; T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact O-N 3.32Å; A132-F135 WeakPolarHBondContact O-CB 3.24Å; A132-F135 PolarHBondContact O-N 3.09Å; A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.48Å
133	L	97.6	Very high	96.2	Very high	125 Å²	125	92.5 Å²	92.5	65%	0.654	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-42.8	176	-71	172.7	0	0	0	112	A129 T130 F135 V136 A137	A129-L133 WeakPolarHBondContact O-CG 3.29Å; A129-L133 PolarHBondContact O-N 3.17Å; T130-L133 PolarHBondContact O-N 3.31Å; L133-F135 VanDerWaalsContact C-N 3.3Å; L133-F135 PolarHBondContact O-N 2.89Å; L133-V136 PolarHBondContact O-N 2.96Å; L133-A137 PolarHBondContact O-N 3.1Å
134	W	97.4	Very high	95.8	Very high	197 Å²	197	97.3 Å²	97.3	75%	0.746	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-39.1	174.2	-81.2	111.5	0	0	0	112.1	T130 V131 A137 F138	T130-W134 PolarHBondContact O-N 2.84Å; V131-W134 PolarHBondContact O-N 3.26Å; W134-A137 PolarHBondContact O-N 3.32Å; W134-F138 WeakPolarHBondContact O-CB 3.49Å; W134-F138 PolarHBondContact O-N 3.29Å
135	F	96.6	Very high	95.3	Very high	120 Å²	120	96.3 Å²	96.3	53%	0.526	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.3	-174.8	-109.8	0	0	0	112.1	V131 A132 L133 A137 F138 L139	V131-F135 WeakPolarHBondContact O-CB 2.83Å; V131-F135 PolarHBondContact O-N 3.44Å; A132-F135 WeakPolarHBondContact O-CB 3.24Å; A132-F135 PolarHBondContact O-N 3.09Å; L133-F135 VanDerWaalsContact C-N 3.3Å; L133-F135 PolarHBondContact O-N 2.89Å; F135-A137 PolarHBondContact O-N 2.83Å; F135-F138 WeakPolarHBondContact O-CB 3.45Å; F135-F138 PolarHBondContact O-N 3.21Å; F135-L139 HydrophobicContact CD1-CD1 4.05Å; F135-L139 HydrophobicContact CD1-CG 4.48Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CG 4.18Å; F135-L139 HydrophobicContact CZ-CD1 4.07Å; F135-L139 HydrophobicContact CZ-CD2 4.2Å; F135-L139 HydrophobicContact CZ-CG 4.24Å; F135-L139 WeakPolarHBondContact O-CG 3.34Å; F135-L139 PolarHBondContact O-N 2.95Å
136	V	95.7	Very high	94.7	Very high	89 Å²	89	99 Å²	99	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-41.4	175	174.1	0	0	0	0	111.6	A132 L133 L139 K140	A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.48Å; L133-V136 PolarHBondContact O-N 2.96Å; V136-L139 PolarHBondContact O-N 3.12Å; V136-K140 WeakPolarHBondContact O-CB 3.24Å; V136-K140 PolarHBondContact O-N 3.12Å
137	A	95.1	Very high	94.1	Very high	45 Å²	45	102 Å²	102	37%	0.372	54%	0.543	S	S	.	.	H	α-helix	trans	-62.3	-42.3	175	0	0	0	0	0	111.8	L133 W134 F135 K140 V141	L133-A137 PolarHBondContact O-N 3.1Å; W134-A137 PolarHBondContact O-N 3.32Å; F135-A137 PolarHBondContact O-N 2.83Å; A137-K140 PolarHBondContact O-N 3.41Å; A137-V141 WeakPolarHBondContact O-CG2 3.5Å; A137-V141 PolarHBondContact O-N 2.63Å
138	F	95.6	Very high	93.6	Very high	104 Å²	104	100.3 Å²	100.3	46%	0.456	54%	0.539	S	S	.	.	H	α-helix	trans	-59.1	-48.5	174.1	172	-95.4	0	0	0	111.8	W134 F135 K140 V141 F142	W134-F138 WeakPolarHBondContact O-CB 3.49Å; W134-F138 PolarHBondContact O-N 3.29Å; F135-F138 WeakPolarHBondContact O-CB 3.45Å; F135-F138 PolarHBondContact O-N 3.21Å; F138-K140 VanDerWaalsContact C-N 3.29Å; F138-K140 PolarHBondContact O-N 3.35Å; F138-V141 PolarHBondContact O-N 2.62Å; F138-F142 AromaticContact CD2-CD2 3.35Å; F138-F142 HydrophobicContact CD2-CD2 3.35Å; F138-F142 AromaticContact CD2-CE2 3.77Å; F138-F142 HydrophobicContact CD2-CE2 3.77Å; F138-F142 HydrophobicContact CD2-CG 4.33Å; F138-F142 HydrophobicContact CE2-CB 4.33Å; F138-F142 AromaticContact CE2-CD2 3.46Å; F138-F142 HydrophobicContact CE2-CD2 3.46Å; F138-F142 VanDerWaalsContact CE2-CD2 3.46Å; F138-F142 AromaticContact CE2-CE2 3.99Å; F138-F142 HydrophobicContact CE2-CE2 3.99Å; F138-F142 HydrophobicContact CE2-CG 4.05Å; F138-F142 HydrophobicContact CG-CD2 4.14Å; F138-F142 HydrophobicContact CZ-CB 4.42Å; F138-F142 HydrophobicContact CZ-CD2 4.33Å; F138-F142 WeakPolarHBondContact O-CD2 3.43Å; F138-F142 PolarHBondContact O-N 2.91Å
139	L	95.5	Very high	93.1	Very high	41 Å²	41	100.4 Å²	100.4	22%	0.215	55%	0.546	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.5	-68.1	178	0	0	0	111.9	F135 V136 V141 V143 F144	F135-L139 HydrophobicContact CD1-CD1 4.05Å; F135-L139 HydrophobicContact CD1-CG 4.48Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CG 4.18Å; F135-L139 HydrophobicContact CZ-CD1 4.07Å; F135-L139 HydrophobicContact CZ-CD2 4.2Å; F135-L139 HydrophobicContact CZ-CG 4.24Å; F135-L139 WeakPolarHBondContact O-CG 3.34Å; F135-L139 PolarHBondContact O-N 2.95Å; V136-L139 PolarHBondContact O-N 3.12Å; L139-V141 PolarHBondContact O-N 2.78Å; L139-V143 HydrophobicContact CD2-CB 4.14Å; L139-V143 HydrophobicContact CD2-CG1 4.49Å; L139-V143 HydrophobicContact CD2-CG2 3.81Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CB 3.38Å; L139-V143 PolarHBondContact O-N 2.83Å; L139-F144 HydrophobicContact CB-CD2 4.05Å; L139-F144 HydrophobicContact CB-CE2 3.61Å; L139-F144 HydrophobicContact CB-CZ 4.21Å; L139-F144 HydrophobicContact CD1-CE2 4.39Å; L139-F144 HydrophobicContact CD1-CZ 4.39Å; L139-F144 WeakPolarHBondContact O-CD2 3.4Å; L139-F144 PolarHBondContact O-N 3.29Å
140	K	89.9	Confident	92.7	Very high	114 Å²	114	101.8 Å²	101.8	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-33.4	178.8	-178.7	168.9	174.2	152.4	0	113.8	V136 A137 F138 Y147	V136-K140 WeakPolarHBondContact O-CB 3.24Å; V136-K140 PolarHBondContact O-N 3.12Å; A137-K140 PolarHBondContact O-N 3.41Å; F138-K140 VanDerWaalsContact C-N 3.29Å; F138-K140 PolarHBondContact O-N 3.35Å; K140-Y147 WeakPolarHBondContact CE-OH 3.24Å; K140-Y147 PolarHBondContact NZ-OH 3.15Å
141	V	91.4	Very high	92.2	Very high	107 Å²	107	104.2 Å²	104.2	65%	0.648	56%	0.557	S	S	*	*	H	α-helix	trans	-85.2	-39.8	-178.7	174	0	0	0	0	112	A137 F138 L139	A137-V141 WeakPolarHBondContact O-CG2 3.5Å; A137-V141 PolarHBondContact O-N 2.63Å; F138-V141 PolarHBondContact O-N 2.62Å; L139-V141 PolarHBondContact O-N 2.78Å
142	F	93.1	Very high	91.8	Very high	151 Å²	151	102.2 Å²	102.2	66%	0.662	55%	0.547	S	S	*	.	H	α-helix	trans	-109.1	-23.6	-168.1	-65.1	-74.5	0	0	0	115.1	F138	F138-F142 AromaticContact CD2-CD2 3.35Å; F138-F142 HydrophobicContact CD2-CD2 3.35Å; F138-F142 AromaticContact CD2-CE2 3.77Å; F138-F142 HydrophobicContact CD2-CE2 3.77Å; F138-F142 HydrophobicContact CD2-CG 4.33Å; F138-F142 HydrophobicContact CE2-CB 4.33Å; F138-F142 AromaticContact CE2-CD2 3.46Å; F138-F142 HydrophobicContact CE2-CD2 3.46Å; F138-F142 VanDerWaalsContact CE2-CD2 3.46Å; F138-F142 AromaticContact CE2-CE2 3.99Å; F138-F142 HydrophobicContact CE2-CE2 3.99Å; F138-F142 HydrophobicContact CE2-CG 4.05Å; F138-F142 HydrophobicContact CG-CD2 4.14Å; F138-F142 HydrophobicContact CZ-CB 4.42Å; F138-F142 HydrophobicContact CZ-CD2 4.33Å; F138-F142 WeakPolarHBondContact O-CD2 3.43Å; F138-F142 PolarHBondContact O-N 2.91Å
143	V	92.3	Very high	91.6	Very high	92 Å²	92	106.8 Å²	106.8	56%	0.558	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-44.9	-169.8	-176.9	0	0	0	0	112.1	L139	L139-V143 HydrophobicContact CD2-CB 4.14Å; L139-V143 HydrophobicContact CD2-CG1 4.49Å; L139-V143 HydrophobicContact CD2-CG2 3.81Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CB 3.38Å; L139-V143 PolarHBondContact O-N 2.83Å
144	F	88.5	Confident	91.4	Very high	132 Å²	132	107.2 Å²	107.2	58%	0.579	56%	0.558	S	S	*	*	S	Bend	trans	-77.3	135.2	-176.7	-65.1	-47.3	0	0	0	111.9	L139	L139-F144 HydrophobicContact CB-CD2 4.05Å; L139-F144 HydrophobicContact CB-CE2 3.61Å; L139-F144 HydrophobicContact CB-CZ 4.21Å; L139-F144 HydrophobicContact CD1-CE2 4.39Å; L139-F144 HydrophobicContact CD1-CZ 4.39Å; L139-F144 WeakPolarHBondContact O-CD2 3.4Å; L139-F144 PolarHBondContact O-N 3.29Å
145	A	86.3	Confident	91.2	Very high	84 Å²	84	99.6 Å²	99.6	69%	0.694	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-60.1	155.7	172.7	0	0	0	0	0	111.1	Y147	A145-Y147 PolarHBondContact O-N 3.12Å
146	P	85.9	Confident	91.1	Very high	122 Å²	122	99.5 Å²	99.5	79%	0.792	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-52.6	141.8	170.8	24	-34.5	0	0	0	110.1
147	Y	85.2	Confident	91	Very high	153 Å²	153	100.8 Å²	100.8	60%	0.6	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-54.5	139.7	179	-70.2	-73.3	0	0	0	110.3	K140 A145	K140-Y147 WeakPolarHBondContact CE-OH 3.24Å; K140-Y147 PolarHBondContact NZ-OH 3.15Å; A145-Y147 PolarHBondContact O-N 3.12Å
148	P	88.8	Confident	91	Very high	66 Å²	66	102.6 Å²	102.6	43%	0.429	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-62.2	151.7	178.4	16.3	-17.7	0	0	0	110	S150 F151	P148-S150 PolarHBondContact O-N 2.95Å; P148-F151 HydrophobicContact CG-CD2 3.73Å; P148-F151 HydrophobicContact CG-CE2 4.01Å; P148-F151 PolarHBondContact O-N 3.18Å
149	P	87.8	Confident	90.9	Very high	110 Å²	110	102 Å²	102	71%	0.714	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-57.2	-23.9	-175.7	22.8	-33.9	0	0	0	113	F151 S152 S155	P149-F151 PolarHBondContact O-N 3.24Å; P149-F151 VanDerWaalsContact O-N 3.16Å; P149-S152 VanDerWaalsContact O-CB 3.3Å; P149-S152 WeakPolarHBondContact O-CB 3.24Å; P149-S152 PolarHBondContact O-N 2.97Å; P149-S152 PolarHBondContact O-OG 3.34Å; P149-S155 PolarHBondContact O-OG 3.3Å
150	S	88.7	Confident	90.8	Very high	74 Å²	74	103 Å²	103	52%	0.517	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-60.8	-19.3	174.3	61.2	0	0	0	0	114.7	P148 S155	P148-S150 PolarHBondContact O-N 2.95Å; S150-S155 VanDerWaalsContact O-CB 3.31Å; S150-S155 WeakPolarHBondContact O-CB 3.25Å
151	F	88	Confident	90.9	Very high	119 Å²	119	101.2 Å²	101.2	52%	0.522	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-90	-1.8	175.5	-80.1	-95.5	0	0	0	113.6	P148 P149 K156	P148-F151 HydrophobicContact CG-CD2 3.73Å; P148-F151 HydrophobicContact CG-CE2 4.01Å; P148-F151 PolarHBondContact O-N 3.18Å; P149-F151 PolarHBondContact O-N 3.24Å; P149-F151 VanDerWaalsContact O-N 3.16Å; F151-K156 WeakPolarHBondContact O-CE 3.38Å; F151-K156 PolarHBondContact O-NZ 3.37Å
152	S	91.4	Very high	91.1	Very high	48 Å²	48	102.9 Å²	102.9	34%	0.336	53%	0.53	S	S	.	.	S	Bend	trans	-57.7	152.4	171.3	73	0	0	0	0	110.3	P149 E154 S155 K156	P149-S152 VanDerWaalsContact O-CB 3.3Å; P149-S152 WeakPolarHBondContact O-CB 3.24Å; P149-S152 PolarHBondContact O-N 2.97Å; P149-S152 PolarHBondContact O-OG 3.34Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 3Å; S152-S155 PolarHBondContact O-N 3.47Å; S152-S155 VanDerWaalsContact OG-CB 3.31Å; S152-S155 WeakPolarHBondContact OG-CB 3.33Å; S152-S155 PolarHBondContact OG-N 3.39Å; S152-S155 VanDerWaalsContact OG-N 3.14Å; S152-S155 PolarHBondContact OG-OG 3.38Å; S152-K156 WeakPolarHBondContact O-CG 3.37Å; S152-K156 PolarHBondContact O-N 3.11Å
153	E	92.2	Very high	91.1	Very high	150 Å²	150	99.3 Å²	99.3	70%	0.701	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-46.2	179.4	-169.2	160.3	-155	0	0	111	S155 K156 E157	E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.98Å; E153-K156 WeakPolarHBondContact O-CB 3.37Å; E153-K156 PolarHBondContact O-N 3.2Å; E153-K156 VanDerWaalsContact O-N 3.07Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 2.98Å
154	E	94.6	Very high	91.2	Very high	133 Å²	133	95 Å²	95	62%	0.621	49%	0.49	S	S	*	.	H	α-helix	trans	-55.7	-44.4	173.7	-174.4	-174.5	-178	0	0	112.6	S152 K156 E157 L158	S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 3Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.04Å; E154-E157 PolarHBondContact O-N 3.21Å; E154-L158 HydrophobicContact CG-CD1 4.23Å; E154-L158 WeakPolarHBondContact O-CB 2.88Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.49Å; E154-L158 PolarHBondContact O-N 3.28Å
155	S	93.2	Very high	91.4	Very high	37 Å²	37	93.4 Å²	93.4	26%	0.259	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-36.3	178.2	-65.4	0	0	0	0	112.2	P149 S150 S152 E153 Q159	P149-S155 PolarHBondContact O-OG 3.3Å; S150-S155 VanDerWaalsContact O-CB 3.31Å; S150-S155 WeakPolarHBondContact O-CB 3.25Å; S152-S155 PolarHBondContact O-N 3.47Å; S152-S155 VanDerWaalsContact OG-CB 3.31Å; S152-S155 WeakPolarHBondContact OG-CB 3.33Å; S152-S155 PolarHBondContact OG-N 3.39Å; S152-S155 VanDerWaalsContact OG-N 3.14Å; S152-S155 PolarHBondContact OG-OG 3.38Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.98Å; S155-Q159 VanDerWaalsContact O-CB 3.26Å; S155-Q159 WeakPolarHBondContact O-CB 3.17Å; S155-Q159 PolarHBondContact O-N 2.87Å
156	K	93.6	Very high	91.8	Very high	119 Å²	119	95.8 Å²	95.8	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-68.1	-41.4	176.3	-70.6	167.9	178.8	159.3	0	111.3	F151 S152 E153 E154 Q159 L160	F151-K156 WeakPolarHBondContact O-CE 3.38Å; F151-K156 PolarHBondContact O-NZ 3.37Å; S152-K156 WeakPolarHBondContact O-CG 3.37Å; S152-K156 PolarHBondContact O-N 3.11Å; E153-K156 WeakPolarHBondContact O-CB 3.37Å; E153-K156 PolarHBondContact O-N 3.2Å; E153-K156 VanDerWaalsContact O-N 3.07Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.04Å; K156-Q159 PolarHBondContact O-N 3.43Å; K156-L160 VanDerWaalsContact O-CB 3.31Å; K156-L160 WeakPolarHBondContact O-CB 3.3Å; K156-L160 PolarHBondContact O-N 3.43Å
157	E	93.3	Very high	92	Very high	116 Å²	116	96.1 Å²	96.1	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-62.8	-47.5	175.4	-70.7	172.8	170.9	0	0	111	E153 E154 Q159 L160 Q161	E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 2.98Å; E154-E157 PolarHBondContact O-N 3.21Å; E157-Q159 VanDerWaalsContact C-N 3.3Å; E157-Q159 PolarHBondContact O-N 3.5Å; E157-L160 PolarHBondContact O-N 3.39Å; E157-Q161 WeakPolarHBondContact O-CB 3.25Å; E157-Q161 PolarHBondContact O-N 3.36Å
158	L	95.4	Very high	92.3	Very high	83 Å²	83	90.1 Å²	90.1	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-39.9	175.2	-71.1	174.6	0	0	0	111.9	E154 Q161 R162	E154-L158 HydrophobicContact CG-CD1 4.23Å; E154-L158 WeakPolarHBondContact O-CB 2.88Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.49Å; E154-L158 PolarHBondContact O-N 3.28Å; L158-Q161 PolarHBondContact O-N 3.35Å; L158-R162 WeakPolarHBondContact O-CB 3.39Å; L158-R162 WeakPolarHBondContact O-CG 3.43Å; L158-R162 PolarHBondContact O-N 3.24Å
159	Q	94.1	Very high	92.3	Very high	92 Å²	92	92.8 Å²	92.8	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-67.4	-39.8	176.8	-168.2	68	6.5	0	0	111.6	S155 K156 E157 R162 M163	S155-Q159 VanDerWaalsContact O-CB 3.26Å; S155-Q159 WeakPolarHBondContact O-CB 3.17Å; S155-Q159 PolarHBondContact O-N 2.87Å; K156-Q159 PolarHBondContact O-N 3.43Å; E157-Q159 VanDerWaalsContact C-N 3.3Å; E157-Q159 PolarHBondContact O-N 3.5Å; Q159-R162 PolarHBondContact O-N 3.16Å; Q159-M163 WeakPolarHBondContact O-CG 3.28Å; Q159-M163 PolarHBondContact O-N 2.87Å
160	L	93.1	Very high	92.4	Very high	62 Å²	62	91.4 Å²	91.4	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-65.9	-42.6	175	178	144	0	0	0	111.4	K156 E157 R162 M163 I164 W185	K156-L160 VanDerWaalsContact O-CB 3.31Å; K156-L160 WeakPolarHBondContact O-CB 3.3Å; K156-L160 PolarHBondContact O-N 3.43Å; E157-L160 PolarHBondContact O-N 3.39Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 3.4Å; L160-M163 WeakPolarHBondContact O-CB 3.42Å; L160-M163 PolarHBondContact O-N 3.39Å; L160-M163 VanDerWaalsContact O-N 3.14Å; L160-I164 HydrophobicContact CD2-CD1 3.6Å; L160-I164 HydrophobicContact CG-CD1 4.44Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.5Å; L160-W185 HydrophobicContact CD1-CH2 4.25Å; L160-W185 HydrophobicContact CD1-CZ2 4.07Å; L160-W185 HydrophobicContact CD2-CH2 4.07Å; L160-W185 HydrophobicContact CD2-CZ2 3.64Å; L160-W185 HydrophobicContact CG-CH2 4.46Å; L160-W185 HydrophobicContact CG-CZ2 4.36Å
161	Q	93.1	Very high	92.5	Very high	76 Å²	76	94.9 Å²	94.9	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-59.2	-46.6	174.5	-173.1	68.4	37.3	0	0	110.6	E157 L158 M163 I164 D165	E157-Q161 WeakPolarHBondContact O-CB 3.25Å; E157-Q161 PolarHBondContact O-N 3.36Å; L158-Q161 PolarHBondContact O-N 3.35Å; Q161-M163 VanDerWaalsContact C-N 3.29Å; Q161-M163 PolarHBondContact O-N 2.91Å; Q161-I164 WeakPolarHBondContact O-CB 3.26Å; Q161-I164 PolarHBondContact O-N 3.3Å; Q161-I164 VanDerWaalsContact O-N 3.09Å; Q161-D165 PolarHBondContact NE2-OD1 2.99Å; Q161-D165 PolarHBondContact O-N 3.25Å
162	R	94.6	Very high	92.6	Very high	141 Å²	141	94.8 Å²	94.8	53%	0.532	48%	0.475	S	S	.	.	H	α-helix	trans	-58.5	-38.9	174.3	-73.3	167.7	-175.5	170	0.6	112.7	L158 Q159 L160 I164 D165 L166	L158-R162 WeakPolarHBondContact O-CB 3.39Å; L158-R162 WeakPolarHBondContact O-CG 3.43Å; L158-R162 PolarHBondContact O-N 3.24Å; Q159-R162 PolarHBondContact O-N 3.16Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 3.4Å; R162-I164 VanDerWaalsContact C-N 3.32Å; R162-D165 PolarHBondContact O-N 3.16Å; R162-L166 WeakPolarHBondContact O-CB 3.41Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.08Å
163	M	94	Very high	92.5	Very high	77 Å²	77	92.9 Å²	92.9	38%	0.379	46%	0.462	S	S	.	.	H	α-helix	trans	-64.9	-38.1	176.8	-72.1	-66	-171.7	0	0	111.7	Q159 L160 Q161 Y167 A168 S175	Q159-M163 WeakPolarHBondContact O-CG 3.28Å; Q159-M163 PolarHBondContact O-N 2.87Å; L160-M163 WeakPolarHBondContact O-CB 3.42Å; L160-M163 PolarHBondContact O-N 3.39Å; L160-M163 VanDerWaalsContact O-N 3.14Å; Q161-M163 VanDerWaalsContact C-N 3.29Å; Q161-M163 PolarHBondContact O-N 2.91Å; M163-Y167 PolarHBondContact O-N 3.05Å; M163-A168 HydrophobicContact CB-CB 4.06Å; M163-A168 HydrophobicContact CG-CB 4.49Å; M163-A168 VanDerWaalsContact O-CB 3.26Å; M163-A168 WeakPolarHBondContact O-CB 2.92Å; M163-A168 PolarHBondContact O-N 3.46Å; M163-A168 HydrophobicContact SD-CB 3.69Å; M163-S175 PolarHBondContact O-OG 3.43Å
164	I	93.8	Very high	92.4	Very high	1 Å²	1	92.1 Å²	92.1	1%	0.005	45%	0.454	C	S	.	.	H	α-helix	trans	-66	-48.4	174.3	-68.9	166.8	0	0	0	110.4	L160 Q161 R162 L166 Y167 W178 Y180 W185	L160-I164 HydrophobicContact CD2-CD1 3.6Å; L160-I164 HydrophobicContact CG-CD1 4.44Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.5Å; Q161-I164 WeakPolarHBondContact O-CB 3.26Å; Q161-I164 PolarHBondContact O-N 3.3Å; Q161-I164 VanDerWaalsContact O-N 3.09Å; R162-I164 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 2.74Å; I164-Y167 PolarHBondContact O-N 2.8Å; I164-W178 HydrophobicContact CD1-CB 4.33Å; I164-W178 HydrophobicContact CD1-CD2 3.79Å; I164-W178 HydrophobicContact CD1-CE3 3.85Å; I164-W178 HydrophobicContact CD1-CG 4.02Å; I164-W178 HydrophobicContact CD1-CZ3 4.44Å; I164-W178 HydrophobicContact CG1-CB 4.32Å; I164-W178 HydrophobicContact CG1-CG 4.32Å; I164-W178 HydrophobicContact CG2-CB 4.05Å; I164-W178 HydrophobicContact CG2-CD2 4.19Å; I164-W178 HydrophobicContact CG2-CG 3.58Å; I164-Y180 HydrophobicContact CG2-CD1 4.37Å; I164-Y180 HydrophobicContact CG2-CE1 3.55Å; I164-Y180 PolarHBondContact O-OH 2.87Å; I164-W185 HydrophobicContact CD1-CH2 3.88Å; I164-W185 HydrophobicContact CD1-CZ2 4.15Å
165	D	92.7	Very high	92.3	Very high	98 Å²	98	86 Å²	86	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-33.8	-178.8	-62.2	-20.4	0	0	0	112.1	Q161 R162 Y167	Q161-D165 PolarHBondContact NE2-OD1 2.99Å; Q161-D165 PolarHBondContact O-N 3.25Å; R162-D165 PolarHBondContact O-N 3.16Å; D165-Y167 VanDerWaalsContact C-N 3.26Å; D165-Y167 PolarHBondContact O-N 3.41Å
166	L	93.5	Very high	92.2	Very high	135 Å²	135	86.2 Å²	86.2	71%	0.707	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.3	175.8	-69.8	173.4	0	0	0	113.8	R162 I164 A168	R162-L166 WeakPolarHBondContact O-CB 3.41Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.08Å; I164-L166 PolarHBondContact O-N 2.74Å; L166-A168 PolarHBondContact O-N 3.25Å
167	Y	90.8	Very high	92.2	Very high	129 Å²	129	86.7 Å²	86.7	51%	0.506	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	40	-171.3	-70.8	-90.9	0	0	0	112.6	M163 I164 D165 E169 P170 S175 Y180	M163-Y167 PolarHBondContact O-N 3.05Å; I164-Y167 PolarHBondContact O-N 2.8Å; D165-Y167 VanDerWaalsContact C-N 3.26Å; D165-Y167 PolarHBondContact O-N 3.41Å; Y167-E169 PolarHBondContact O-N 2.93Å; Y167-P170 WeakPolarHBondContact O-CD 3.46Å; Y167-S175 WeakPolarHBondContact CA-OG 3.31Å; Y167-Y180 HydrophobicContact CD1-CE1 4.18Å; Y167-Y180 HydrophobicContact CD1-CE2 4.08Å; Y167-Y180 AromaticContact CD1-CZ 3.65Å; Y167-Y180 WeakPolarHBondContact CD1-OH 3.49Å; Y167-Y180 HydrophobicContact CE1-CD1 4.09Å; Y167-Y180 AromaticContact CE1-CD2 4Å; Y167-Y180 HydrophobicContact CE1-CD2 4Å; Y167-Y180 AromaticContact CE1-CE1 3.6Å; Y167-Y180 HydrophobicContact CE1-CE1 3.6Å; Y167-Y180 AromaticContact CE1-CE2 3.51Å; Y167-Y180 HydrophobicContact CE1-CE2 3.51Å; Y167-Y180 HydrophobicContact CE1-CG 4.29Å; Y167-Y180 AromaticContact CE1-CZ 3.3Å; Y167-Y180 HydrophobicContact CE2-CE1 4.35Å; Y167-Y180 AromaticContact CZ-CD1 3.94Å; Y167-Y180 AromaticContact CZ-CE1 3.69Å; Y167-Y180 AromaticContact CZ-CZ 3.92Å
168	A	90.8	Very high	92.2	Very high	27 Å²	27	82.3 Å²	82.3	22%	0.223	41%	0.408	C	S	.	.			trans	-61.2	122.7	177.5	0	0	0	0	0	110.4	M163 L166 S175	M163-A168 HydrophobicContact CB-CB 4.06Å; M163-A168 HydrophobicContact CG-CB 4.49Å; M163-A168 VanDerWaalsContact O-CB 3.26Å; M163-A168 WeakPolarHBondContact O-CB 2.92Å; M163-A168 PolarHBondContact O-N 3.46Å; M163-A168 HydrophobicContact SD-CB 3.69Å; L166-A168 PolarHBondContact O-N 3.25Å; A168-S175 PolarHBondContact N-OG 2.77Å; A168-S175 WeakPolarHBondContact O-CB 3.47Å; A168-S175 PolarHBondContact O-OG 2.87Å
169	E	89.8	Confident	92.2	Very high	122 Å²	122	79.8 Å²	79.8	57%	0.57	40%	0.395	S	S	*	.	S	Bend	trans	56.6	66.3	179.5	-59.6	-179	167	0	0	114.5	Y167 I171 G173	Y167-E169 PolarHBondContact O-N 2.93Å; E169-I171 VanDerWaalsContact C-N 3.26Å; E169-I171 PolarHBondContact O-N 3.26Å; E169-G173 WeakPolarHBondContact O-CA 2.94Å; E169-G173 PolarHBondContact O-N 3.28Å; E169-G173 WeakPolarHBondContact OE2-CA 3.36Å
170	P	89.3	Confident	92.1	Very high	81 Å²	81	78.7 Å²	78.7	53%	0.526	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.8	-171.5	29	-34.2	0	0	0	114.6	Y167 S176	Y167-P170 WeakPolarHBondContact O-CD 3.46Å; P170-S176 VanDerWaalsContact O-CB 3.23Å; P170-S176 WeakPolarHBondContact O-CB 3.44Å
171	I	91	Very high	92	Very high	147 Å²	147	84.1 Å²	84.1	75%	0.754	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-42.3	-177.1	-56.6	174.8	0	0	0	111.9	E169 S176	E169-I171 VanDerWaalsContact C-N 3.26Å; E169-I171 PolarHBondContact O-N 3.26Å; I171-S176 PolarHBondContact O-OG 3.35Å
172	T	89.6	Confident	92.1	Very high	117 Å²	117	85.4 Å²	85.4	72%	0.718	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-12.6	-172.2	54	0	0	0	0	114.8
173	G	90.8	Very high	92	Very high	8 Å²	8	84.2 Å²	84.2	8%	0.082	42%	0.424	C	S	.	.	S	Bend	trans	-96.9	-161.3	-172	0	0	0	0	0	114	E169 S175 S176	E169-G173 WeakPolarHBondContact O-CA 2.94Å; E169-G173 PolarHBondContact O-N 3.28Å; E169-G173 WeakPolarHBondContact OE2-CA 3.36Å; G173-S175 VanDerWaalsContact C-N 3.31Å; G173-S175 PolarHBondContact O-N 3.08Å; G173-S176 WeakPolarHBondContact O-CB 3.5Å; G173-S176 PolarHBondContact O-N 2.85Å
174	Y	89.5	Confident	92	Very high	134 Å²	134	86.7 Å²	86.7	53%	0.525	43%	0.429	S	S	.	.	H	α-helix	trans	-56.9	-43.4	-175.6	-57.2	-73	0	0	0	112.4	S176 K177 W178 W185	Y174-S176 VanDerWaalsContact C-N 3.26Å; Y174-S176 PolarHBondContact O-N 3.24Å; Y174-K177 PolarHBondContact O-N 3.3Å; Y174-W178 PolarHBondContact O-N 3.48Å; Y174-W185 HydrophobicContact CD1-CH2 4.47Å
175	S	91.5	Very high	91.9	Very high	4 Å²	4	91.9 Å²	91.9	3%	0.028	45%	0.449	C	S	.	.	H	α-helix	trans	-63.7	-28.1	-178.1	-60.9	0	0	0	0	113.9	M163 Y167 A168 G173 Y180	M163-S175 PolarHBondContact O-OG 3.43Å; Y167-S175 WeakPolarHBondContact CA-OG 3.31Å; A168-S175 PolarHBondContact N-OG 2.77Å; A168-S175 WeakPolarHBondContact O-CB 3.47Å; A168-S175 PolarHBondContact O-OG 2.87Å; G173-S175 VanDerWaalsContact C-N 3.31Å; G173-S175 PolarHBondContact O-N 3.08Å; S175-Y180 VanDerWaalsContact CA-OH 3.26Å; S175-Y180 WeakPolarHBondContact CA-OH 3.38Å; S175-Y180 WeakPolarHBondContact CB-OH 3.47Å; S175-Y180 VanDerWaalsContact O-CE2 3.3Å; S175-Y180 WeakPolarHBondContact O-CE2 3.45Å; S175-Y180 PolarHBondContact O-OH 3.01Å; S175-Y180 VanDerWaalsContact O-OH 3.06Å
176	S	92.6	Very high	91.8	Very high	41 Å²	41	92.4 Å²	92.4	29%	0.287	45%	0.447	S	S	.	.	H	α-helix	trans	-68.4	-37.6	174.9	-177.4	0	0	0	0	111.9	P170 I171 G173 Y174 K186	P170-S176 VanDerWaalsContact O-CB 3.23Å; P170-S176 WeakPolarHBondContact O-CB 3.44Å; I171-S176 PolarHBondContact O-OG 3.35Å; G173-S176 WeakPolarHBondContact O-CB 3.5Å; G173-S176 PolarHBondContact O-N 2.85Å; Y174-S176 VanDerWaalsContact C-N 3.26Å; Y174-S176 PolarHBondContact O-N 3.24Å; S176-K186 PolarHBondContact O-NZ 3.41Å
177	K	93.1	Very high	91.5	Very high	129 Å²	129	93.4 Å²	93.4	56%	0.561	47%	0.474	S	S	*	.	H	α-helix	trans	-84.4	-10.8	-176.3	-61.3	-178.7	-178	179.3	0	113.4	Y174 W185 K186	Y174-K177 PolarHBondContact O-N 3.3Å; K177-W185 HydrophobicContact CB-CE3 4.1Å; K177-W185 HydrophobicContact CB-CZ3 4.18Å; K177-K186 WeakPolarHBondContact O-CB 3.46Å; K177-K186 WeakPolarHBondContact O-CG 3.49Å; K177-K186 PolarHBondContact O-N 3.4Å
178	W	94.2	Very high	91.5	Very high	24 Å²	24	91.6 Å²	91.6	9%	0.091	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.9	175.2	-168.7	-106.4	0	0	0	111.1	I164 Y174 Y180 N183 W185 K186	I164-W178 HydrophobicContact CD1-CB 4.33Å; I164-W178 HydrophobicContact CD1-CD2 3.79Å; I164-W178 HydrophobicContact CD1-CE3 3.85Å; I164-W178 HydrophobicContact CD1-CG 4.02Å; I164-W178 HydrophobicContact CD1-CZ3 4.44Å; I164-W178 HydrophobicContact CG1-CB 4.32Å; I164-W178 HydrophobicContact CG1-CG 4.32Å; I164-W178 HydrophobicContact CG2-CB 4.05Å; I164-W178 HydrophobicContact CG2-CD2 4.19Å; I164-W178 HydrophobicContact CG2-CG 3.58Å; Y174-W178 PolarHBondContact O-N 3.48Å; W178-Y180 HydrophobicContact CB-CE2 4.35Å; W178-Y180 AromaticContact CD1-CD1 3.71Å; W178-Y180 AromaticContact CD1-CE1 3.78Å; W178-Y180 AromaticContact CD1-CG 3.96Å; W178-N183 WeakPolarHBondContact CH2-O 3.18Å; W178-N183 HydrophobicContact CZ2-CB 4.2Å; W178-N183 WeakPolarHBondContact CZ2-O 3.11Å; W178-W185 HydrophobicContact CB-CZ3 4.46Å; W178-W185 AromaticContact CE3-CD2 3.49Å; W178-W185 HydrophobicContact CE3-CD2 3.49Å; W178-W185 VanDerWaalsContact CE3-CD2 3.49Å; W178-W185 AromaticContact CE3-CE2 3.64Å; W178-W185 AromaticContact CE3-CE3 3.74Å; W178-W185 HydrophobicContact CE3-CE3 3.74Å; W178-W185 AromaticContact CE3-CG 3.89Å; W178-W185 HydrophobicContact CE3-CG 3.89Å; W178-W185 HydrophobicContact CE3-CH2 4.26Å; W178-W185 HydrophobicContact CE3-CZ2 4.06Å; W178-W185 HydrophobicContact CE3-CZ3 4.1Å; W178-W185 AromaticContact CZ3-CD1 3.63Å; W178-W185 AromaticContact CZ3-CD2 3.73Å; W178-W185 HydrophobicContact CZ3-CD2 3.73Å; W178-W185 AromaticContact CZ3-CE2 3.57Å; W178-W185 HydrophobicContact CZ3-CE3 4.44Å; W178-W185 AromaticContact CZ3-CG 3.79Å; W178-W185 HydrophobicContact CZ3-CG 3.79Å; W178-W185 HydrophobicContact CZ3-CZ2 4.19Å; W178-W185 AromaticContact CZ3-NE1 3.5Å; W178-K186 VanDerWaalsContact O-CE 3.23Å; W178-K186 WeakPolarHBondContact O-CE 3.45Å; W178-K186 PolarHBondContact O-NZ 3.38Å
179	D	93.7	Very high	91.6	Very high	31 Å²	31	95 Å²	95	17%	0.166	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	101.4	171.9	-170.9	10.7	0	0	0	109.5	E181 N182 N183 R184 K186	D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.32Å; D179-N182 PolarHBondContact O-N 2.75Å; D179-N182 PolarHBondContact OD2-ND2 3.33Å; D179-N183 WeakPolarHBondContact O-CA 3.49Å; D179-N183 PolarHBondContact O-N 3.34Å; D179-R184 WeakPolarHBondContact CA-O 3.32Å; D179-R184 HydrophobicContact CB-CG 4.27Å; D179-R184 VanDerWaalsContact CB-O 3.23Å; D179-R184 WeakPolarHBondContact CB-O 3.48Å; D179-R184 PolarHBondContact N-O 3.24Å; D179-R184 PolarHBondContact O-N 3.39Å; D179-K186 HydrophobicContact CB-CG 3.89Å
180	Y	91.7	Very high	91.7	Very high	69 Å²	69	93.5 Å²	93.5	27%	0.271	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.9	-174.5	-63.4	-90.2	0	0	0	113.5	I164 Y167 S175 W178	I164-Y180 HydrophobicContact CG2-CD1 4.37Å; I164-Y180 HydrophobicContact CG2-CE1 3.55Å; I164-Y180 PolarHBondContact O-OH 2.87Å; Y167-Y180 HydrophobicContact CD1-CE1 4.18Å; Y167-Y180 HydrophobicContact CD1-CE2 4.08Å; Y167-Y180 AromaticContact CD1-CZ 3.65Å; Y167-Y180 WeakPolarHBondContact CD1-OH 3.49Å; Y167-Y180 HydrophobicContact CE1-CD1 4.09Å; Y167-Y180 AromaticContact CE1-CD2 4Å; Y167-Y180 HydrophobicContact CE1-CD2 4Å; Y167-Y180 AromaticContact CE1-CE1 3.6Å; Y167-Y180 HydrophobicContact CE1-CE1 3.6Å; Y167-Y180 AromaticContact CE1-CE2 3.51Å; Y167-Y180 HydrophobicContact CE1-CE2 3.51Å; Y167-Y180 HydrophobicContact CE1-CG 4.29Å; Y167-Y180 AromaticContact CE1-CZ 3.3Å; Y167-Y180 HydrophobicContact CE2-CE1 4.35Å; Y167-Y180 AromaticContact CZ-CD1 3.94Å; Y167-Y180 AromaticContact CZ-CE1 3.69Å; Y167-Y180 AromaticContact CZ-CZ 3.92Å; S175-Y180 VanDerWaalsContact CA-OH 3.26Å; S175-Y180 WeakPolarHBondContact CA-OH 3.38Å; S175-Y180 WeakPolarHBondContact CB-OH 3.47Å; S175-Y180 VanDerWaalsContact O-CE2 3.3Å; S175-Y180 WeakPolarHBondContact O-CE2 3.45Å; S175-Y180 PolarHBondContact O-OH 3.01Å; S175-Y180 VanDerWaalsContact O-OH 3.06Å; W178-Y180 HydrophobicContact CB-CE2 4.35Å; W178-Y180 AromaticContact CD1-CD1 3.71Å; W178-Y180 AromaticContact CD1-CE1 3.78Å; W178-Y180 AromaticContact CD1-CG 3.96Å
181	E	93.1	Very high	91.8	Very high	176 Å²	176	94.2 Å²	94.2	82%	0.822	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-39.2	179	-65.9	-176.9	177.7	0	0	111.4	D179	D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.32Å
182	N	94.5	Very high	91.9	Very high	102 Å²	102	90.9 Å²	90.9	55%	0.545	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	3.4	-173.7	-62.6	-60.9	0	0	0	113.9	D179 R184	D179-N182 PolarHBondContact O-N 2.75Å; D179-N182 PolarHBondContact OD2-ND2 3.33Å; N182-R184 VanDerWaalsContact C-N 3.29Å; N182-R184 HydrophobicContact CB-CG 3.79Å; N182-R184 PolarHBondContact O-N 2.84Å
183	N	91.1	Very high	92	Very high	116 Å²	116	89.2 Å²	89.2	62%	0.62	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	48.3	-176.5	-70.2	-45.4	0	0	0	113.4	W178 D179	W178-N183 WeakPolarHBondContact CH2-O 3.18Å; W178-N183 HydrophobicContact CZ2-CB 4.2Å; W178-N183 WeakPolarHBondContact CZ2-O 3.11Å; D179-N183 WeakPolarHBondContact O-CA 3.49Å; D179-N183 PolarHBondContact O-N 3.34Å
184	R	93.9	Very high	92.1	Very high	129 Å²	129	95 Å²	95	49%	0.487	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.1	180	60.6	-173.4	-75.4	-87.9	-1.5	111.3	D179 N182	D179-R184 WeakPolarHBondContact CA-O 3.32Å; D179-R184 HydrophobicContact CB-CG 4.27Å; D179-R184 VanDerWaalsContact CB-O 3.23Å; D179-R184 WeakPolarHBondContact CB-O 3.48Å; D179-R184 PolarHBondContact N-O 3.24Å; D179-R184 PolarHBondContact O-N 3.39Å; N182-R184 VanDerWaalsContact C-N 3.29Å; N182-R184 HydrophobicContact CB-CG 3.79Å; N182-R184 PolarHBondContact O-N 2.84Å
185	W	92.8	Very high	92.3	Very high	110 Å²	110	92 Å²	92	42%	0.417	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.4	168.8	-64.9	104.6	0	0	0	110.5	L160 I164 Y174 K177 W178 A187	L160-W185 HydrophobicContact CD1-CH2 4.25Å; L160-W185 HydrophobicContact CD1-CZ2 4.07Å; L160-W185 HydrophobicContact CD2-CH2 4.07Å; L160-W185 HydrophobicContact CD2-CZ2 3.64Å; L160-W185 HydrophobicContact CG-CH2 4.46Å; L160-W185 HydrophobicContact CG-CZ2 4.36Å; I164-W185 HydrophobicContact CD1-CH2 3.88Å; I164-W185 HydrophobicContact CD1-CZ2 4.15Å; Y174-W185 HydrophobicContact CD1-CH2 4.47Å; K177-W185 HydrophobicContact CB-CE3 4.1Å; K177-W185 HydrophobicContact CB-CZ3 4.18Å; W178-W185 HydrophobicContact CB-CZ3 4.46Å; W178-W185 AromaticContact CE3-CD2 3.49Å; W178-W185 HydrophobicContact CE3-CD2 3.49Å; W178-W185 VanDerWaalsContact CE3-CD2 3.49Å; W178-W185 AromaticContact CE3-CE2 3.64Å; W178-W185 AromaticContact CE3-CE3 3.74Å; W178-W185 HydrophobicContact CE3-CE3 3.74Å; W178-W185 AromaticContact CE3-CG 3.89Å; W178-W185 HydrophobicContact CE3-CG 3.89Å; W178-W185 HydrophobicContact CE3-CH2 4.26Å; W178-W185 HydrophobicContact CE3-CZ2 4.06Å; W178-W185 HydrophobicContact CE3-CZ3 4.1Å; W178-W185 AromaticContact CZ3-CD1 3.63Å; W178-W185 AromaticContact CZ3-CD2 3.73Å; W178-W185 HydrophobicContact CZ3-CD2 3.73Å; W178-W185 AromaticContact CZ3-CE2 3.57Å; W178-W185 HydrophobicContact CZ3-CE3 4.44Å; W178-W185 AromaticContact CZ3-CG 3.79Å; W178-W185 HydrophobicContact CZ3-CG 3.79Å; W178-W185 HydrophobicContact CZ3-CZ2 4.19Å; W178-W185 AromaticContact CZ3-NE1 3.5Å; W185-A187 PolarHBondContact O-N 2.6Å
186	K	91.5	Very high	92.4	Very high	109 Å²	109	99.3 Å²	99.3	47%	0.474	50%	0.502	S	S	.	.			trans	-63.5	130	168.4	-64.6	176	-172.9	164.5	0	107.9	S176 K177 W178 D179	S176-K186 PolarHBondContact O-NZ 3.41Å; K177-K186 WeakPolarHBondContact O-CB 3.46Å; K177-K186 WeakPolarHBondContact O-CG 3.49Å; K177-K186 PolarHBondContact O-N 3.4Å; W178-K186 VanDerWaalsContact O-CE 3.23Å; W178-K186 WeakPolarHBondContact O-CE 3.45Å; W178-K186 PolarHBondContact O-NZ 3.38Å; D179-K186 HydrophobicContact CB-CG 3.89Å
187	A	86.2	Confident	92.3	Very high	156 Å²	156	104.6 Å²	104.6	100%	1.289	52%	0.522	S	S	*	.			trans	-69.1	0	175.6	0	0	0	0	0	111.1	W185	W185-A187 PolarHBondContact O-N 2.6Å

Retrieved 187 of 187 residues in 46.3 ms (Link to these results)

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