A0A087XCJ5_POEFO Loading...

Regulator of G protein signaling 13

AlphaFold DB , UniProt , Accession A0A087XCJ5, Species POEFO (Poecilia formosa, Amazon molly), 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	50.1	Low	41.9	Very low	225 Å²	225	143.3 Å²	143.3	100%	1.108	83%	0.833	S	S	*	*				0	106.4	0	-76.9	-72.3	159.1	0	0	107
2	P	41	Very low	41.6	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	83%	0.826	S	S	*	*				-135.5	147.7	100.5	33.2	-19	0	0	0	114
3	S	46.5	Very low	41.1	Very low	102 Å²	102	145 Å²	145	71%	0.713	82%	0.815	S	S	*	*			trans	-76.1	142.5	168.6	-52.1	0	0	0	0	110.8
4	I	44	Very low	40.3	Very low	152 Å²	152	147.2 Å²	147.2	78%	0.779	81%	0.812	S	S	*	*			trans	-152.2	109.4	147.7	-83.5	122.1	0	0	0	110.1
5	K	38.4	Very low	40.6	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	80%	0.803	S	S	*	*			trans	46.8	111.1	139	-56.2	-178	-179.6	-179.7	0	120.2
6	A	42.7	Very low	40.4	Very low	104 Å²	104	148 Å²	148	86%	0.86	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.9	129.7	157.3	0	0	0	0	0	110.3
7	E	40.1	Very low	40.3	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-80.9	142.1	167.7	-72.6	-174.6	147.2	0	0	110.6
8	P	46.3	Very low	40.6	Very low	111 Å²	111	149.5 Å²	149.5	72%	0.721	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.6	148.5	173	31.7	-31	0	0	0	110.9	S10	P8-S10 PolarHBondContact O-N 3Å
9	P	36.6	Very low	40.8	Very low	124 Å²	124	147.7 Å²	147.7	81%	0.805	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.2	132.5	177.9	27.8	-31.1	0	0	0	110.3	T11	P9-T11 PolarHBondContact O-N 2.86Å
10	S	36.3	Very low	41.1	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-60.6	123	-179.1	-49.5	0	0	0	0	111.6	P8 H12	P8-S10 PolarHBondContact O-N 3Å; S10-H12 PolarHBondContact O-N 2.75Å; S10-H12 VanDerWaalsContact O-N 3.14Å
11	T	38.6	Very low	41.4	Very low	133 Å²	133	145.7 Å²	145.7	82%	0.816	76%	0.763	S	S	*	*			trans	-62.5	109.2	170.6	-48.9	0	0	0	0	109.3	P9 H13	P9-T11 PolarHBondContact O-N 2.86Å; T11-H13 VanDerWaalsContact C-N 3.31Å; T11-H13 PolarHBondContact O-N 3.29Å
12	H	38.7	Very low	41.2	Very low	160 Å²	160	139.8 Å²	139.8	74%	0.741	74%	0.736	S	S	*	*			trans	-67.9	93.5	168.4	-140.8	-78	0	0	0	107.8	S10 F14	S10-H12 PolarHBondContact O-N 2.75Å; S10-H12 VanDerWaalsContact O-N 3.14Å; H12-F14 PolarHBondContact O-N 2.69Å
13	H	35.6	Very low	41.6	Very low	149 Å²	149	143 Å²	143	69%	0.69	73%	0.732	S	S	*	*			trans	-65.9	101.7	170.6	-169.7	63.3	0	0	0	107.4	T11 I15	T11-H13 VanDerWaalsContact C-N 3.31Å; T11-H13 PolarHBondContact O-N 3.29Å; H13-I15 VanDerWaalsContact C-N 3.27Å; H13-I15 VanDerWaalsContact CD2-CG1 3.48Å; H13-I15 WeakPolarHBondContact CD2-CG1 3.5Å; H13-I15 PolarHBondContact O-N 2.68Å
14	F	29.7	Very low	41.6	Very low	176 Å²	176	142 Å²	142	77%	0.772	72%	0.719	S	S	*	*			trans	-66.3	91.8	166.7	-77.9	-88.3	0	0	0	107.9	H12 M16	H12-F14 PolarHBondContact O-N 2.69Å; F14-M16 PolarHBondContact O-N 2.77Å; F14-M16 VanDerWaalsContact O-N 3.08Å
15	I	44	Very low	42	Very low	131 Å²	131	136.9 Å²	136.9	67%	0.672	69%	0.693	S	S	*	*			trans	-67.4	100.7	163.3	-60.1	175	0	0	0	105.4	H13 D17	H13-I15 VanDerWaalsContact C-N 3.27Å; H13-I15 VanDerWaalsContact CD2-CG1 3.48Å; H13-I15 WeakPolarHBondContact CD2-CG1 3.5Å; H13-I15 PolarHBondContact O-N 2.68Å; I15-D17 PolarHBondContact O-N 3.14Å
16	M	37.9	Very low	42.8	Very low	176 Å²	176	131.2 Å²	131.2	87%	0.867	68%	0.675	S	S	*	*			trans	-69.7	121.4	167.3	-74.3	-175.6	126.7	0	0	108.5	F14	F14-M16 PolarHBondContact O-N 2.77Å; F14-M16 VanDerWaalsContact O-N 3.08Å
17	D	38.8	Very low	43.5	Very low	105 Å²	105	131.9 Å²	131.9	56%	0.561	66%	0.663	S	S	*	*			trans	-49.7	134.8	-172.6	-85.1	-65.3	0	0	0	114.6	I15 D19	I15-D17 PolarHBondContact O-N 3.14Å; D17-D19 PolarHBondContact O-N 2.77Å
18	R	45	Very low	44.4	Very low	218 Å²	218	123.3 Å²	123.3	82%	0.823	63%	0.625	S	S	*	*	H	α-helix	trans	-70.8	-18	168.5	-130.9	177.8	-162.5	-171.3	4.1	111.7
19	D	45.6	Very low	45.1	Very low	115 Å²	115	123.7 Å²	123.7	62%	0.615	62%	0.615	S	S	*	*	H	α-helix	trans	-79.7	-33.3	-170.2	-78.8	-19.9	0	0	0	114.3	D17 R21 N22 R23	D17-D19 PolarHBondContact O-N 2.77Å; D19-R21 VanDerWaalsContact C-N 3.31Å; D19-R21 PolarHBondContact O-N 3.14Å; D19-N22 PolarHBondContact O-N 3.44Å; D19-R23 PolarHBondContact O-N 2.81Å; D19-R23 VanDerWaalsContact O-N 3.14Å
20	D	46.6	Very low	46.6	Very low	101 Å²	101	122.1 Å²	122.1	54%	0.54	60%	0.6	S	S	.	*	H	α-helix	trans	-66.5	-35.8	175.4	-85.3	-25.8	0	0	0	112	N22 R23 N24	D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.04Å; D20-R23 PolarHBondContact O-N 3.46Å; D20-N24 WeakPolarHBondContact O-CB 3.45Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 3.34Å
21	R	46.4	Very low	48.3	Very low	153 Å²	153	118 Å²	118	58%	0.577	57%	0.567	S	S	*	*	H	α-helix	trans	-63.2	-37	176.6	-144.5	-172.5	-54.4	-130.3	0.6	111.6	D19 N25	D19-R21 VanDerWaalsContact C-N 3.31Å; D19-R21 PolarHBondContact O-N 3.14Å; R21-N25 VanDerWaalsContact O-CB 3.25Å; R21-N25 WeakPolarHBondContact O-CB 3.27Å; R21-N25 PolarHBondContact O-N 3.26Å
22	N	45.9	Very low	49.8	Very low	101 Å²	101	112.1 Å²	112.1	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-75	-38.3	-179.8	-153.2	23.2	0	0	0	111.7	D19 D20 N25 T26	D19-N22 PolarHBondContact O-N 3.44Å; D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.04Å; N22-N25 PolarHBondContact O-N 3.4Å; N22-T26 PolarHBondContact O-N 3.41Å; N22-T26 PolarHBondContact O-OG1 3.02Å; N22-T26 VanDerWaalsContact O-OG1 3.11Å
23	R	49.4	Very low	51.1	Low	189 Å²	189	108 Å²	108	71%	0.713	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-44.6	171.5	-88.8	-177.5	173.1	176	-0.3	112.5	D19 D20 N25 T26 L27	D19-R23 PolarHBondContact O-N 2.81Å; D19-R23 VanDerWaalsContact O-N 3.14Å; D20-R23 PolarHBondContact O-N 3.46Å; R23-N25 VanDerWaalsContact C-N 3.31Å; R23-N25 PolarHBondContact O-N 3.49Å; R23-T26 PolarHBondContact O-N 3.41Å; R23-L27 WeakPolarHBondContact O-CB 3.35Å; R23-L27 PolarHBondContact O-N 2.95Å
24	N	46.1	Very low	52.7	Low	82 Å²	82	109.6 Å²	109.6	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-65.2	-35.2	176.7	-71.8	-12.6	0	0	0	111.8	D20 L27 G28	D20-N24 WeakPolarHBondContact O-CB 3.45Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 3.34Å; N24-L27 PolarHBondContact O-N 3Å; N24-G28 PolarHBondContact O-N 3.22Å
25	N	52.5	Low	54.7	Low	45 Å²	45	101.2 Å²	101.2	24%	0.241	48%	0.482	C	S	.	.	H	α-helix	trans	-65.8	-43.3	174.5	-167	10.9	0	0	0	112.2	R21 N22 R23 K29	R21-N25 VanDerWaalsContact O-CB 3.25Å; R21-N25 WeakPolarHBondContact O-CB 3.27Å; R21-N25 PolarHBondContact O-N 3.26Å; N22-N25 PolarHBondContact O-N 3.4Å; R23-N25 VanDerWaalsContact C-N 3.31Å; R23-N25 PolarHBondContact O-N 3.49Å; N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 VanDerWaalsContact O-CG 3.28Å; N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-N 3.32Å; N25-K29 VanDerWaalsContact OD1-CE 3.29Å; N25-K29 WeakPolarHBondContact OD1-CE 3.44Å
26	T	56.2	Low	55.8	Low	75 Å²	75	98.3 Å²	98.3	46%	0.46	47%	0.465	S	S	.	.	H	α-helix	trans	-66.7	-41.4	174.6	-51.4	0	0	0	0	112	N22 R23 K29 N30	N22-T26 PolarHBondContact O-N 3.41Å; N22-T26 PolarHBondContact O-OG1 3.02Å; N22-T26 VanDerWaalsContact O-OG1 3.11Å; R23-T26 PolarHBondContact O-N 3.41Å; T26-K29 PolarHBondContact O-N 3.19Å; T26-N30 WeakPolarHBondContact O-CB 3.17Å; T26-N30 VanDerWaalsContact O-CG 3.28Å; T26-N30 PolarHBondContact O-N 3.02Å; T26-N30 PolarHBondContact O-ND2 3.32Å
27	L	57.3	Low	57.1	Low	118 Å²	118	93.1 Å²	93.1	62%	0.618	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-42.5	177.1	-172.3	64.1	0	0	0	111.5	R23 N24 N30 F31	R23-L27 WeakPolarHBondContact O-CB 3.35Å; R23-L27 PolarHBondContact O-N 2.95Å; N24-L27 PolarHBondContact O-N 3Å; L27-N30 PolarHBondContact O-N 3.15Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.23Å; L27-F31 PolarHBondContact O-N 2.97Å
28	G	59.2	Low	58.4	Low	5 Å²	5	93.3 Å²	93.3	5%	0.052	44%	0.444	C	S	.	.	H	α-helix	trans	-59.9	-50	173.9	0	0	0	0	0	112	N24 N30 F31 M32	N24-G28 PolarHBondContact O-N 3.22Å; G28-N30 PolarHBondContact O-N 3.39Å; G28-F31 WeakPolarHBondContact O-CB 3.48Å; G28-F31 PolarHBondContact O-N 3.49Å; G28-M32 WeakPolarHBondContact O-CB 3.47Å; G28-M32 VanDerWaalsContact O-CG 3.26Å; G28-M32 WeakPolarHBondContact O-CG 3.24Å; G28-M32 PolarHBondContact O-N 3.36Å
29	K	61.6	Low	59.3	Low	119 Å²	119	84.7 Å²	84.7	52%	0.517	41%	0.413	S	S	.	.	H	α-helix	trans	-59.8	-44.1	177	-74	173.8	178	179	0	112.9	N25 T26 M32 C33 T175	N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 VanDerWaalsContact O-CG 3.28Å; N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-N 3.32Å; N25-K29 VanDerWaalsContact OD1-CE 3.29Å; N25-K29 WeakPolarHBondContact OD1-CE 3.44Å; T26-K29 PolarHBondContact O-N 3.19Å; K29-M32 PolarHBondContact O-N 3.01Å; K29-C33 WeakPolarHBondContact O-CB 3.43Å; K29-C33 PolarHBondContact O-N 2.95Å; K29-T175 HydrophobicContact CG-CG2 4.02Å
30	N	68.4	Low	59.8	Low	92 Å²	92	84 Å²	84	49%	0.492	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.4	-73.2	-25.1	0	0	0	112.1	T26 L27 G28 R34	T26-N30 WeakPolarHBondContact O-CB 3.17Å; T26-N30 VanDerWaalsContact O-CG 3.28Å; T26-N30 PolarHBondContact O-N 3.02Å; T26-N30 PolarHBondContact O-ND2 3.32Å; L27-N30 PolarHBondContact O-N 3.15Å; G28-N30 PolarHBondContact O-N 3.39Å; N30-R34 VanDerWaalsContact O-CG 3.29Å; N30-R34 WeakPolarHBondContact O-CG 3.47Å; N30-R34 PolarHBondContact O-N 3.27Å
31	F	70.4	Confident	60	Low	36 Å²	36	86.8 Å²	86.8	16%	0.158	43%	0.427	C	S	.	.	H	α-helix	trans	-64.2	-44.9	173.7	172.9	-99.8	0	0	0	111.4	L27 G28 R34 L35 T74 N77	L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.23Å; L27-F31 PolarHBondContact O-N 2.97Å; G28-F31 WeakPolarHBondContact O-CB 3.48Å; G28-F31 PolarHBondContact O-N 3.49Å; F31-R34 CarbonylContact O-C 3.07Å; F31-R34 WeakPolarHBondContact O-CB 3.47Å; F31-R34 PolarHBondContact O-N 3.19Å; F31-L35 HydrophobicContact CE1-CD2 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.12Å; F31-L35 HydrophobicContact CZ-CD2 4.48Å; F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.49Å; F31-T74 HydrophobicContact CE1-CG2 4.24Å; F31-N77 HydrophobicContact CD2-CB 4.48Å; F31-N77 HydrophobicContact CE1-CB 4.18Å; F31-N77 HydrophobicContact CE2-CB 3.62Å; F31-N77 HydrophobicContact CZ-CB 3.43Å; F31-N77 VanDerWaalsContact CZ-CB 3.43Å
32	M	69.8	Low	59.9	Low	9 Å²	9	82.5 Å²	82.5	4%	0.044	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-42.5	-179	-69.6	-44.2	-50.1	0	0	112.6	G28 K29 R34 L35 Q36 L50 L176	G28-M32 WeakPolarHBondContact O-CB 3.47Å; G28-M32 VanDerWaalsContact O-CG 3.26Å; G28-M32 WeakPolarHBondContact O-CG 3.24Å; G28-M32 PolarHBondContact O-N 3.36Å; K29-M32 PolarHBondContact O-N 3.01Å; M32-R34 VanDerWaalsContact C-N 3.29Å; M32-R34 PolarHBondContact O-N 2.98Å; M32-L35 HydrophobicContact CE-CB 4.39Å; M32-L35 HydrophobicContact CE-CD2 3.71Å; M32-L35 WeakPolarHBondContact O-CB 3.24Å; M32-L35 PolarHBondContact O-N 3.42Å; M32-L35 VanDerWaalsContact O-N 3.12Å; M32-L35 HydrophobicContact SD-CD2 4.35Å; M32-Q36 PolarHBondContact O-N 3.36Å; M32-L50 HydrophobicContact CE-CD2 4.5Å; M32-L176 HydrophobicContact CE-CB 4.43Å; M32-L176 HydrophobicContact CE-CD1 3.22Å; M32-L176 HydrophobicContact CE-CD2 3.92Å; M32-L176 HydrophobicContact CE-CG 4.02Å; M32-L176 HydrophobicContact SD-CB 4.37Å; M32-L176 HydrophobicContact SD-CD1 4.17Å; M32-L176 HydrophobicContact SD-CD2 4.43Å
33	C	67.1	Low	59.7	Low	73 Å²	73	84 Å²	84	49%	0.493	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-41.7	174.8	-168.2	0	0	0	0	110.8	K29 C37	K29-C33 WeakPolarHBondContact O-CB 3.43Å; K29-C33 PolarHBondContact O-N 2.95Å; C33-C37 PolarHBondContact O-N 3.49Å; C33-C37 PolarHBondContact O-SG 3.16Å; C33-C37 VanDerWaalsContact O-SG 3.34Å
34	R	69.9	Low	59.2	Low	182 Å²	182	84.1 Å²	84.1	69%	0.687	44%	0.441	S	S	*	.	H	α-helix	trans	-64.4	-40.9	172.4	-72.9	175.9	-177.7	-163.8	1.2	112.5	N30 F31 M32 C37 M38	N30-R34 VanDerWaalsContact O-CG 3.29Å; N30-R34 WeakPolarHBondContact O-CG 3.47Å; N30-R34 PolarHBondContact O-N 3.27Å; F31-R34 CarbonylContact O-C 3.07Å; F31-R34 WeakPolarHBondContact O-CB 3.47Å; F31-R34 PolarHBondContact O-N 3.19Å; M32-R34 VanDerWaalsContact C-N 3.29Å; M32-R34 PolarHBondContact O-N 2.98Å; R34-C37 PolarHBondContact O-N 2.96Å; R34-M38 WeakPolarHBondContact O-CB 3.49Å; R34-M38 VanDerWaalsContact O-CG 3.23Å; R34-M38 WeakPolarHBondContact O-CG 3.47Å; R34-M38 PolarHBondContact O-N 2.84Å
35	L	70.1	Confident	58.6	Low	1 Å²	1	85.2 Å²	85.2	1%	0.005	46%	0.455	C	S	.	.	H	α-helix	trans	-62.9	-45.1	179.7	-164.3	71.2	0	0	0	111.1	F31 M32 M38 F39 Y70 A73 T74	F31-L35 HydrophobicContact CE1-CD2 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.12Å; F31-L35 HydrophobicContact CZ-CD2 4.48Å; F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.49Å; M32-L35 HydrophobicContact CE-CB 4.39Å; M32-L35 HydrophobicContact CE-CD2 3.71Å; M32-L35 WeakPolarHBondContact O-CB 3.24Å; M32-L35 PolarHBondContact O-N 3.42Å; M32-L35 VanDerWaalsContact O-N 3.12Å; M32-L35 HydrophobicContact SD-CD2 4.35Å; L35-M38 HydrophobicContact CB-CE 4.5Å; L35-M38 HydrophobicContact CD1-CE 3.78Å; L35-M38 PolarHBondContact O-N 3.26Å; L35-F39 HydrophobicContact CD1-CD2 4.2Å; L35-F39 HydrophobicContact CD1-CE2 3.52Å; L35-F39 HydrophobicContact CD1-CZ 4.4Å; L35-F39 HydrophobicContact CG-CD2 4.13Å; L35-F39 HydrophobicContact CG-CE2 3.9Å; L35-F39 WeakPolarHBondContact O-CD2 3.35Å; L35-F39 PolarHBondContact O-N 2.95Å; L35-Y70 HydrophobicContact CD2-CD1 4.16Å; L35-Y70 HydrophobicContact CG-CD1 4.2Å; L35-A73 HydrophobicContact CD1-CB 3.78Å; L35-T74 WeakPolarHBondContact CD2-OG1 3.49Å
36	Q	67.7	Low	57.9	Low	70 Å²	70	88.3 Å²	88.3	33%	0.327	48%	0.48	S	S	.	.	H	α-helix	trans	-59.7	-52.1	173.6	-74.9	172.1	-18.8	0	0	110.6	M32 M38 F39 S40	M32-Q36 PolarHBondContact O-N 3.36Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.34Å; Q36-F39 PolarHBondContact O-N 3.44Å; Q36-F39 VanDerWaalsContact O-N 3.1Å; Q36-S40 PolarHBondContact O-N 3.34Å; Q36-S40 PolarHBondContact O-OG 3.01Å
37	C	65.7	Low	57.2	Low	66 Å²	66	94.4 Å²	94.4	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-39.2	178.1	-70.6	0	0	0	0	113.7	C33 R34 F39	C33-C37 PolarHBondContact O-N 3.49Å; C33-C37 PolarHBondContact O-SG 3.16Å; C33-C37 VanDerWaalsContact O-SG 3.34Å; R34-C37 PolarHBondContact O-N 2.96Å; C37-F39 PolarHBondContact O-N 3.2Å
38	M	65.3	Low	56.9	Low	109 Å²	109	93.1 Å²	93.1	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-26.8	178.8	-80.5	-170	-59.8	0	0	112.6	R34 L35 Q36	R34-M38 WeakPolarHBondContact O-CB 3.49Å; R34-M38 VanDerWaalsContact O-CG 3.23Å; R34-M38 WeakPolarHBondContact O-CG 3.47Å; R34-M38 PolarHBondContact O-N 2.84Å; L35-M38 HydrophobicContact CB-CE 4.5Å; L35-M38 HydrophobicContact CD1-CE 3.78Å; L35-M38 PolarHBondContact O-N 3.26Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.34Å
39	F	63.8	Low	57.1	Low	38 Å²	38	95.6 Å²	95.6	17%	0.167	53%	0.529	C	S	.	.	H	α-helix	trans	-107.7	-17	-176.7	-63.4	-50.8	0	0	0	114.3	L35 Q36 C37 Q41 T42 K69 Y70 A73	L35-F39 HydrophobicContact CD1-CD2 4.2Å; L35-F39 HydrophobicContact CD1-CE2 3.52Å; L35-F39 HydrophobicContact CD1-CZ 4.4Å; L35-F39 HydrophobicContact CG-CD2 4.13Å; L35-F39 HydrophobicContact CG-CE2 3.9Å; L35-F39 WeakPolarHBondContact O-CD2 3.35Å; L35-F39 PolarHBondContact O-N 2.95Å; Q36-F39 PolarHBondContact O-N 3.44Å; Q36-F39 VanDerWaalsContact O-N 3.1Å; C37-F39 PolarHBondContact O-N 3.2Å; F39-Q41 PolarHBondContact O-N 3.31Å; F39-T42 PolarHBondContact O-OG1 3.11Å; F39-K69 HydrophobicContact CD1-CD 3.83Å; F39-K69 VanDerWaalsContact CD1-CE 3.4Å; F39-K69 HydrophobicContact CE1-CD 3.68Å; F39-K69 HydrophobicContact CE1-CG 4Å; F39-K69 HydrophobicContact CG-CD 4.47Å; F39-K69 HydrophobicContact CZ-CD 4.17Å; F39-K69 HydrophobicContact CZ-CG 4.02Å; F39-Y70 HydrophobicContact CB-CE1 3.69Å; F39-Y70 VanDerWaalsContact CB-OH 3.27Å; F39-Y70 WeakPolarHBondContact CB-OH 3.31Å; F39-Y70 AromaticContact CD2-CD1 3.46Å; F39-Y70 HydrophobicContact CD2-CD1 3.46Å; F39-Y70 VanDerWaalsContact CD2-CD1 3.46Å; F39-Y70 AromaticContact CD2-CE1 3.24Å; F39-Y70 HydrophobicContact CD2-CE1 3.24Å; F39-Y70 HydrophobicContact CD2-CG 4.3Å; F39-Y70 AromaticContact CD2-CZ 3.92Å; F39-Y70 AromaticContact CE2-CD1 3.9Å; F39-Y70 HydrophobicContact CE2-CD1 3.9Å; F39-Y70 HydrophobicContact CE2-CE1 4.14Å; F39-Y70 HydrophobicContact CE2-CG 4.5Å; F39-Y70 HydrophobicContact CG-CD1 4.4Å; F39-Y70 AromaticContact CG-CE1 3.83Å; F39-Y70 HydrophobicContact CG-CE1 3.83Å; F39-A73 HydrophobicContact CE2-CB 4.27Å; F39-A73 HydrophobicContact CZ-CB 4.25Å
40	S	57.3	Low	57.8	Low	100 Å²	100	90.9 Å²	90.9	70%	0.699	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-20.4	169.3	-56.4	0	0	0	0	113.9	Q36	Q36-S40 PolarHBondContact O-N 3.34Å; Q36-S40 PolarHBondContact O-OG 3.01Å
41	Q	49.1	Very low	58.5	Low	160 Å²	160	88.8 Å²	88.8	75%	0.748	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	0.5	-175	-62.4	179.2	29.2	0	0	114.2	F39 P43	F39-Q41 PolarHBondContact O-N 3.31Å; Q41-P43 WeakPolarHBondContact O-CD 3.42Å
42	T	45.2	Very low	59.1	Low	63 Å²	63	89.2 Å²	89.2	39%	0.387	51%	0.506	S	S	.	.			trans	-84.5	115.7	179.1	35.9	0	0	0	0	111.8	F39 Q44	F39-T42 PolarHBondContact O-OG1 3.11Å; T42-Q44 PolarHBondContact O-N 2.98Å
43	P	42.5	Very low	59.8	Low	133 Å²	133	95 Å²	95	86%	0.864	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	24.4	-168.8	32.2	-32.4	0	0	0	114.6	Q41	Q41-P43 WeakPolarHBondContact O-CD 3.42Å
44	Q	39.2	Very low	60.7	Low	190 Å²	190	95.2 Å²	95.2	89%	0.888	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	16.4	-168.8	-122.9	-176.3	2.6	0	0	115.8	T42	T42-Q44 PolarHBondContact O-N 2.98Å
45	C	32.5	Very low	61.5	Low	106 Å²	106	86.6 Å²	86.6	72%	0.716	50%	0.496	S	S	*	.	S	Bend	trans	-131.1	124.2	174.5	-123.5	0	0	0	0	109.6	E47	C45-E47 PolarHBondContact O-N 2.95Å
46	S	37.7	Very low	62.5	Low	110 Å²	110	91 Å²	91	77%	0.769	52%	0.517	S	S	*	.			trans	-46.6	134.9	168.5	43.6	0	0	0	0	110.3	S48	S46-S48 PolarHBondContact O-N 3.27Å
47	E	41.2	Very low	63.7	Low	203 Å²	203	91.2 Å²	91.2	95%	0.949	52%	0.518	S	S	*	.	S	Bend	trans	-45.5	104.3	-178	-65.1	177	138.7	0	0	113.4	C45	C45-E47 PolarHBondContact O-N 2.95Å
48	S	50.3	Low	65.1	Low	90 Å²	90	88.2 Å²	88.2	63%	0.629	50%	0.497	S	S	*	.			trans	-149.7	110.7	145.3	40.6	0	0	0	0	107.4	S46	S46-S48 PolarHBondContact O-N 3.27Å
49	G	64.9	Low	66.5	Low	57 Å²	57	85.5 Å²	85.5	59%	0.588	49%	0.489	S	S	*	.			trans	-57.4	164.9	166.9	0	0	0	0	0	110.2	S51	G49-S51 PolarHBondContact O-N 3.47Å
50	L	76.1	Confident	68	Low	21 Å²	21	90 Å²	90	11%	0.11	51%	0.511	C	S	.	.			trans	-56.4	111.8	173	-174.3	81	0	0	0	109.6	M32 W58 Y70 L176 L180	M32-L50 HydrophobicContact CE-CD2 4.5Å; L50-W58 HydrophobicContact CD1-CH2 3.88Å; L50-W58 HydrophobicContact CD1-CZ2 3.65Å; L50-Y70 HydrophobicContact CB-CD1 4.46Å; L50-Y70 HydrophobicContact CB-CE1 4.37Å; L50-Y70 VanDerWaalsContact CD1-CB 3.44Å; L50-Y70 HydrophobicContact CD1-CD1 4Å; L50-Y70 HydrophobicContact CD1-CD2 3.76Å; L50-Y70 HydrophobicContact CD1-CE2 4.47Å; L50-Y70 HydrophobicContact CD1-CG 3.5Å; L50-L176 HydrophobicContact CD2-CD1 3.46Å; L50-L176 VanDerWaalsContact CD2-CD1 3.46Å; L50-L176 HydrophobicContact CD2-CD2 4.11Å; L50-L176 HydrophobicContact CD2-CG 4.21Å; L50-L180 HydrophobicContact CD2-CD1 3.79Å; L50-L180 HydrophobicContact CD2-CD2 4.28Å; L50-L180 HydrophobicContact CD2-CG 4.49Å; L50-L180 HydrophobicContact CG-CD1 4.07Å; L50-L180 WeakPolarHBondContact O-CD2 3.5Å
51	S	82.1	Confident	69.8	Low	48 Å²	48	86.8 Å²	86.8	34%	0.336	49%	0.488	S	S	.	.			trans	-90.3	152.6	177.2	176.9	0	0	0	0	111.5	G49 E53 D54 T55	G49-S51 PolarHBondContact O-N 3.47Å; S51-E53 VanDerWaalsContact C-N 3.27Å; S51-E53 PolarHBondContact O-N 3.13Å; S51-E53 PolarHBondContact OG-N 2.78Å; S51-D54 PolarHBondContact O-N 3.49Å; S51-T55 WeakPolarHBondContact O-CB 3.27Å; S51-T55 PolarHBondContact O-N 3.01Å; S51-T55 PolarHBondContact O-OG1 2.94Å
52	L	84.1	Confident	72.1	Confident	45 Å²	45	79.1 Å²	79.1	24%	0.236	45%	0.452	C	S	.	.	H	α-helix	trans	-57.6	-43.4	169.9	179.6	63.2	0	0	0	110.8	T55 Q56 L177 L180 A181	L52-T55 PolarHBondContact O-N 2.65Å; L52-Q56 WeakPolarHBondContact O-CG 3.4Å; L52-Q56 PolarHBondContact O-N 3.41Å; L52-L177 HydrophobicContact CD1-CD2 3.76Å; L52-L180 HydrophobicContact CB-CB 4.02Å; L52-L180 HydrophobicContact CD1-CB 4.01Å; L52-A181 HydrophobicContact CD1-CB 4.49Å; L52-A181 HydrophobicContact CD2-CB 4.13Å
53	E	84	Confident	74.5	Confident	130 Å²	130	81.7 Å²	81.7	61%	0.607	46%	0.46	S	S	*	.	H	α-helix	trans	-63.2	-46.6	-179.3	-174.2	174	-173	0	0	111.3	S51 T55 Q56 Q57	S51-E53 VanDerWaalsContact C-N 3.27Å; S51-E53 PolarHBondContact O-N 3.13Å; S51-E53 PolarHBondContact OG-N 2.78Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 3.38Å; E53-Q56 WeakPolarHBondContact O-CB 3.48Å; E53-Q56 PolarHBondContact O-N 3.28Å; E53-Q57 WeakPolarHBondContact O-CG 3.24Å; E53-Q57 PolarHBondContact O-N 3.48Å
54	D	85.2	Confident	77	Confident	78 Å²	78	81.6 Å²	81.6	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-39.1	175.9	-71.5	-27.9	0	0	0	111.9	S51 Q57 W58	S51-D54 PolarHBondContact O-N 3.49Å; D54-Q57 WeakPolarHBondContact O-CB 3.48Å; D54-Q57 PolarHBondContact O-N 3.32Å; D54-W58 PolarHBondContact O-NE1 2.89Å
55	T	88.3	Confident	79.7	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-71.4	-32.5	-179.9	-54.9	0	0	0	0	111.7	S51 L52 E53 Q57 W58 Y173 L176 L177 L180	S51-T55 WeakPolarHBondContact O-CB 3.27Å; S51-T55 PolarHBondContact O-N 3.01Å; S51-T55 PolarHBondContact O-OG1 2.94Å; L52-T55 PolarHBondContact O-N 2.65Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 3.38Å; T55-Q57 VanDerWaalsContact C-N 3.3Å; T55-W58 HydrophobicContact CG2-CD2 4.27Å; T55-W58 HydrophobicContact CG2-CE3 3.97Å; T55-W58 HydrophobicContact CG2-CH2 4.18Å; T55-W58 HydrophobicContact CG2-CZ2 4.47Å; T55-W58 HydrophobicContact CG2-CZ3 3.93Å; T55-W58 WeakPolarHBondContact O-CB 3.35Å; T55-W58 PolarHBondContact O-N 3.31Å; T55-Y173 HydrophobicContact CG2-CD2 4.44Å; T55-Y173 HydrophobicContact CG2-CE2 3.77Å; T55-Y173 PolarHBondContact O-OH 3.46Å; T55-L176 HydrophobicContact CG2-CD2 3.7Å; T55-L176 HydrophobicContact CG2-CG 3.98Å; T55-L177 HydrophobicContact CG2-CD2 3.61Å; T55-L177 HydrophobicContact CG2-CG 4.24Å; T55-L180 HydrophobicContact CG2-CD1 4.29Å; T55-L180 VanDerWaalsContact OG1-CD1 3.27Å; T55-L180 WeakPolarHBondContact OG1-CD1 3.47Å
56	Q	90.8	Very high	82.7	Confident	93 Å²	93	68.2 Å²	68.2	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-28.9	173.2	-73.7	173.8	-23	0	0	112.2	L52 E53 W58 S59 L177	L52-Q56 WeakPolarHBondContact O-CG 3.4Å; L52-Q56 PolarHBondContact O-N 3.41Å; E53-Q56 WeakPolarHBondContact O-CB 3.48Å; E53-Q56 PolarHBondContact O-N 3.28Å; Q56-W58 PolarHBondContact O-N 2.86Å; Q56-S59 PolarHBondContact O-N 3Å; Q56-S59 PolarHBondContact O-OG 2.93Å; Q56-L177 HydrophobicContact CG-CD2 3.98Å
57	Q	92.2	Very high	85.4	Confident	75 Å²	75	69 Å²	69	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-23.7	175.1	-62.4	-54.7	-47.5	0	0	112.7	E53 D54 T55 S59 Q60 R64	E53-Q57 WeakPolarHBondContact O-CG 3.24Å; E53-Q57 PolarHBondContact O-N 3.48Å; D54-Q57 WeakPolarHBondContact O-CB 3.48Å; D54-Q57 PolarHBondContact O-N 3.32Å; T55-Q57 VanDerWaalsContact C-N 3.3Å; Q57-S59 PolarHBondContact O-N 3.07Å; Q57-Q60 WeakPolarHBondContact O-CB 3.42Å; Q57-Q60 PolarHBondContact O-N 2.82Å; Q57-R64 WeakPolarHBondContact O-CB 3.49Å
58	W	94.8	Very high	87.8	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.011	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.2	180	-59.5	-2	0	0	0	113.2	L50 D54 T55 Q56 Q60 L65 S68 Y164 F167 Y173 L176	L50-W58 HydrophobicContact CD1-CH2 3.88Å; L50-W58 HydrophobicContact CD1-CZ2 3.65Å; D54-W58 PolarHBondContact O-NE1 2.89Å; T55-W58 HydrophobicContact CG2-CD2 4.27Å; T55-W58 HydrophobicContact CG2-CE3 3.97Å; T55-W58 HydrophobicContact CG2-CH2 4.18Å; T55-W58 HydrophobicContact CG2-CZ2 4.47Å; T55-W58 HydrophobicContact CG2-CZ3 3.93Å; T55-W58 WeakPolarHBondContact O-CB 3.35Å; T55-W58 PolarHBondContact O-N 3.31Å; Q56-W58 PolarHBondContact O-N 2.86Å; W58-Q60 VanDerWaalsContact C-N 3.32Å; W58-L65 HydrophobicContact CB-CB 4.19Å; W58-L65 HydrophobicContact CB-CD1 3.76Å; W58-L65 HydrophobicContact CD2-CD1 3.71Å; W58-L65 HydrophobicContact CE3-CD1 3.72Å; W58-L65 HydrophobicContact CG-CD1 3.72Å; W58-S68 PolarHBondContact NE1-OG 3.04Å; W58-Y164 WeakPolarHBondContact O-CE2 3.41Å; W58-Y164 PolarHBondContact O-OH 3.31Å; W58-F167 HydrophobicContact CE3-CZ 4.28Å; W58-Y173 HydrophobicContact CB-CE2 4.18Å; W58-Y173 HydrophobicContact CD2-CE2 4.37Å; W58-Y173 AromaticContact CE3-CD2 3.94Å; W58-Y173 HydrophobicContact CE3-CD2 3.94Å; W58-Y173 AromaticContact CE3-CE2 3.66Å; W58-Y173 HydrophobicContact CE3-CE2 3.66Å; W58-Y173 HydrophobicContact CZ3-CD2 4.38Å; W58-Y173 HydrophobicContact CZ3-CE2 4.39Å; W58-L176 HydrophobicContact CH2-CD2 3.72Å; W58-L176 HydrophobicContact CZ3-CD2 3.49Å; W58-L176 VanDerWaalsContact CZ3-CD2 3.49Å
59	S	94.7	Very high	89.6	Confident	53 Å²	53	61.1 Å²	61.1	37%	0.371	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.4	177	72.5	0	0	0	0	113.6	Q56 Q57 Y164	Q56-S59 PolarHBondContact O-N 3Å; Q56-S59 PolarHBondContact O-OG 2.93Å; Q57-S59 PolarHBondContact O-N 3.07Å; S59-Y164 VanDerWaalsContact C-OH 3.22Å; S59-Y164 WeakPolarHBondContact CA-OH 3.38Å; S59-Y164 PolarHBondContact O-OH 3.46Å
60	Q	95.3	Very high	90.9	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-39.5	-178.1	-59.9	-60.4	-36.1	0	0	112.1	Q57 W58	Q57-Q60 WeakPolarHBondContact O-CB 3.42Å; Q57-Q60 PolarHBondContact O-N 2.82Å; W58-Q60 VanDerWaalsContact C-N 3.32Å
61	S	96.6	Very high	91.7	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	29%	0.29	C	S	.	.			trans	-160	158.2	171.8	69.1	0	0	0	0	111.3	E63 R64 L65 Y164	S61-E63 PolarHBondContact O-N 3.36Å; S61-R64 PolarHBondContact O-N 3.34Å; S61-R64 WeakPolarHBondContact OG-CG 3.28Å; S61-R64 PolarHBondContact OG-N 2.92Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-Y164 WeakPolarHBondContact CA-OH 3.49Å; S61-Y164 PolarHBondContact N-OH 3.06Å; S61-Y164 PolarHBondContact O-OH 3.46Å
62	L	97.1	Very high	92.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-37.5	171.8	175.8	59.9	0	0	0	110.6	R64 L65 L66 F75 Y156 M159 E160 Y164	L62-R64 PolarHBondContact O-N 3.14Å; L62-L65 HydrophobicContact CD1-CD2 3.98Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.29Å; L62-L65 VanDerWaalsContact O-N 3.14Å; L62-L66 HydrophobicContact CD1-CD1 4.16Å; L62-L66 HydrophobicContact CD1-CD2 3.97Å; L62-L66 HydrophobicContact CD1-CG 3.86Å; L62-L66 HydrophobicContact CG-CD1 4.01Å; L62-L66 HydrophobicContact CG-CG 4.12Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.19Å; L62-L66 PolarHBondContact O-N 3.43Å; L62-F75 HydrophobicContact CD1-CD1 4.35Å; L62-F75 HydrophobicContact CD1-CE1 3.85Å; L62-F75 HydrophobicContact CD1-CZ 4.13Å; L62-Y156 HydrophobicContact CB-CE2 4.25Å; L62-Y156 HydrophobicContact CD2-CD2 3.96Å; L62-Y156 HydrophobicContact CD2-CE1 4.41Å; L62-Y156 HydrophobicContact CD2-CE2 3.69Å; L62-Y156 HydrophobicContact CD2-CG 4.45Å; L62-Y156 HydrophobicContact CG-CE2 3.81Å; L62-M159 HydrophobicContact CD2-CB 3.87Å; L62-E160 HydrophobicContact CD2-CB 3.94Å; L62-Y164 HydrophobicContact CB-CD1 4.19Å; L62-Y164 HydrophobicContact CB-CD2 4.28Å; L62-Y164 HydrophobicContact CB-CE1 4.38Å; L62-Y164 HydrophobicContact CB-CE2 4.45Å; L62-Y164 HydrophobicContact CB-CG 4.14Å; L62-Y164 HydrophobicContact CD1-CD2 3.92Å; L62-Y164 HydrophobicContact CD1-CG 4.19Å
63	E	96.1	Very high	92.6	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-53.4	-51.4	174.4	-176.2	175.4	-152.5	0	0	112.4	S61 L65 L66 E67 Y156	S61-E63 PolarHBondContact O-N 3.36Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.92Å; E63-L66 PolarHBondContact O-N 2.97Å; E63-E67 WeakPolarHBondContact O-CG 3.38Å; E63-E67 PolarHBondContact O-N 3.36Å; E63-Y156 PolarHBondContact N-OH 3.17Å; E63-Y156 VanDerWaalsContact N-OH 3.17Å
64	R	94.9	Very high	93.1	Very high	132 Å²	132	51.9 Å²	51.9	50%	0.498	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-38.3	177.3	-68.9	-65.5	-168.2	175.5	5.2	112.6	Q57 S61 L62 E67 S68	Q57-R64 WeakPolarHBondContact O-CB 3.49Å; S61-R64 PolarHBondContact O-N 3.34Å; S61-R64 WeakPolarHBondContact OG-CG 3.28Å; S61-R64 PolarHBondContact OG-N 2.92Å; L62-R64 PolarHBondContact O-N 3.14Å; R64-E67 IonicContact NH1-OE2 3.87Å; R64-S68 PolarHBondContact O-N 3.03Å
65	L	95.9	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-42.7	175.5	173.8	67.6	0	0	0	111.6	W58 S61 L62 E63 S68 G71 L72 F75 Y164 F167	W58-L65 HydrophobicContact CB-CB 4.19Å; W58-L65 HydrophobicContact CB-CD1 3.76Å; W58-L65 HydrophobicContact CD2-CD1 3.71Å; W58-L65 HydrophobicContact CE3-CD1 3.72Å; W58-L65 HydrophobicContact CG-CD1 3.72Å; S61-L65 PolarHBondContact O-N 3.13Å; L62-L65 HydrophobicContact CD1-CD2 3.98Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.29Å; L62-L65 VanDerWaalsContact O-N 3.14Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-N 2.54Å; L65-G71 VanDerWaalsContact CD1-CA 3.42Å; L65-G71 CarbonylContact O-C 3.59Å; L65-G71 WeakPolarHBondContact O-CA 3.42Å; L65-L72 PolarHBondContact O-N 3.24Å; L65-L72 VanDerWaalsContact O-N 3.16Å; L65-F75 HydrophobicContact CD1-CB 4.42Å; L65-F75 HydrophobicContact CD2-CB 3.87Å; L65-F75 HydrophobicContact CD2-CD1 4.21Å; L65-F75 HydrophobicContact CD2-CD2 3.82Å; L65-F75 HydrophobicContact CD2-CE2 4.42Å; L65-F75 HydrophobicContact CD2-CG 3.71Å; L65-F75 HydrophobicContact CG-CB 4.25Å; L65-Y164 HydrophobicContact CB-CE2 4.29Å; L65-Y164 HydrophobicContact CD2-CD2 3.64Å; L65-Y164 HydrophobicContact CD2-CE2 3.71Å; L65-F167 HydrophobicContact CD1-CE1 3.67Å; L65-F167 HydrophobicContact CD1-CZ 4.02Å; L65-F167 HydrophobicContact CD2-CD1 3.79Å; L65-F167 HydrophobicContact CD2-CE1 3.7Å; L65-F167 HydrophobicContact CG-CE1 4.38Å
66	L	95.5	Very high	93.9	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-76.4	-27.1	-177.7	-61.3	-173.9	0	0	0	113.2	L62 E63 S68 L72 F75 I88 W91 Y156	L62-L66 HydrophobicContact CD1-CD1 4.16Å; L62-L66 HydrophobicContact CD1-CD2 3.97Å; L62-L66 HydrophobicContact CD1-CG 3.86Å; L62-L66 HydrophobicContact CG-CD1 4.01Å; L62-L66 HydrophobicContact CG-CG 4.12Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.19Å; L62-L66 PolarHBondContact O-N 3.43Å; E63-L66 PolarHBondContact O-N 2.97Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-L72 HydrophobicContact CD2-CD1 3.72Å; L66-F75 HydrophobicContact CD2-CD1 3.88Å; L66-F75 HydrophobicContact CD2-CE1 4.33Å; L66-I88 HydrophobicContact CD1-CD1 4.19Å; L66-I88 HydrophobicContact CD2-CD1 3.62Å; L66-W91 HydrophobicContact CB-CH2 4.37Å; L66-W91 HydrophobicContact CB-CZ3 4.4Å; L66-W91 HydrophobicContact CD1-CD2 4.21Å; L66-W91 HydrophobicContact CD1-CE3 4.03Å; L66-W91 HydrophobicContact CD1-CH2 3.89Å; L66-W91 HydrophobicContact CD1-CZ2 4.06Å; L66-W91 HydrophobicContact CD1-CZ3 3.87Å; L66-Y156 HydrophobicContact CD1-CD2 4.41Å; L66-Y156 HydrophobicContact CD1-CE2 4.19Å
67	E	92.5	Very high	94	Very high	125 Å²	125	50.4 Å²	50.4	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-67.8	-32.2	172	-74	177.5	164.1	0	0	112.2	E63 R64	E63-E67 WeakPolarHBondContact O-CG 3.38Å; E63-E67 PolarHBondContact O-N 3.36Å; R64-E67 IonicContact NH1-OE2 3.87Å
68	S	92.1	Very high	94.2	Very high	26 Å²	26	47.2 Å²	47.2	18%	0.182	23%	0.229	C	C	.	.	S	Bend	trans	-76	125	177	-179.3	0	0	0	0	111.3	W58 R64 L65 L66 Y70 G71 L72	W58-S68 PolarHBondContact NE1-OG 3.04Å; R64-S68 PolarHBondContact O-N 3.03Å; L65-S68 PolarHBondContact O-N 2.54Å; L66-S68 VanDerWaalsContact C-N 3.32Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; S68-Y70 PolarHBondContact O-N 3.28Å; S68-Y70 PolarHBondContact OG-N 3.15Å; S68-G71 PolarHBondContact O-N 3.24Å; S68-G71 PolarHBondContact OG-N 3.21Å; S68-G71 VanDerWaalsContact OG-N 3.16Å; S68-L72 VanDerWaalsContact O-CB 3.3Å; S68-L72 WeakPolarHBondContact O-CB 3.33Å; S68-L72 PolarHBondContact O-N 3.03Å
69	K	89.4	Confident	94.2	Very high	103 Å²	103	47.1 Å²	47.1	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-55.3	-42.8	173.7	-168.5	-169.6	-165.9	-167.7	0	112.2	F39 A73	F39-K69 HydrophobicContact CD1-CD 3.83Å; F39-K69 VanDerWaalsContact CD1-CE 3.4Å; F39-K69 HydrophobicContact CE1-CD 3.68Å; F39-K69 HydrophobicContact CE1-CG 4Å; F39-K69 HydrophobicContact CG-CD 4.47Å; F39-K69 HydrophobicContact CZ-CD 4.17Å; F39-K69 HydrophobicContact CZ-CG 4.02Å; K69-A73 WeakPolarHBondContact O-CB 3.2Å; K69-A73 PolarHBondContact O-N 3.24Å
70	Y	90.3	Very high	94.2	Very high	39 Å²	39	49.3 Å²	49.3	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-74.4	-40.9	178.1	-67	-88.9	0	0	0	111.5	L35 F39 L50 S68 A73 T74	L35-Y70 HydrophobicContact CD2-CD1 4.16Å; L35-Y70 HydrophobicContact CG-CD1 4.2Å; F39-Y70 HydrophobicContact CB-CE1 3.69Å; F39-Y70 VanDerWaalsContact CB-OH 3.27Å; F39-Y70 WeakPolarHBondContact CB-OH 3.31Å; F39-Y70 AromaticContact CD2-CD1 3.46Å; F39-Y70 HydrophobicContact CD2-CD1 3.46Å; F39-Y70 VanDerWaalsContact CD2-CD1 3.46Å; F39-Y70 AromaticContact CD2-CE1 3.24Å; F39-Y70 HydrophobicContact CD2-CE1 3.24Å; F39-Y70 HydrophobicContact CD2-CG 4.3Å; F39-Y70 AromaticContact CD2-CZ 3.92Å; F39-Y70 AromaticContact CE2-CD1 3.9Å; F39-Y70 HydrophobicContact CE2-CD1 3.9Å; F39-Y70 HydrophobicContact CE2-CE1 4.14Å; F39-Y70 HydrophobicContact CE2-CG 4.5Å; F39-Y70 HydrophobicContact CG-CD1 4.4Å; F39-Y70 AromaticContact CG-CE1 3.83Å; F39-Y70 HydrophobicContact CG-CE1 3.83Å; L50-Y70 HydrophobicContact CB-CD1 4.46Å; L50-Y70 HydrophobicContact CB-CE1 4.37Å; L50-Y70 VanDerWaalsContact CD1-CB 3.44Å; L50-Y70 HydrophobicContact CD1-CD1 4Å; L50-Y70 HydrophobicContact CD1-CD2 3.76Å; L50-Y70 HydrophobicContact CD1-CE2 4.47Å; L50-Y70 HydrophobicContact CD1-CG 3.5Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; S68-Y70 PolarHBondContact O-N 3.28Å; S68-Y70 PolarHBondContact OG-N 3.15Å; Y70-A73 PolarHBondContact O-N 3.31Å; Y70-T74 WeakPolarHBondContact O-CB 3.43Å; Y70-T74 PolarHBondContact O-N 3.19Å; Y70-T74 PolarHBondContact O-OG1 3.5Å
71	G	93.1	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-53.1	176.2	0	0	0	0	0	111.6	L65 S68 A73 T74 F75	L65-G71 VanDerWaalsContact CD1-CA 3.42Å; L65-G71 CarbonylContact O-C 3.59Å; L65-G71 WeakPolarHBondContact O-CA 3.42Å; S68-G71 PolarHBondContact O-N 3.24Å; S68-G71 PolarHBondContact OG-N 3.21Å; S68-G71 VanDerWaalsContact OG-N 3.16Å; G71-A73 PolarHBondContact O-N 2.87Å; G71-T74 PolarHBondContact O-N 3.47Å; G71-F75 VanDerWaalsContact O-CB 3.32Å; G71-F75 WeakPolarHBondContact O-CB 3Å; G71-F75 PolarHBondContact O-N 3.45Å
72	L	94.4	Very high	93.9	Very high	38 Å²	38	48 Å²	48	20%	0.199	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-46.1	176.3	-179.9	63.4	0	0	0	112.6	L65 L66 S68 F75 R76 I88 L92	L65-L72 PolarHBondContact O-N 3.24Å; L65-L72 VanDerWaalsContact O-N 3.16Å; L66-L72 HydrophobicContact CD2-CD1 3.72Å; S68-L72 VanDerWaalsContact O-CB 3.3Å; S68-L72 WeakPolarHBondContact O-CB 3.33Å; S68-L72 PolarHBondContact O-N 3.03Å; L72-F75 PolarHBondContact O-N 3.31Å; L72-R76 VanDerWaalsContact O-CB 3.27Å; L72-R76 WeakPolarHBondContact O-CB 3.34Å; L72-R76 PolarHBondContact O-N 3.49Å; L72-I88 HydrophobicContact CD1-CD1 3.89Å; L72-I88 HydrophobicContact CD1-CG1 3.94Å; L72-L92 HydrophobicContact CD1-CD1 4.22Å; L72-L92 HydrophobicContact CD1-CD2 4.23Å; L72-L92 HydrophobicContact CD2-CD1 4.31Å; L72-L92 HydrophobicContact CD2-CD2 3.97Å
73	A	92.1	Very high	93.7	Very high	30 Å²	30	57.8 Å²	57.8	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-41.3	-179.9	0	0	0	0	0	112	L35 F39 K69 Y70 G71 N77	L35-A73 HydrophobicContact CD1-CB 3.78Å; F39-A73 HydrophobicContact CE2-CB 4.27Å; F39-A73 HydrophobicContact CZ-CB 4.25Å; K69-A73 WeakPolarHBondContact O-CB 3.2Å; K69-A73 PolarHBondContact O-N 3.24Å; Y70-A73 PolarHBondContact O-N 3.31Å; G71-A73 PolarHBondContact O-N 2.87Å; A73-N77 PolarHBondContact O-N 3.04Å; A73-N77 VanDerWaalsContact O-N 3.09Å
74	T	93.1	Very high	93.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-45.3	177.8	-50.1	0	0	0	0	110.7	F31 L35 Y70 G71 R76 N77 F78 F167 I172	F31-T74 HydrophobicContact CE1-CG2 4.24Å; L35-T74 WeakPolarHBondContact CD2-OG1 3.49Å; Y70-T74 WeakPolarHBondContact O-CB 3.43Å; Y70-T74 PolarHBondContact O-N 3.19Å; Y70-T74 PolarHBondContact O-OG1 3.5Å; G71-T74 PolarHBondContact O-N 3.47Å; T74-R76 PolarHBondContact O-N 2.64Å; T74-N77 WeakPolarHBondContact O-CB 3.39Å; T74-N77 PolarHBondContact O-N 2.89Å; T74-F78 PolarHBondContact O-N 2.86Å; T74-F167 HydrophobicContact CG2-CE2 3.8Å; T74-F167 HydrophobicContact CG2-CZ 4.1Å; T74-I172 HydrophobicContact CG2-CG2 3.49Å; T74-I172 VanDerWaalsContact CG2-CG2 3.49Å
75	F	96	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-42.5	177.6	-172.5	-125.9	0	0	0	111.9	L62 L65 L66 G71 L72 N77 F78 L79 M159 F167	L62-F75 HydrophobicContact CD1-CD1 4.35Å; L62-F75 HydrophobicContact CD1-CE1 3.85Å; L62-F75 HydrophobicContact CD1-CZ 4.13Å; L65-F75 HydrophobicContact CD1-CB 4.42Å; L65-F75 HydrophobicContact CD2-CB 3.87Å; L65-F75 HydrophobicContact CD2-CD1 4.21Å; L65-F75 HydrophobicContact CD2-CD2 3.82Å; L65-F75 HydrophobicContact CD2-CE2 4.42Å; L65-F75 HydrophobicContact CD2-CG 3.71Å; L65-F75 HydrophobicContact CG-CB 4.25Å; L66-F75 HydrophobicContact CD2-CD1 3.88Å; L66-F75 HydrophobicContact CD2-CE1 4.33Å; G71-F75 VanDerWaalsContact O-CB 3.32Å; G71-F75 WeakPolarHBondContact O-CB 3Å; G71-F75 PolarHBondContact O-N 3.45Å; L72-F75 PolarHBondContact O-N 3.31Å; F75-N77 VanDerWaalsContact C-N 3.3Å; F75-N77 PolarHBondContact O-N 3.37Å; F75-F78 HydrophobicContact CD2-CD1 4.27Å; F75-F78 HydrophobicContact CE2-CD1 4.24Å; F75-F78 WeakPolarHBondContact O-CB 3.27Å; F75-F78 PolarHBondContact O-N 3.42Å; F75-L79 HydrophobicContact CD1-CD1 3.9Å; F75-L79 HydrophobicContact CE1-CD1 3.61Å; F75-L79 HydrophobicContact CE1-CG 4.25Å; F75-L79 HydrophobicContact CE2-CD1 4.48Å; F75-L79 HydrophobicContact CE2-CD2 4.23Å; F75-L79 HydrophobicContact CE2-CG 4.26Å; F75-L79 HydrophobicContact CG-CD1 4.47Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 HydrophobicContact CZ-CD2 4.02Å; F75-L79 HydrophobicContact CZ-CG 4.13Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.21Å; F75-M159 HydrophobicContact CE1-SD 4.01Å; F75-M159 HydrophobicContact CZ-CB 4.4Å; F75-F167 HydrophobicContact CD2-CB 3.77Å; F75-F167 HydrophobicContact CD2-CD1 4.03Å; F75-F167 AromaticContact CD2-CD2 3.89Å; F75-F167 HydrophobicContact CD2-CD2 3.89Å; F75-F167 AromaticContact CD2-CG 3.6Å; F75-F167 HydrophobicContact CD2-CG 3.6Å; F75-F167 HydrophobicContact CE2-CB 3.79Å; F75-F167 HydrophobicContact CE2-CG 4.13Å
76	R	95.5	Very high	93.8	Very high	87 Å²	87	50 Å²	50	33%	0.328	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-39.1	174.6	-173.3	176.6	-172.7	179.9	5.2	112.1	L72 T74 L79 K80 I88 E89	L72-R76 VanDerWaalsContact O-CB 3.27Å; L72-R76 WeakPolarHBondContact O-CB 3.34Å; L72-R76 PolarHBondContact O-N 3.49Å; T74-R76 PolarHBondContact O-N 2.64Å; R76-L79 PolarHBondContact O-N 3.17Å; R76-K80 WeakPolarHBondContact O-CG 3.4Å; R76-K80 PolarHBondContact O-N 3.35Å; R76-I88 HydrophobicContact CB-CG2 4.45Å; R76-I88 HydrophobicContact CG-CG2 4.12Å; R76-E89 IonicContact NH2-OE2 3.68Å
77	N	92.9	Very high	93.9	Very high	53 Å²	53	49.7 Å²	49.7	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-41.1	175.9	-172.9	67.3	0	0	0	111.7	F31 A73 T74 F75 K80 S81	F31-N77 HydrophobicContact CD2-CB 4.48Å; F31-N77 HydrophobicContact CE1-CB 4.18Å; F31-N77 HydrophobicContact CE2-CB 3.62Å; F31-N77 HydrophobicContact CZ-CB 3.43Å; F31-N77 VanDerWaalsContact CZ-CB 3.43Å; A73-N77 PolarHBondContact O-N 3.04Å; A73-N77 VanDerWaalsContact O-N 3.09Å; T74-N77 WeakPolarHBondContact O-CB 3.39Å; T74-N77 PolarHBondContact O-N 2.89Å; F75-N77 VanDerWaalsContact C-N 3.3Å; F75-N77 PolarHBondContact O-N 3.37Å; N77-K80 PolarHBondContact O-N 3.12Å; N77-S81 PolarHBondContact O-N 3.04Å; N77-S81 VanDerWaalsContact O-N 3.12Å
78	F	95.1	Very high	94.2	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-50.5	173.2	170.9	-97.3	0	0	0	111.7	T74 F75 K80 S81 E82 S163 R166 F167 I172	T74-F78 PolarHBondContact O-N 2.86Å; F75-F78 HydrophobicContact CD2-CD1 4.27Å; F75-F78 HydrophobicContact CE2-CD1 4.24Å; F75-F78 WeakPolarHBondContact O-CB 3.27Å; F75-F78 PolarHBondContact O-N 3.42Å; F78-K80 VanDerWaalsContact C-N 3.27Å; F78-K80 PolarHBondContact O-N 3.25Å; F78-S81 WeakPolarHBondContact O-CB 3.28Å; F78-S81 PolarHBondContact O-N 3.1Å; F78-S81 PolarHBondContact O-OG 3.35Å; F78-E82 VanDerWaalsContact CE1-OE2 3.22Å; F78-E82 WeakPolarHBondContact CE1-OE2 3.39Å; F78-E82 HydrophobicContact CE2-CG 4.35Å; F78-E82 WeakPolarHBondContact CE2-OE1 3.29Å; F78-E82 HydrophobicContact CZ-CG 4.23Å; F78-E82 WeakPolarHBondContact CZ-OE1 3.22Å; F78-E82 WeakPolarHBondContact CZ-OE2 3.4Å; F78-E82 PolarHBondContact O-N 3.06Å; F78-S163 VanDerWaalsContact CE1-O 3.31Å; F78-S163 WeakPolarHBondContact CE1-O 3.44Å; F78-R166 HydrophobicContact CE1-CB 4.43Å; F78-R166 HydrophobicContact CZ-CB 3.82Å; F78-F167 HydrophobicContact CB-CD2 3.75Å; F78-F167 HydrophobicContact CB-CE2 4.37Å; F78-F167 HydrophobicContact CD1-CB 3.68Å; F78-F167 HydrophobicContact CD1-CD2 4.08Å; F78-F167 HydrophobicContact CD1-CG 4.35Å; F78-F167 HydrophobicContact CD2-CD2 4.32Å; F78-F167 HydrophobicContact CE1-CB 3.72Å; F78-F167 HydrophobicContact CG-CB 4.12Å; F78-F167 AromaticContact CG-CD2 3.78Å; F78-F167 HydrophobicContact CG-CD2 3.78Å; F78-F167 HydrophobicContact CG-CG 4.45Å; F78-F167 HydrophobicContact CZ-CB 4.19Å; F78-I172 HydrophobicContact CB-CD1 4.37Å; F78-I172 HydrophobicContact CD2-CD1 4.46Å
79	L	95.9	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-36	178.3	-66.9	173.4	0	0	0	112.7	F75 R76 S81 E82 Y83 S84 D85 I88 M159	F75-L79 HydrophobicContact CD1-CD1 3.9Å; F75-L79 HydrophobicContact CE1-CD1 3.61Å; F75-L79 HydrophobicContact CE1-CG 4.25Å; F75-L79 HydrophobicContact CE2-CD1 4.48Å; F75-L79 HydrophobicContact CE2-CD2 4.23Å; F75-L79 HydrophobicContact CE2-CG 4.26Å; F75-L79 HydrophobicContact CG-CD1 4.47Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 HydrophobicContact CZ-CD2 4.02Å; F75-L79 HydrophobicContact CZ-CG 4.13Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.21Å; R76-L79 PolarHBondContact O-N 3.17Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.75Å; L79-E82 CarbonylContact O-C 3.54Å; L79-E82 PolarHBondContact O-N 2.69Å; L79-Y83 PolarHBondContact O-N 3.2Å; L79-S84 VanDerWaalsContact CD2-OG 3.27Å; L79-S84 WeakPolarHBondContact CD2-OG 3.38Å; L79-S84 PolarHBondContact O-N 3.18Å; L79-D85 HydrophobicContact CB-CB 3.95Å; L79-I88 HydrophobicContact CD1-CB 3.57Å; L79-I88 HydrophobicContact CD1-CG1 4.5Å; L79-I88 HydrophobicContact CD1-CG2 3.43Å; L79-I88 VanDerWaalsContact CD1-CG2 3.43Å; L79-M159 HydrophobicContact CD1-SD 4.26Å
80	K	94	Very high	94.9	Very high	100 Å²	100	39 Å²	39	44%	0.435	19%	0.186	S	C	.	.	H	α-helix	trans	-63.9	-38.8	174.1	-78.8	179	177.4	-172	0	112.7	R76 N77 F78 E82 Y83 D85	R76-K80 WeakPolarHBondContact O-CG 3.4Å; R76-K80 PolarHBondContact O-N 3.35Å; N77-K80 PolarHBondContact O-N 3.12Å; F78-K80 VanDerWaalsContact C-N 3.27Å; F78-K80 PolarHBondContact O-N 3.25Å; K80-E82 PolarHBondContact O-N 2.96Å; K80-Y83 PolarHBondContact O-N 2.91Å; K80-D85 HydrophobicContact CB-CB 4.47Å; K80-D85 WeakPolarHBondContact CE-OD2 3.23Å; K80-D85 HydrophobicContact CG-CB 3.61Å; K80-D85 VanDerWaalsContact CG-CG 3.43Å; K80-D85 WeakPolarHBondContact CG-OD2 3.22Å
81	S	92.4	Very high	95.3	Very high	71 Å²	71	39.2 Å²	39.2	50%	0.497	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-21.9	177	73.3	0	0	0	0	112.8	N77 F78 L79	N77-S81 PolarHBondContact O-N 3.04Å; N77-S81 VanDerWaalsContact O-N 3.12Å; F78-S81 WeakPolarHBondContact O-CB 3.28Å; F78-S81 PolarHBondContact O-N 3.1Å; F78-S81 PolarHBondContact O-OG 3.35Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.75Å
82	E	94	Very high	95.5	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.8	177.9	-59.6	-169.4	144.6	0	0	113.2	F78 L79 K80 S84 R166	F78-E82 VanDerWaalsContact CE1-OE2 3.22Å; F78-E82 WeakPolarHBondContact CE1-OE2 3.39Å; F78-E82 HydrophobicContact CE2-CG 4.35Å; F78-E82 WeakPolarHBondContact CE2-OE1 3.29Å; F78-E82 HydrophobicContact CZ-CG 4.23Å; F78-E82 WeakPolarHBondContact CZ-OE1 3.22Å; F78-E82 WeakPolarHBondContact CZ-OE2 3.4Å; F78-E82 PolarHBondContact O-N 3.06Å; L79-E82 CarbonylContact O-C 3.54Å; L79-E82 PolarHBondContact O-N 2.69Å; K80-E82 PolarHBondContact O-N 2.96Å; E82-S84 PolarHBondContact O-N 2.92Å; E82-R166 IonicContact OE1-CZ 3.55Å; E82-R166 IonicContact OE1-NH1 3.56Å; E82-R166 PolarHBondContact OE1-NH1 3.27Å; E82-R166 IonicContact OE2-CZ 2.78Å; E82-R166 VanDerWaalsContact OE2-CZ 3.28Å; E82-R166 IonicContact OE2-NH1 2.71Å; E82-R166 PolarHBondContact OE2-NH1 3.16Å; E82-R166 IonicContact OE2-NH2 2.76Å; E82-R166 PolarHBondContact OE2-NH2 3.36Å
83	Y	92.8	Very high	95.6	Very high	206 Å²	206	40.2 Å²	40.2	81%	0.808	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	37.7	-179.5	-54.2	-88.8	0	0	0	113.9	L79 K80	L79-Y83 PolarHBondContact O-N 3.2Å; K80-Y83 PolarHBondContact O-N 2.91Å
84	S	96.1	Very high	95.9	Very high	14 Å²	14	38.9 Å²	38.9	10%	0.098	18%	0.182	C	C	.	.			trans	-128.6	23.8	-178.3	69.8	0	0	0	0	112.8	L79 E82 E86 N87	L79-S84 VanDerWaalsContact CD2-OG 3.27Å; L79-S84 WeakPolarHBondContact CD2-OG 3.38Å; L79-S84 PolarHBondContact O-N 3.18Å; E82-S84 PolarHBondContact O-N 2.92Å; S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 WeakPolarHBondContact CA-OE2 3.41Å; S84-E86 PolarHBondContact O-N 3.45Å; S84-N87 PolarHBondContact O-ND2 3.02Å; S84-N87 VanDerWaalsContact O-ND2 3.15Å
85	D	96.1	Very high	96.1	Very high	33 Å²	33	41.6 Å²	41.6	18%	0.176	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.7	-176.2	72.4	-60.9	0	0	0	114.4	L79 K80 N87 I88 E89	L79-D85 HydrophobicContact CB-CB 3.95Å; K80-D85 HydrophobicContact CB-CB 4.47Å; K80-D85 WeakPolarHBondContact CE-OD2 3.23Å; K80-D85 HydrophobicContact CG-CB 3.61Å; K80-D85 VanDerWaalsContact CG-CG 3.43Å; K80-D85 WeakPolarHBondContact CG-OD2 3.22Å; D85-N87 PolarHBondContact O-N 2.71Å; D85-I88 HydrophobicContact CB-CG2 4.46Å; D85-I88 VanDerWaalsContact O-CG2 3.31Å; D85-I88 WeakPolarHBondContact O-CG2 3.31Å; D85-I88 PolarHBondContact O-N 2.86Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 PolarHBondContact O-N 3.34Å
86	E	97.5	Very high	96.1	Very high	39 Å²	39	45.7 Å²	45.7	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-34.3	169.9	71.8	-67	158.2	0	0	112.3	S84 E89 F90 K124 I126	S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 WeakPolarHBondContact CA-OE2 3.41Å; S84-E86 PolarHBondContact O-N 3.45Å; E86-E89 PolarHBondContact O-N 3.46Å; E86-F90 VanDerWaalsContact O-CB 3.28Å; E86-F90 WeakPolarHBondContact O-CB 3.37Å; E86-F90 PolarHBondContact O-N 3.08Å; E86-K124 HydrophobicContact CB-CB 3.85Å; E86-K124 HydrophobicContact CB-CG 4.35Å; E86-I126 HydrophobicContact CG-CG2 4.45Å
87	N	97.4	Very high	96.2	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-50.3	-179	-64.4	-59.3	0	0	0	111.8	S84 D85 W91 V155 M159	S84-N87 PolarHBondContact O-ND2 3.02Å; S84-N87 VanDerWaalsContact O-ND2 3.15Å; D85-N87 PolarHBondContact O-N 2.71Å; N87-W91 WeakPolarHBondContact O-CB 3.42Å; N87-W91 PolarHBondContact O-N 3.47Å; N87-V155 HydrophobicContact CB-CG1 3.72Å; N87-V155 VanDerWaalsContact O-CG1 3.28Å; N87-V155 WeakPolarHBondContact O-CG1 3.37Å; N87-M159 HydrophobicContact CB-CG 3.78Å; N87-M159 HydrophobicContact CB-SD 3.81Å
88	I	97.6	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.2	-34.6	178.7	-170.8	57.3	0	0	0	111.5	L66 L72 R76 L79 D85 W91 L92 M159	L66-I88 HydrophobicContact CD1-CD1 4.19Å; L66-I88 HydrophobicContact CD2-CD1 3.62Å; L72-I88 HydrophobicContact CD1-CD1 3.89Å; L72-I88 HydrophobicContact CD1-CG1 3.94Å; R76-I88 HydrophobicContact CB-CG2 4.45Å; R76-I88 HydrophobicContact CG-CG2 4.12Å; L79-I88 HydrophobicContact CD1-CB 3.57Å; L79-I88 HydrophobicContact CD1-CG1 4.5Å; L79-I88 HydrophobicContact CD1-CG2 3.43Å; L79-I88 VanDerWaalsContact CD1-CG2 3.43Å; D85-I88 HydrophobicContact CB-CG2 4.46Å; D85-I88 VanDerWaalsContact O-CG2 3.31Å; D85-I88 WeakPolarHBondContact O-CG2 3.31Å; D85-I88 PolarHBondContact O-N 2.86Å; I88-W91 HydrophobicContact CD1-CE3 4.14Å; I88-W91 PolarHBondContact O-N 2.65Å; I88-L92 HydrophobicContact CD1-CG 4.25Å; I88-L92 HydrophobicContact CG1-CD1 4.14Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.5Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.48Å; I88-L92 PolarHBondContact O-N 2.78Å; I88-M159 HydrophobicContact CB-SD 3.92Å; I88-M159 HydrophobicContact CD1-CE 4.18Å; I88-M159 HydrophobicContact CD1-SD 4.24Å
89	E	97.8	Very high	96.4	Very high	29 Å²	29	48.7 Å²	48.7	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.7	-166.6	175.4	133	0	0	111.7	R76 D85 E86 T93 Q116 F117 K124	R76-E89 IonicContact NH2-OE2 3.68Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 PolarHBondContact O-N 3.34Å; E86-E89 PolarHBondContact O-N 3.46Å; E89-T93 VanDerWaalsContact O-CB 3.22Å; E89-T93 WeakPolarHBondContact O-CB 3.46Å; E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 PolarHBondContact O-OG1 3.43Å; E89-Q116 PolarHBondContact OE1-NE2 3.48Å; E89-F117 HydrophobicContact CB-CE1 4.19Å; E89-F117 HydrophobicContact CB-CZ 4.2Å; E89-F117 HydrophobicContact CG-CE1 4.35Å; E89-F117 HydrophobicContact CG-CZ 3.89Å; E89-K124 IonicContact OE1-NZ 2.65Å; E89-K124 PolarHBondContact OE1-NZ 2.9Å; E89-K124 IonicContact OE2-NZ 2.69Å; E89-K124 PolarHBondContact OE2-NZ 3.2Å
90	F	98.4	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-48.5	173.2	174.5	-105.7	0	0	0	111.3	E86 L92 T93 C94 I113 F117 I118 I126 F148 A151 Q152 V155	E86-F90 VanDerWaalsContact O-CB 3.28Å; E86-F90 WeakPolarHBondContact O-CB 3.37Å; E86-F90 PolarHBondContact O-N 3.08Å; F90-L92 PolarHBondContact O-N 3.29Å; F90-T93 PolarHBondContact O-N 3.18Å; F90-C94 VanDerWaalsContact CE2-SG 3.55Å; F90-C94 WeakPolarHBondContact CZ-SG 3.47Å; F90-C94 PolarHBondContact O-N 3.42Å; F90-C94 PolarHBondContact O-SG 3.28Å; F90-I113 HydrophobicContact CD2-CG2 4.21Å; F90-I113 HydrophobicContact CE2-CG2 3.79Å; F90-F117 HydrophobicContact CB-CD1 3.67Å; F90-F117 HydrophobicContact CB-CE1 3.89Å; F90-F117 HydrophobicContact CB-CG 4.04Å; F90-F117 HydrophobicContact CB-CZ 4.43Å; F90-F117 HydrophobicContact CD2-CB 3.58Å; F90-F117 HydrophobicContact CD2-CD1 4.17Å; F90-F117 AromaticContact CD2-CD2 3.9Å; F90-F117 HydrophobicContact CD2-CD2 3.9Å; F90-F117 AromaticContact CD2-CG 3.63Å; F90-F117 HydrophobicContact CD2-CG 3.63Å; F90-F117 HydrophobicContact CE2-CB 4.18Å; F90-F117 HydrophobicContact CG-CB 4.37Å; F90-F117 HydrophobicContact CG-CD1 4.35Å; F90-F117 HydrophobicContact CG-CG 4.26Å; F90-I118 HydrophobicContact CE2-CD1 3.79Å; F90-I118 HydrophobicContact CZ-CD1 4.05Å; F90-I126 HydrophobicContact CB-CG2 3.81Å; F90-I126 HydrophobicContact CD1-CD1 3.68Å; F90-I126 HydrophobicContact CD1-CG2 4.32Å; F90-I126 HydrophobicContact CD2-CD1 4.11Å; F90-I126 HydrophobicContact CE1-CD1 3.48Å; F90-I126 VanDerWaalsContact CE1-CD1 3.48Å; F90-I126 HydrophobicContact CE2-CD1 3.95Å; F90-I126 HydrophobicContact CG-CD1 3.98Å; F90-I126 HydrophobicContact CG-CG2 3.97Å; F90-I126 HydrophobicContact CZ-CD1 3.63Å; F90-F148 HydrophobicContact CE2-CD1 4.47Å; F90-F148 HydrophobicContact CZ-CB 4.26Å; F90-A151 HydrophobicContact CE1-CB 3.95Å; F90-A151 HydrophobicContact CZ-CB 3.76Å; F90-Q152 HydrophobicContact CE1-CB 4.39Å; F90-V155 HydrophobicContact CD1-CB 4.1Å; F90-V155 HydrophobicContact CD1-CG1 4.21Å; F90-V155 HydrophobicContact CD1-CG2 3.79Å; F90-V155 HydrophobicContact CE1-CB 4.46Å; F90-V155 HydrophobicContact CE1-CG2 4.03Å
91	W	98.2	Very high	96.4	Very high	45 Å²	45	55.7 Å²	55.7	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-47.8	-178.8	-175.3	92.6	0	0	0	112	L66 N87 I88 T93 C94 E95 Q152 Y156 M159	L66-W91 HydrophobicContact CB-CH2 4.37Å; L66-W91 HydrophobicContact CB-CZ3 4.4Å; L66-W91 HydrophobicContact CD1-CD2 4.21Å; L66-W91 HydrophobicContact CD1-CE3 4.03Å; L66-W91 HydrophobicContact CD1-CH2 3.89Å; L66-W91 HydrophobicContact CD1-CZ2 4.06Å; L66-W91 HydrophobicContact CD1-CZ3 3.87Å; N87-W91 WeakPolarHBondContact O-CB 3.42Å; N87-W91 PolarHBondContact O-N 3.47Å; I88-W91 HydrophobicContact CD1-CE3 4.14Å; I88-W91 PolarHBondContact O-N 2.65Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 3.23Å; W91-C94 WeakPolarHBondContact O-CB 3.45Å; W91-C94 PolarHBondContact O-N 2.91Å; W91-E95 HydrophobicContact CD2-CG 4.38Å; W91-E95 HydrophobicContact CE3-CG 4.19Å; W91-E95 HydrophobicContact CH2-CG 3.86Å; W91-E95 HydrophobicContact CZ2-CG 4.06Å; W91-E95 HydrophobicContact CZ3-CG 3.94Å; W91-E95 PolarHBondContact O-N 3.03Å; W91-E95 VanDerWaalsContact O-N 3.1Å; W91-Q152 VanDerWaalsContact CD1-CG 3.43Å; W91-Q152 HydrophobicContact CG-CG 4.2Å; W91-Q152 PolarHBondContact O-NE2 2.8Å; W91-Y156 AromaticContact NE1-CD2 3.62Å; W91-M159 HydrophobicContact CB-CE 4.06Å; W91-M159 HydrophobicContact CG-CE 4.23Å
92	L	97.4	Very high	96.5	Very high	43 Å²	43	54.8 Å²	54.8	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-40.2	176	-69.8	172	0	0	0	112	L72 I88 F90 C94 E95 D96	L72-L92 HydrophobicContact CD1-CD1 4.22Å; L72-L92 HydrophobicContact CD1-CD2 4.23Å; L72-L92 HydrophobicContact CD2-CD1 4.31Å; L72-L92 HydrophobicContact CD2-CD2 3.97Å; I88-L92 HydrophobicContact CD1-CG 4.25Å; I88-L92 HydrophobicContact CG1-CD1 4.14Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.5Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.48Å; I88-L92 PolarHBondContact O-N 2.78Å; F90-L92 PolarHBondContact O-N 3.29Å; L92-C94 PolarHBondContact O-N 3.5Å; L92-E95 PolarHBondContact O-N 2.95Å; L92-D96 PolarHBondContact O-N 3.35Å
93	T	97.8	Very high	96.4	Very high	16 Å²	16	56.1 Å²	56.1	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-34.9	177.5	-62.2	0	0	0	0	111.5	E89 F90 W91 Y97 I113	E89-T93 VanDerWaalsContact O-CB 3.22Å; E89-T93 WeakPolarHBondContact O-CB 3.46Å; E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 PolarHBondContact O-OG1 3.43Å; F90-T93 PolarHBondContact O-N 3.18Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 3.23Å; T93-Y97 VanDerWaalsContact O-CB 3.23Å; T93-Y97 WeakPolarHBondContact O-CB 3.46Å; T93-Y97 PolarHBondContact O-N 2.99Å; T93-I113 HydrophobicContact CG2-CD1 3.71Å; T93-I113 HydrophobicContact CG2-CG1 3.56Å
94	C	97.8	Very high	96.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-41.7	173.9	-67.5	0	0	0	0	112.1	F90 W91 L92 D96 Y97 K98 Q152	F90-C94 VanDerWaalsContact CE2-SG 3.55Å; F90-C94 WeakPolarHBondContact CZ-SG 3.47Å; F90-C94 PolarHBondContact O-N 3.42Å; F90-C94 PolarHBondContact O-SG 3.28Å; W91-C94 WeakPolarHBondContact O-CB 3.45Å; W91-C94 PolarHBondContact O-N 2.91Å; L92-C94 PolarHBondContact O-N 3.5Å; C94-D96 VanDerWaalsContact C-N 3.32Å; C94-D96 PolarHBondContact O-N 2.92Å; C94-Y97 WeakPolarHBondContact O-CB 3.17Å; C94-Y97 PolarHBondContact O-N 3.22Å; C94-K98 WeakPolarHBondContact O-CG 3.47Å; C94-K98 PolarHBondContact O-N 3.45Å; C94-Q152 HydrophobicContact CB-CB 4.27Å; C94-Q152 VanDerWaalsContact CB-CD 3.42Å; C94-Q152 HydrophobicContact CB-CG 3.92Å
95	E	97.1	Very high	96.4	Very high	57 Å²	57	60 Å²	60	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-42	175	-73	-56.9	103.1	0	0	112.2	W91 L92 K98 K99 Q152	W91-E95 HydrophobicContact CD2-CG 4.38Å; W91-E95 HydrophobicContact CE3-CG 4.19Å; W91-E95 HydrophobicContact CH2-CG 3.86Å; W91-E95 HydrophobicContact CZ2-CG 4.06Å; W91-E95 HydrophobicContact CZ3-CG 3.94Å; W91-E95 PolarHBondContact O-N 3.03Å; W91-E95 VanDerWaalsContact O-N 3.1Å; L92-E95 PolarHBondContact O-N 2.95Å; E95-K98 IonicContact OE1-NZ 3.66Å; E95-K98 PolarHBondContact OE1-NZ 3.37Å; E95-K99 WeakPolarHBondContact O-CE 3.42Å; E95-K99 WeakPolarHBondContact O-CG 3.38Å; E95-Q152 PolarHBondContact OE1-NE2 3.42Å
96	D	96.6	Very high	96.4	Very high	85 Å²	85	59.3 Å²	59.3	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-71.9	-33.4	175.4	-73.6	-19.6	0	0	0	112.8	L92 C94 K98 K99	L92-D96 PolarHBondContact O-N 3.35Å; C94-D96 VanDerWaalsContact C-N 3.32Å; C94-D96 PolarHBondContact O-N 2.92Å; D96-K98 VanDerWaalsContact C-N 3.35Å; D96-K98 PolarHBondContact O-N 3.37Å; D96-K99 PolarHBondContact O-N 3.39Å; D96-K99 IonicContact OD1-NZ 2.85Å; D96-K99 PolarHBondContact OD1-NZ 3.47Å
97	Y	97.5	Very high	96.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-42.5	176.2	175.2	-96	0	0	0	112	T93 C94 K99 I100 L106 R109 A110 I113 P143 T144 C147 F148	T93-Y97 VanDerWaalsContact O-CB 3.23Å; T93-Y97 WeakPolarHBondContact O-CB 3.46Å; T93-Y97 PolarHBondContact O-N 2.99Å; C94-Y97 WeakPolarHBondContact O-CB 3.17Å; C94-Y97 PolarHBondContact O-N 3.22Å; Y97-K99 PolarHBondContact O-N 3.05Å; Y97-I100 HydrophobicContact CD2-CD1 4.19Å; Y97-I100 WeakPolarHBondContact O-CB 3.22Å; Y97-I100 WeakPolarHBondContact O-CG1 3.12Å; Y97-I100 PolarHBondContact O-N 3.34Å; Y97-I100 VanDerWaalsContact O-N 3.1Å; Y97-L106 HydrophobicContact CD1-CD1 4.5Å; Y97-L106 HydrophobicContact CD2-CD1 4.17Å; Y97-L106 HydrophobicContact CE1-CD1 3.93Å; Y97-L106 HydrophobicContact CE2-CD1 3.55Å; Y97-L106 HydrophobicContact CE2-CG 4.03Å; Y97-L106 VanDerWaalsContact CZ-CD1 3.4Å; Y97-L106 WeakPolarHBondContact OH-CG 3.4Å; Y97-R109 HydrophobicContact CD2-CB 4.01Å; Y97-R109 HydrophobicContact CD2-CG 3.83Å; Y97-R109 HydrophobicContact CE2-CB 4.31Å; Y97-A110 HydrophobicContact CE2-CB 3.84Å; Y97-I113 HydrophobicContact CD2-CD1 3.63Å; Y97-I113 HydrophobicContact CE2-CD1 4.42Å; Y97-I113 HydrophobicContact CG-CD1 3.86Å; Y97-P143 WeakPolarHBondContact OH-CB 3.41Å; Y97-T144 VanDerWaalsContact CE1-O 3.22Å; Y97-T144 WeakPolarHBondContact CE1-O 3.22Å; Y97-T144 PolarHBondContact OH-O 2.81Å; Y97-C147 HydrophobicContact CE1-CB 4.04Å; Y97-F148 AromaticContact CD1-CD2 3.78Å; Y97-F148 HydrophobicContact CD1-CD2 3.78Å; Y97-F148 HydrophobicContact CD1-CE2 4.11Å; Y97-F148 HydrophobicContact CD2-CE2 4.18Å; Y97-F148 AromaticContact CE1-CD2 3.74Å; Y97-F148 HydrophobicContact CE1-CD2 3.74Å; Y97-F148 AromaticContact CE1-CE2 3.84Å; Y97-F148 HydrophobicContact CE1-CE2 3.84Å; Y97-F148 AromaticContact CE2-CE2 3.92Å; Y97-F148 HydrophobicContact CE2-CE2 3.92Å; Y97-F148 HydrophobicContact CG-CD2 4.22Å; Y97-F148 HydrophobicContact CG-CE2 4.27Å; Y97-F148 AromaticContact CZ-CE2 3.75Å
98	K	96.6	Very high	96.2	Very high	71 Å²	71	61.4 Å²	61.4	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-26.5	177.6	-70.2	172.7	-170.9	167.1	0	113.5	C94 E95 D96 I100 D149	C94-K98 WeakPolarHBondContact O-CG 3.47Å; C94-K98 PolarHBondContact O-N 3.45Å; E95-K98 IonicContact OE1-NZ 3.66Å; E95-K98 PolarHBondContact OE1-NZ 3.37Å; D96-K98 VanDerWaalsContact C-N 3.35Å; D96-K98 PolarHBondContact O-N 3.37Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.45Å; K98-D149 VanDerWaalsContact CE-OD1 3.26Å; K98-D149 WeakPolarHBondContact CE-OD1 3.45Å
99	K	96.1	Very high	96.2	Very high	139 Å²	139	65.5 Å²	65.5	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.6	179.3	-60	167.9	-162.3	159.8	0	112.9	E95 D96 Y97 K101	E95-K99 WeakPolarHBondContact O-CE 3.42Å; E95-K99 WeakPolarHBondContact O-CG 3.38Å; D96-K99 PolarHBondContact O-N 3.39Å; D96-K99 IonicContact OD1-NZ 2.85Å; D96-K99 PolarHBondContact OD1-NZ 3.47Å; Y97-K99 PolarHBondContact O-N 3.05Å; K99-K101 PolarHBondContact O-N 2.92Å
100	I	95.6	Very high	96.2	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.185	32%	0.315	C	S	.	.			trans	-75.4	116.6	-177	-60.2	174	0	0	0	110.7	Y97 K98 S102 K105 L106 R109	Y97-I100 HydrophobicContact CD2-CD1 4.19Å; Y97-I100 WeakPolarHBondContact O-CB 3.22Å; Y97-I100 WeakPolarHBondContact O-CG1 3.12Å; Y97-I100 PolarHBondContact O-N 3.34Å; Y97-I100 VanDerWaalsContact O-N 3.1Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.45Å; I100-S102 WeakPolarHBondContact CG2-O 3.28Å; I100-K105 HydrophobicContact CG2-CB 3.68Å; I100-L106 HydrophobicContact CB-CD1 4.02Å; I100-L106 HydrophobicContact CG2-CB 4.08Å; I100-L106 HydrophobicContact CG2-CD1 4.24Å; I100-R109 HydrophobicContact CD1-CB 3.77Å; I100-R109 HydrophobicContact CD1-CG 3.77Å
101	K	93.1	Very high	96.1	Very high	210 Å²	210	70 Å²	70	91%	0.913	34%	0.341	S	S	*	.			trans	-90.5	-22.6	176.6	-59.5	-175.5	179.5	-178.1	0	114.3	K99	K99-K101 PolarHBondContact O-N 2.92Å
102	S	95.4	Very high	96.1	Very high	53 Å²	53	73.8 Å²	73.8	37%	0.371	36%	0.358	S	S	.	.			trans	-84.9	120.3	-177.1	170.1	0	0	0	0	111.1	I100 F104 K105 L106	I100-S102 WeakPolarHBondContact CG2-O 3.28Å; S102-F104 VanDerWaalsContact C-N 3.29Å; S102-F104 PolarHBondContact O-N 3.14Å; S102-K105 PolarHBondContact O-N 3.27Å; S102-K105 VanDerWaalsContact O-N 3.13Å; S102-L106 WeakPolarHBondContact O-CB 3.33Å; S102-L106 PolarHBondContact O-N 3.02Å
103	S	92.1	Very high	96.1	Very high	91 Å²	91	71.8 Å²	71.8	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-56.4	-39	179.1	177.7	0	0	0	0	113.4	L106 S107	S103-L106 WeakPolarHBondContact O-CB 3.35Å; S103-L106 PolarHBondContact O-N 3.26Å; S103-S107 PolarHBondContact O-N 2.77Å; S103-S107 PolarHBondContact O-OG 2.76Å
104	F	93.4	Very high	96.1	Very high	166 Å²	166	73.1 Å²	73.1	73%	0.728	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-45.5	175.9	178.9	-97.7	0	0	0	112.4	S102 L106 S107 S108	S102-F104 VanDerWaalsContact C-N 3.29Å; S102-F104 PolarHBondContact O-N 3.14Å; F104-L106 VanDerWaalsContact C-N 3.32Å; F104-S107 PolarHBondContact O-N 3.29Å; F104-S108 PolarHBondContact O-N 3.11Å; F104-S108 VanDerWaalsContact O-N 3.07Å; F104-S108 PolarHBondContact O-OG 3.02Å
105	K	95.1	Very high	96.1	Very high	137 Å²	137	78.7 Å²	78.7	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-37.8	175.4	-68.6	-173	178.4	-178.5	0	111.4	I100 S102 S108 R109	I100-K105 HydrophobicContact CG2-CB 3.68Å; S102-K105 PolarHBondContact O-N 3.27Å; S102-K105 VanDerWaalsContact O-N 3.13Å; K105-S108 WeakPolarHBondContact CA-OG 3.4Å; K105-S108 PolarHBondContact O-OG 3.35Å; K105-R109 WeakPolarHBondContact O-CB 3.37Å; K105-R109 PolarHBondContact O-N 3Å
106	L	95.4	Very high	96.1	Very high	18 Å²	18	78.9 Å²	78.9	9%	0.094	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-49.3	177.8	-166.7	74.9	0	0	0	110.1	Y97 I100 S102 S103 F104 S108 R109 A110 P143	Y97-L106 HydrophobicContact CD1-CD1 4.5Å; Y97-L106 HydrophobicContact CD2-CD1 4.17Å; Y97-L106 HydrophobicContact CE1-CD1 3.93Å; Y97-L106 HydrophobicContact CE2-CD1 3.55Å; Y97-L106 HydrophobicContact CE2-CG 4.03Å; Y97-L106 VanDerWaalsContact CZ-CD1 3.4Å; Y97-L106 WeakPolarHBondContact OH-CG 3.4Å; I100-L106 HydrophobicContact CB-CD1 4.02Å; I100-L106 HydrophobicContact CG2-CB 4.08Å; I100-L106 HydrophobicContact CG2-CD1 4.24Å; S102-L106 WeakPolarHBondContact O-CB 3.33Å; S102-L106 PolarHBondContact O-N 3.02Å; S103-L106 WeakPolarHBondContact O-CB 3.35Å; S103-L106 PolarHBondContact O-N 3.26Å; F104-L106 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 3.48Å; L106-R109 PolarHBondContact O-N 2.89Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 3.47Å; L106-P143 HydrophobicContact CD2-CB 4.5Å; L106-P143 WeakPolarHBondContact CD2-O 3.47Å; L106-P143 HydrophobicContact CG-CB 4.42Å
107	S	95.7	Very high	96.2	Very high	39 Å²	39	74.8 Å²	74.8	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-44.7	179.4	-70.8	0	0	0	0	113.4	S103 F104 K111	S103-S107 PolarHBondContact O-N 2.77Å; S103-S107 PolarHBondContact O-OG 2.76Å; F104-S107 PolarHBondContact O-N 3.29Å; S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact O-N 2.81Å
108	S	96.4	Very high	96.2	Very high	50 Å²	50	74.7 Å²	74.7	35%	0.35	36%	0.356	S	S	.	.	H	α-helix	trans	-66.8	-37.8	177.4	54.9	0	0	0	0	112.5	F104 K105 L106 K112	F104-S108 PolarHBondContact O-N 3.11Å; F104-S108 VanDerWaalsContact O-N 3.07Å; F104-S108 PolarHBondContact O-OG 3.02Å; K105-S108 WeakPolarHBondContact CA-OG 3.4Å; K105-S108 PolarHBondContact O-OG 3.35Å; L106-S108 PolarHBondContact O-N 3.48Å; S108-K112 WeakPolarHBondContact O-CG 3.4Å; S108-K112 PolarHBondContact O-N 2.92Å
109	R	97.4	Very high	96.1	Very high	87 Å²	87	76.8 Å²	76.8	33%	0.328	37%	0.365	S	S	.	.	H	α-helix	trans	-70.4	-40.3	177.3	-166.2	67.1	166.8	158.9	-4	111.9	Y97 I100 K105 L106 K111 K112 I113	Y97-R109 HydrophobicContact CD2-CB 4.01Å; Y97-R109 HydrophobicContact CD2-CG 3.83Å; Y97-R109 HydrophobicContact CE2-CB 4.31Å; I100-R109 HydrophobicContact CD1-CB 3.77Å; I100-R109 HydrophobicContact CD1-CG 3.77Å; K105-R109 WeakPolarHBondContact O-CB 3.37Å; K105-R109 PolarHBondContact O-N 3Å; L106-R109 PolarHBondContact O-N 2.89Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.47Å; R109-K112 PolarHBondContact O-N 3.34Å; R109-I113 HydrophobicContact CG-CD1 3.98Å; R109-I113 HydrophobicContact CG-CG1 4.42Å; R109-I113 VanDerWaalsContact O-CG1 3.31Å; R109-I113 WeakPolarHBondContact O-CG1 3.25Å; R109-I113 PolarHBondContact O-N 3.2Å
110	A	97.6	Very high	96	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-44.7	177.4	0	0	0	0	0	111.9	Y97 L106 K112 I113 Y114 V140 P143 F148	Y97-A110 HydrophobicContact CE2-CB 3.84Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 3.47Å; A110-K112 PolarHBondContact O-N 2.97Å; A110-I113 PolarHBondContact O-N 3.2Å; A110-Y114 WeakPolarHBondContact O-CB 3.37Å; A110-Y114 PolarHBondContact O-N 3.49Å; A110-V140 HydrophobicContact CB-CG1 4.33Å; A110-P143 HydrophobicContact CB-CB 3.72Å; A110-P143 HydrophobicContact CB-CG 3.72Å; A110-F148 HydrophobicContact CB-CE2 4.22Å; A110-F148 HydrophobicContact CB-CZ 4.16Å
111	K	96.9	Very high	95.8	Very high	122 Å²	122	79.9 Å²	79.9	53%	0.53	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175.7	-69.7	178.5	-178.2	-176.9	0	112.2	S107 R109 Y114 E115 V140	S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact O-N 2.81Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.47Å; K111-Y114 WeakPolarHBondContact O-CB 3.48Å; K111-Y114 PolarHBondContact O-N 3.39Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.96Å; K111-V140 HydrophobicContact CG-CG1 4.15Å
112	K	97.2	Very high	95.9	Very high	125 Å²	125	70.5 Å²	70.5	54%	0.543	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-44.8	177.5	-71.5	-178.9	178.7	-173	0	112.4	S108 R109 A110 Y114 E115 Q116	S108-K112 WeakPolarHBondContact O-CG 3.4Å; S108-K112 PolarHBondContact O-N 2.92Å; R109-K112 PolarHBondContact O-N 3.34Å; A110-K112 PolarHBondContact O-N 2.97Å; K112-Y114 VanDerWaalsContact C-N 3.3Å; K112-Y114 PolarHBondContact O-N 3.09Å; K112-E115 PolarHBondContact O-N 3.2Å; K112-Q116 VanDerWaalsContact O-CB 3.24Å; K112-Q116 WeakPolarHBondContact O-CB 3.3Å; K112-Q116 PolarHBondContact O-N 3.1Å
113	I	97.9	Very high	95.6	Very high	1 Å²	1	74 Å²	74	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-44.2	177.1	-66.2	168.9	0	0	0	110	F90 T93 Y97 R109 A110 Q116 F117 F148	F90-I113 HydrophobicContact CD2-CG2 4.21Å; F90-I113 HydrophobicContact CE2-CG2 3.79Å; T93-I113 HydrophobicContact CG2-CD1 3.71Å; T93-I113 HydrophobicContact CG2-CG1 3.56Å; Y97-I113 HydrophobicContact CD2-CD1 3.63Å; Y97-I113 HydrophobicContact CE2-CD1 4.42Å; Y97-I113 HydrophobicContact CG-CD1 3.86Å; R109-I113 HydrophobicContact CG-CD1 3.98Å; R109-I113 HydrophobicContact CG-CG1 4.42Å; R109-I113 VanDerWaalsContact O-CG1 3.31Å; R109-I113 WeakPolarHBondContact O-CG1 3.25Å; R109-I113 PolarHBondContact O-N 3.2Å; A110-I113 PolarHBondContact O-N 3.2Å; I113-Q116 PolarHBondContact O-N 3.04Å; I113-F117 HydrophobicContact CG2-CD2 4.29Å; I113-F117 PolarHBondContact O-N 3.22Å; I113-F148 HydrophobicContact CB-CE1 4.15Å; I113-F148 HydrophobicContact CB-CE2 4.07Å; I113-F148 HydrophobicContact CB-CZ 3.71Å; I113-F148 HydrophobicContact CD1-CD2 4.18Å; I113-F148 HydrophobicContact CD1-CE2 3.74Å; I113-F148 HydrophobicContact CD1-CZ 4.28Å; I113-F148 HydrophobicContact CG2-CD1 3.93Å; I113-F148 HydrophobicContact CG2-CD2 4.29Å; I113-F148 HydrophobicContact CG2-CE1 3.57Å; I113-F148 HydrophobicContact CG2-CE2 3.97Å; I113-F148 HydrophobicContact CG2-CG 4.28Å; I113-F148 HydrophobicContact CG2-CZ 3.61Å
114	Y	97.7	Very high	95.8	Very high	44 Å²	44	72.7 Å²	72.7	17%	0.173	36%	0.355	C	S	.	.	I	π-helix	trans	-59.6	-50.3	177.8	-179.6	-95.5	0	0	0	112.3	A110 K111 K112 Q116 I118 K119 I136 K137 V140	A110-Y114 WeakPolarHBondContact O-CB 3.37Å; A110-Y114 PolarHBondContact O-N 3.49Å; K111-Y114 WeakPolarHBondContact O-CB 3.48Å; K111-Y114 PolarHBondContact O-N 3.39Å; K112-Y114 VanDerWaalsContact C-N 3.3Å; K112-Y114 PolarHBondContact O-N 3.09Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.04Å; Y114-I118 HydrophobicContact CD2-CB 3.66Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CD2-CG2 3.62Å; Y114-I118 HydrophobicContact CE2-CB 4.08Å; Y114-I118 HydrophobicContact CE2-CG2 3.64Å; Y114-I118 HydrophobicContact CG-CB 4.31Å; Y114-I118 CarbonylContact O-C 3.42Å; Y114-I118 WeakPolarHBondContact O-CA 3.43Å; Y114-I118 WeakPolarHBondContact O-CB 3.42Å; Y114-I118 PolarHBondContact O-N 2.88Å; Y114-K119 HydrophobicContact CE1-CB 4.17Å; Y114-K119 HydrophobicContact CE1-CG 4.47Å; Y114-K119 PolarHBondContact O-N 3.1Å; Y114-I136 HydrophobicContact CD2-CG2 4.15Å; Y114-K137 HydrophobicContact CE2-CB 3.79Å; Y114-K137 HydrophobicContact CE2-CG 4.22Å; Y114-V140 HydrophobicContact CD2-CG2 4.22Å; Y114-V140 HydrophobicContact CG-CG2 4.41Å
115	E	97.3	Very high	95.9	Very high	120 Å²	120	68 Å²	68	56%	0.561	34%	0.336	S	S	*	.	I	π-helix	trans	-65.2	-33.3	-178.9	-72.6	173.3	-179.1	0	0	113.2	K111 K112 S122	K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.96Å; K112-E115 PolarHBondContact O-N 3.2Å; E115-S122 VanDerWaalsContact O-CB 3.23Å; E115-S122 WeakPolarHBondContact O-CB 3.47Å
116	Q	97.5	Very high	96	Very high	60 Å²	60	61.6 Å²	61.6	28%	0.28	31%	0.308	S	S	.	.	I	π-helix	trans	-84.2	-38.4	-175	-175.4	175.2	-13.3	0	0	113.4	E89 K112 I113 Y114 S122 K124	E89-Q116 PolarHBondContact OE1-NE2 3.48Å; K112-Q116 VanDerWaalsContact O-CB 3.24Å; K112-Q116 WeakPolarHBondContact O-CB 3.3Å; K112-Q116 PolarHBondContact O-N 3.1Å; I113-Q116 PolarHBondContact O-N 3.04Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.04Å; Q116-S122 WeakPolarHBondContact O-CB 3.42Å; Q116-S122 PolarHBondContact O-OG 3.46Å; Q116-K124 HydrophobicContact CG-CB 4.43Å; Q116-K124 CarbonylContact O-C 3.57Å; Q116-K124 WeakPolarHBondContact O-CB 3.47Å; Q116-K124 PolarHBondContact O-N 3.45Å
117	F	97.9	Very high	96	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	I	π-helix	trans	-120.8	-28.3	-169.8	-60.8	-80.7	0	0	0	114.5	E89 F90 I113 K124 E125 I126	E89-F117 HydrophobicContact CB-CE1 4.19Å; E89-F117 HydrophobicContact CB-CZ 4.2Å; E89-F117 HydrophobicContact CG-CE1 4.35Å; E89-F117 HydrophobicContact CG-CZ 3.89Å; F90-F117 HydrophobicContact CB-CD1 3.67Å; F90-F117 HydrophobicContact CB-CE1 3.89Å; F90-F117 HydrophobicContact CB-CG 4.04Å; F90-F117 HydrophobicContact CB-CZ 4.43Å; F90-F117 HydrophobicContact CD2-CB 3.58Å; F90-F117 HydrophobicContact CD2-CD1 4.17Å; F90-F117 AromaticContact CD2-CD2 3.9Å; F90-F117 HydrophobicContact CD2-CD2 3.9Å; F90-F117 AromaticContact CD2-CG 3.63Å; F90-F117 HydrophobicContact CD2-CG 3.63Å; F90-F117 HydrophobicContact CE2-CB 4.18Å; F90-F117 HydrophobicContact CG-CB 4.37Å; F90-F117 HydrophobicContact CG-CD1 4.35Å; F90-F117 HydrophobicContact CG-CG 4.26Å; I113-F117 HydrophobicContact CG2-CD2 4.29Å; I113-F117 PolarHBondContact O-N 3.22Å; F117-K124 WeakPolarHBondContact CA-O 3.31Å; F117-K124 HydrophobicContact CD1-CB 3.9Å; F117-K124 VanDerWaalsContact CD1-O 3.28Å; F117-K124 WeakPolarHBondContact CD1-O 3.47Å; F117-K124 HydrophobicContact CE1-CB 3.92Å; F117-K124 HydrophobicContact CE1-CD 4.11Å; F117-E125 WeakPolarHBondContact O-CA 3.29Å; F117-I126 HydrophobicContact CB-CG2 4.27Å; F117-I126 HydrophobicContact CD1-CG2 4.14Å; F117-I126 WeakPolarHBondContact O-CG1 3.32Å; F117-I126 PolarHBondContact O-N 3.17Å
118	I	97.5	Very high	96	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-104.1	-34.5	-168.1	-50.9	-60.7	0	0	0	112.4	F90 Y114 A120 I126 I128 R133 I136 F148	F90-I118 HydrophobicContact CE2-CD1 3.79Å; F90-I118 HydrophobicContact CZ-CD1 4.05Å; Y114-I118 HydrophobicContact CD2-CB 3.66Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CD2-CG2 3.62Å; Y114-I118 HydrophobicContact CE2-CB 4.08Å; Y114-I118 HydrophobicContact CE2-CG2 3.64Å; Y114-I118 HydrophobicContact CG-CB 4.31Å; Y114-I118 CarbonylContact O-C 3.42Å; Y114-I118 WeakPolarHBondContact O-CA 3.43Å; Y114-I118 WeakPolarHBondContact O-CB 3.42Å; Y114-I118 PolarHBondContact O-N 2.88Å; I118-A120 PolarHBondContact O-N 3.42Å; I118-I126 HydrophobicContact CD1-CD1 3.66Å; I118-I126 HydrophobicContact CD1-CG1 4.13Å; I118-I128 HydrophobicContact CD1-CD1 4.05Å; I118-I128 HydrophobicContact CG2-CD1 4.27Å; I118-R133 HydrophobicContact CG2-CG 3.9Å; I118-R133 PolarHBondContact O-NH1 2.79Å; I118-I136 HydrophobicContact CD1-CD1 3.96Å; I118-I136 HydrophobicContact CG1-CG2 4.17Å; I118-I136 HydrophobicContact CG2-CB 4.16Å; I118-I136 HydrophobicContact CG2-CD1 4.34Å; I118-I136 HydrophobicContact CG2-CG2 3.97Å; I118-F148 HydrophobicContact CG1-CE1 4.32Å
119	K	95.5	Very high	96	Very high	115 Å²	115	67 Å²	67	50%	0.5	33%	0.33	S	S	.	.	S	Bend	trans	-61.9	135.4	179.7	-171.8	-174.8	173.8	-171.7	0	108.9	Y114 S122	Y114-K119 HydrophobicContact CE1-CB 4.17Å; Y114-K119 HydrophobicContact CE1-CG 4.47Å; Y114-K119 PolarHBondContact O-N 3.1Å; K119-S122 WeakPolarHBondContact O-CB 3.36Å; K119-S122 PolarHBondContact O-N 3.43Å; K119-S122 VanDerWaalsContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.18Å
120	A	93.3	Very high	95.9	Very high	53 Å²	53	71 Å²	71	44%	0.438	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	140.1	173.1	0	0	0	0	0	109.7	I118 S122 R133	I118-A120 PolarHBondContact O-N 3.42Å; A120-S122 PolarHBondContact O-N 3.44Å; A120-R133 VanDerWaalsContact CA-NH1 3.34Å
121	E	92.6	Very high	95.8	Very high	186 Å²	186	76.5 Å²	76.5	87%	0.869	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	20.2	-177.2	-47.7	175.5	141.8	0	0	113.3	E125	E121-E125 WeakPolarHBondContact CA-OE2 3.39Å; E121-E125 PolarHBondContact N-OE2 2.99Å
122	S	93.3	Very high	95.8	Very high	13 Å²	13	71.1 Å²	71.1	9%	0.091	35%	0.349	C	S	.	.			trans	-70.5	147.5	171.6	60	0	0	0	0	110.4	E115 Q116 K119 A120 K124 E125	E115-S122 VanDerWaalsContact O-CB 3.23Å; E115-S122 WeakPolarHBondContact O-CB 3.47Å; Q116-S122 WeakPolarHBondContact O-CB 3.42Å; Q116-S122 PolarHBondContact O-OG 3.46Å; K119-S122 WeakPolarHBondContact O-CB 3.36Å; K119-S122 PolarHBondContact O-N 3.43Å; K119-S122 VanDerWaalsContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.18Å; A120-S122 PolarHBondContact O-N 3.44Å; S122-K124 PolarHBondContact O-N 3.27Å; S122-E125 WeakPolarHBondContact O-CB 3.23Å; S122-E125 PolarHBondContact O-N 2.92Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 VanDerWaalsContact OG-CA 3.27Å; S122-E125 WeakPolarHBondContact OG-CA 3.46Å; S122-E125 WeakPolarHBondContact OG-CB 3.34Å; S122-E125 PolarHBondContact OG-N 3.23Å
123	P	90.6	Very high	95.8	Very high	126 Å²	126	66.8 Å²	66.8	82%	0.818	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	-175.6	25.7	-36.1	0	0	0	113.9
124	K	95.7	Very high	95.7	Very high	65 Å²	65	69 Å²	69	28%	0.283	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	37.6	177.5	-66	-166.2	180	-175.3	0	111	E86 E89 Q116 F117 S122 I126	E86-K124 HydrophobicContact CB-CB 3.85Å; E86-K124 HydrophobicContact CB-CG 4.35Å; E89-K124 IonicContact OE1-NZ 2.65Å; E89-K124 PolarHBondContact OE1-NZ 2.9Å; E89-K124 IonicContact OE2-NZ 2.69Å; E89-K124 PolarHBondContact OE2-NZ 3.2Å; Q116-K124 HydrophobicContact CG-CB 4.43Å; Q116-K124 CarbonylContact O-C 3.57Å; Q116-K124 WeakPolarHBondContact O-CB 3.47Å; Q116-K124 PolarHBondContact O-N 3.45Å; F117-K124 WeakPolarHBondContact CA-O 3.31Å; F117-K124 HydrophobicContact CD1-CB 3.9Å; F117-K124 VanDerWaalsContact CD1-O 3.28Å; F117-K124 WeakPolarHBondContact CD1-O 3.47Å; F117-K124 HydrophobicContact CE1-CB 3.92Å; F117-K124 HydrophobicContact CE1-CD 4.11Å; S122-K124 PolarHBondContact O-N 3.27Å; K124-I126 PolarHBondContact O-N 2.96Å
125	E	96.4	Very high	95.7	Very high	68 Å²	68	70.1 Å²	70.1	32%	0.318	35%	0.346	S	S	.	.			trans	-56.8	123.4	-179.2	-174.7	174.9	175.7	0	0	111.5	F117 E121 S122 R133	F117-E125 WeakPolarHBondContact O-CA 3.29Å; E121-E125 WeakPolarHBondContact CA-OE2 3.39Å; E121-E125 PolarHBondContact N-OE2 2.99Å; S122-E125 WeakPolarHBondContact O-CB 3.23Å; S122-E125 PolarHBondContact O-N 2.92Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 VanDerWaalsContact OG-CA 3.27Å; S122-E125 WeakPolarHBondContact OG-CA 3.46Å; S122-E125 WeakPolarHBondContact OG-CB 3.34Å; S122-E125 PolarHBondContact OG-N 3.23Å; E125-R133 IonicContact OE1-CZ 3.11Å; E125-R133 IonicContact OE1-NH1 3.59Å; E125-R133 PolarHBondContact OE1-NH1 3.34Å; E125-R133 IonicContact OE1-NH2 2.68Å; E125-R133 PolarHBondContact OE1-NH2 3.45Å
126	I	96.9	Very high	95.6	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	32%	0.32	C	S	.	.			trans	-83.4	150	176.1	60.1	170.6	0	0	0	111.3	E86 F90 F117 I118 K124 I128 A151 V155	E86-I126 HydrophobicContact CG-CG2 4.45Å; F90-I126 HydrophobicContact CB-CG2 3.81Å; F90-I126 HydrophobicContact CD1-CD1 3.68Å; F90-I126 HydrophobicContact CD1-CG2 4.32Å; F90-I126 HydrophobicContact CD2-CD1 4.11Å; F90-I126 HydrophobicContact CE1-CD1 3.48Å; F90-I126 VanDerWaalsContact CE1-CD1 3.48Å; F90-I126 HydrophobicContact CE2-CD1 3.95Å; F90-I126 HydrophobicContact CG-CD1 3.98Å; F90-I126 HydrophobicContact CG-CG2 3.97Å; F90-I126 HydrophobicContact CZ-CD1 3.63Å; F117-I126 HydrophobicContact CB-CG2 4.27Å; F117-I126 HydrophobicContact CD1-CG2 4.14Å; F117-I126 WeakPolarHBondContact O-CG1 3.32Å; F117-I126 PolarHBondContact O-N 3.17Å; I118-I126 HydrophobicContact CD1-CD1 3.66Å; I118-I126 HydrophobicContact CD1-CG1 4.13Å; K124-I126 PolarHBondContact O-N 2.96Å; I126-I128 HydrophobicContact CD1-CD1 4.27Å; I126-I128 HydrophobicContact CD1-CG2 3.77Å; I126-I128 HydrophobicContact CG1-CD1 4.33Å; I126-I128 HydrophobicContact CG1-CG1 4.26Å; I126-I128 HydrophobicContact CG1-CG2 4.02Å; I126-I128 PolarHBondContact O-N 3.04Å; I126-A151 HydrophobicContact CD1-CB 4.13Å; I126-V155 HydrophobicContact CB-CG2 4.02Å; I126-V155 HydrophobicContact CD1-CG2 3.63Å; I126-V155 HydrophobicContact CG1-CG2 4.34Å; I126-V155 HydrophobicContact CG2-CG2 4.29Å
127	N	95.1	Very high	95.6	Very high	117 Å²	117	65.8 Å²	65.8	63%	0.626	33%	0.325	S	S	*	.			trans	-76.9	91.3	178.3	-172.5	4.5	0	0	0	111.6	L158	N127-L158 HydrophobicContact CB-CD2 4.05Å
128	I	96	Very high	95.5	Very high	13 Å²	13	72.6 Å²	72.6	7%	0.067	35%	0.35	C	S	.	.			trans	-131	152.7	174.7	60.1	172.3	0	0	0	111.2	I118 I126 T132 R133 I136 A151 I154	I118-I128 HydrophobicContact CD1-CD1 4.05Å; I118-I128 HydrophobicContact CG2-CD1 4.27Å; I126-I128 HydrophobicContact CD1-CD1 4.27Å; I126-I128 HydrophobicContact CD1-CG2 3.77Å; I126-I128 HydrophobicContact CG1-CD1 4.33Å; I126-I128 HydrophobicContact CG1-CG1 4.26Å; I126-I128 HydrophobicContact CG1-CG2 4.02Å; I126-I128 PolarHBondContact O-N 3.04Å; I128-T132 HydrophobicContact CB-CG2 4.5Å; I128-T132 HydrophobicContact CD1-CG2 4.21Å; I128-R133 HydrophobicContact CD1-CB 4.15Å; I128-I136 HydrophobicContact CD1-CD1 4.2Å; I128-A151 HydrophobicContact CD1-CB 4.46Å; I128-A151 HydrophobicContact CG2-CB 4.23Å; I128-I154 HydrophobicContact CG2-CB 4.44Å; I128-I154 HydrophobicContact CG2-CG2 4.06Å
129	D	95.4	Very high	95.3	Very high	90 Å²	90	75 Å²	75	48%	0.481	36%	0.363	S	S	.	.			trans	-70.6	162.7	179.7	78.5	-25.4	0	0	0	112.6	H131 T132 R133	D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.44Å; D129-T132 PolarHBondContact O-N 3.42Å; D129-T132 WeakPolarHBondContact OD1-CB 3.4Å; D129-T132 PolarHBondContact OD1-N 3.44Å; D129-T132 PolarHBondContact OD1-OG1 3.39Å; D129-R133 PolarHBondContact O-N 3.08Å; D129-R133 VanDerWaalsContact O-N 3.15Å
130	Y	95.3	Very high	95.3	Very high	172 Å²	172	70.2 Å²	70.2	68%	0.675	34%	0.344	S	S	*	.	H	α-helix	trans	-58.3	-40.1	-178.5	174.3	-98.3	0	0	0	112.3	R133 E134	Y130-R133 PolarHBondContact O-N 3.17Å; Y130-E134 HydrophobicContact CD1-CG 4.47Å; Y130-E134 HydrophobicContact CD2-CG 4.36Å; Y130-E134 HydrophobicContact CE1-CG 3.91Å; Y130-E134 HydrophobicContact CE2-CG 3.78Å; Y130-E134 PolarHBondContact O-N 3Å
131	H	96.2	Very high	95.3	Very high	114 Å²	114	75.7 Å²	75.7	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-47	-177.8	-178.7	-87.4	0	0	0	111.7	D129 R133 E134 Q135	D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.44Å; H131-R133 VanDerWaalsContact C-N 3.31Å; H131-R133 PolarHBondContact O-N 3.16Å; H131-E134 PolarHBondContact O-N 3.27Å; H131-Q135 WeakPolarHBondContact O-CB 3.41Å; H131-Q135 PolarHBondContact O-N 3.02Å
132	T	96.4	Very high	95.3	Very high	9 Å²	9	72.4 Å²	72.4	6%	0.055	35%	0.35	C	S	.	.	H	α-helix	trans	-60.4	-43	176.8	-59.4	0	0	0	0	111.2	I128 D129 E134 Q135 I136 E150 A151 I154	I128-T132 HydrophobicContact CB-CG2 4.5Å; I128-T132 HydrophobicContact CD1-CG2 4.21Å; D129-T132 PolarHBondContact O-N 3.42Å; D129-T132 WeakPolarHBondContact OD1-CB 3.4Å; D129-T132 PolarHBondContact OD1-N 3.44Å; D129-T132 PolarHBondContact OD1-OG1 3.39Å; T132-E134 PolarHBondContact O-N 3.31Å; T132-Q135 WeakPolarHBondContact O-CB 3.19Å; T132-Q135 PolarHBondContact O-N 3.41Å; T132-I136 HydrophobicContact CG2-CD1 3.91Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.11Å; T132-E150 HydrophobicContact CG2-CG 4.35Å; T132-A151 HydrophobicContact CG2-CB 4.09Å; T132-I154 HydrophobicContact CG2-CD1 4.04Å
133	R	97.1	Very high	95.4	Very high	34 Å²	34	72.9 Å²	72.9	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-47.2	178.5	-171	-175	-53.8	-116.7	8.3	112.7	I118 A120 E125 I128 D129 Y130 H131 Q135 I136 K137	I118-R133 HydrophobicContact CG2-CG 3.9Å; I118-R133 PolarHBondContact O-NH1 2.79Å; A120-R133 VanDerWaalsContact CA-NH1 3.34Å; E125-R133 IonicContact OE1-CZ 3.11Å; E125-R133 IonicContact OE1-NH1 3.59Å; E125-R133 PolarHBondContact OE1-NH1 3.34Å; E125-R133 IonicContact OE1-NH2 2.68Å; E125-R133 PolarHBondContact OE1-NH2 3.45Å; I128-R133 HydrophobicContact CD1-CB 4.15Å; D129-R133 PolarHBondContact O-N 3.08Å; D129-R133 VanDerWaalsContact O-N 3.15Å; Y130-R133 PolarHBondContact O-N 3.17Å; H131-R133 VanDerWaalsContact C-N 3.31Å; H131-R133 PolarHBondContact O-N 3.16Å; R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 2.79Å; R133-I136 PolarHBondContact O-N 3.12Å; R133-K137 WeakPolarHBondContact O-CB 3.31Å; R133-K137 PolarHBondContact O-N 3.27Å
134	E	96.6	Very high	95.6	Very high	49 Å²	49	70.3 Å²	70.3	23%	0.229	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-31.5	178.4	-75.5	-59.9	117.8	0	0	112.3	Y130 H131 T132 K137 R138	Y130-E134 HydrophobicContact CD1-CG 4.47Å; Y130-E134 HydrophobicContact CD2-CG 4.36Å; Y130-E134 HydrophobicContact CE1-CG 3.91Å; Y130-E134 HydrophobicContact CE2-CG 3.78Å; Y130-E134 PolarHBondContact O-N 3Å; H131-E134 PolarHBondContact O-N 3.27Å; T132-E134 PolarHBondContact O-N 3.31Å; E134-K137 VanDerWaalsContact OE1-CD 3.27Å; E134-K137 WeakPolarHBondContact OE1-CD 3.37Å; E134-K137 IonicContact OE1-NZ 2.86Å; E134-K137 PolarHBondContact OE1-NZ 2.66Å; E134-K137 WeakPolarHBondContact OE2-CD 3.19Å; E134-K137 IonicContact OE2-NZ 3Å; E134-K137 PolarHBondContact OE2-NZ 3.4Å; E134-R138 PolarHBondContact O-N 3.42Å; E134-R138 PolarHBondContact O-NE 2.85Å
135	Q	96.3	Very high	95.5	Very high	66 Å²	66	71.7 Å²	71.7	31%	0.308	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-47.9	171.2	179.4	171.1	-24.5	0	0	111.5	H131 T132 R133 K137 R138 N139	H131-Q135 WeakPolarHBondContact O-CB 3.41Å; H131-Q135 PolarHBondContact O-N 3.02Å; T132-Q135 WeakPolarHBondContact O-CB 3.19Å; T132-Q135 PolarHBondContact O-N 3.41Å; R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 2.79Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 2.98Å; Q135-R138 WeakPolarHBondContact O-CB 3.33Å; Q135-R138 PolarHBondContact O-N 2.85Å; Q135-R138 VanDerWaalsContact O-N 3.16Å; Q135-N139 VanDerWaalsContact O-CG 3.25Å; Q135-N139 PolarHBondContact O-N 3.49Å; Q135-N139 PolarHBondContact O-OD1 2.85Å
136	I	96.9	Very high	95.5	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-42.9	178	-66.4	166.8	0	0	0	110.8	Y114 I118 I128 T132 R133 R138 N139 V140 F148 A151	Y114-I136 HydrophobicContact CD2-CG2 4.15Å; I118-I136 HydrophobicContact CD1-CD1 3.96Å; I118-I136 HydrophobicContact CG1-CG2 4.17Å; I118-I136 HydrophobicContact CG2-CB 4.16Å; I118-I136 HydrophobicContact CG2-CD1 4.34Å; I118-I136 HydrophobicContact CG2-CG2 3.97Å; I128-I136 HydrophobicContact CD1-CD1 4.2Å; T132-I136 HydrophobicContact CG2-CD1 3.91Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.11Å; R133-I136 PolarHBondContact O-N 3.12Å; I136-R138 PolarHBondContact O-N 3Å; I136-N139 CarbonylContact O-C 3.48Å; I136-N139 PolarHBondContact O-N 2.81Å; I136-V140 HydrophobicContact CG2-CG2 3.86Å; I136-V140 VanDerWaalsContact O-CG2 3.24Å; I136-V140 WeakPolarHBondContact O-CG2 3.38Å; I136-V140 PolarHBondContact O-N 3.28Å; I136-F148 HydrophobicContact CD1-CD1 4.46Å; I136-F148 HydrophobicContact CG2-CD1 3.74Å; I136-F148 HydrophobicContact CG2-CE1 3.5Å; I136-F148 VanDerWaalsContact CG2-CE1 3.5Å; I136-A151 HydrophobicContact CD1-CB 3.47Å; I136-A151 VanDerWaalsContact CD1-CB 3.47Å
137	K	96.1	Very high	95.5	Very high	86 Å²	86	73.8 Å²	73.8	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-34.7	175.9	-176.8	-175.9	178.5	-170.4	0	112.9	Y114 R133 E134 Q135	Y114-K137 HydrophobicContact CE2-CB 3.79Å; Y114-K137 HydrophobicContact CE2-CG 4.22Å; R133-K137 WeakPolarHBondContact O-CB 3.31Å; R133-K137 PolarHBondContact O-N 3.27Å; E134-K137 VanDerWaalsContact OE1-CD 3.27Å; E134-K137 WeakPolarHBondContact OE1-CD 3.37Å; E134-K137 IonicContact OE1-NZ 2.86Å; E134-K137 PolarHBondContact OE1-NZ 2.66Å; E134-K137 WeakPolarHBondContact OE2-CD 3.19Å; E134-K137 IonicContact OE2-NZ 3Å; E134-K137 PolarHBondContact OE2-NZ 3.4Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 2.98Å
138	R	95.8	Very high	95.6	Very high	143 Å²	143	68.3 Å²	68.3	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-72.8	-47	171.5	-72.3	-178.4	-74.2	129	-7.4	111.4	E134 Q135 I136 V140 K141	E134-R138 PolarHBondContact O-N 3.42Å; E134-R138 PolarHBondContact O-NE 2.85Å; Q135-R138 WeakPolarHBondContact O-CB 3.33Å; Q135-R138 PolarHBondContact O-N 2.85Å; Q135-R138 VanDerWaalsContact O-N 3.16Å; I136-R138 PolarHBondContact O-N 3Å; R138-V140 VanDerWaalsContact C-N 3.28Å; R138-V140 PolarHBondContact O-N 3.43Å; R138-K141 WeakPolarHBondContact O-CB 3.5Å; R138-K141 PolarHBondContact O-N 3.36Å; R138-K141 VanDerWaalsContact O-N 3.11Å
139	N	94.3	Very high	95.6	Very high	50 Å²	50	69.6 Å²	69.6	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-34.9	-179	-65.2	-9.4	0	0	0	112.8	Q135 I136 K141 T142 P143 C147	Q135-N139 VanDerWaalsContact O-CG 3.25Å; Q135-N139 PolarHBondContact O-N 3.49Å; Q135-N139 PolarHBondContact O-OD1 2.85Å; I136-N139 CarbonylContact O-C 3.48Å; I136-N139 PolarHBondContact O-N 2.81Å; N139-K141 PolarHBondContact O-N 3.38Å; N139-T142 CarbonylContact O-C 3.6Å; N139-T142 PolarHBondContact O-N 3.23Å; N139-T142 VanDerWaalsContact O-N 3.13Å; N139-T142 VanDerWaalsContact O-O 3.1Å; N139-P143 WeakPolarHBondContact O-CA 3.43Å; N139-C147 HydrophobicContact CB-CB 4.45Å; N139-C147 WeakPolarHBondContact CB-SG 3.25Å; N139-C147 PolarHBondContact ND2-O 2.7Å
140	V	95.3	Very high	95.7	Very high	15 Å²	15	69.7 Å²	69.7	9%	0.091	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.6	180	173.8	0	0	0	0	112.4	A110 K111 Y114 I136 R138 P143 F148	A110-V140 HydrophobicContact CB-CG1 4.33Å; K111-V140 HydrophobicContact CG-CG1 4.15Å; Y114-V140 HydrophobicContact CD2-CG2 4.22Å; Y114-V140 HydrophobicContact CG-CG2 4.41Å; I136-V140 HydrophobicContact CG2-CG2 3.86Å; I136-V140 VanDerWaalsContact O-CG2 3.24Å; I136-V140 WeakPolarHBondContact O-CG2 3.38Å; I136-V140 PolarHBondContact O-N 3.28Å; R138-V140 VanDerWaalsContact C-N 3.28Å; R138-V140 PolarHBondContact O-N 3.43Å; V140-P143 VanDerWaalsContact O-CG 3.24Å; V140-P143 WeakPolarHBondContact O-CG 3.29Å; V140-F148 HydrophobicContact CG2-CE1 4.1Å; V140-F148 HydrophobicContact CG2-CZ 3.98Å
141	K	93.5	Very high	95.8	Very high	167 Å²	167	61.5 Å²	61.5	73%	0.726	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-32.1	172.2	-61.6	-177.6	-179.8	-178	0	112.4	R138 N139	R138-K141 WeakPolarHBondContact O-CB 3.5Å; R138-K141 PolarHBondContact O-N 3.36Å; R138-K141 VanDerWaalsContact O-N 3.11Å; N139-K141 PolarHBondContact O-N 3.38Å
142	T	93.1	Very high	95.9	Very high	117 Å²	117	56.5 Å²	56.5	72%	0.718	27%	0.274	S	S	*	.	S	Bend	trans	-136.2	77.1	175.7	-50.6	0	0	0	0	108.8	N139 T144	N139-T142 CarbonylContact O-C 3.6Å; N139-T142 PolarHBondContact O-N 3.23Å; N139-T142 VanDerWaalsContact O-N 3.13Å; N139-T142 VanDerWaalsContact O-O 3.1Å; T142-T144 PolarHBondContact O-N 3.16Å
143	P	94.2	Very high	96	Very high	23 Å²	23	62.7 Å²	62.7	15%	0.149	30%	0.3	C	S	.	.			trans	-67.3	134.3	-166.8	-25.6	39	0	0	0	112.9	Y97 L106 A110 N139 V140	Y97-P143 WeakPolarHBondContact OH-CB 3.41Å; L106-P143 HydrophobicContact CD2-CB 4.5Å; L106-P143 WeakPolarHBondContact CD2-O 3.47Å; L106-P143 HydrophobicContact CG-CB 4.42Å; A110-P143 HydrophobicContact CB-CB 3.72Å; A110-P143 HydrophobicContact CB-CG 3.72Å; N139-P143 WeakPolarHBondContact O-CA 3.43Å; V140-P143 VanDerWaalsContact O-CG 3.24Å; V140-P143 WeakPolarHBondContact O-CG 3.29Å
144	T	95.1	Very high	96	Very high	73 Å²	73	63.5 Å²	63.5	45%	0.448	31%	0.306	S	S	.	.			trans	-113.7	168.9	167.1	68.6	0	0	0	0	109.3	Y97 T142 H146 C147	Y97-T144 VanDerWaalsContact CE1-O 3.22Å; Y97-T144 WeakPolarHBondContact CE1-O 3.22Å; Y97-T144 PolarHBondContact OH-O 2.81Å; T142-T144 PolarHBondContact O-N 3.16Å; T144-H146 PolarHBondContact O-N 2.96Å; T144-H146 PolarHBondContact OG1-N 2.82Å; T144-C147 VanDerWaalsContact O-CB 3.29Å; T144-C147 WeakPolarHBondContact O-CB 3.37Å; T144-C147 PolarHBondContact O-N 3.33Å
145	M	94.4	Very high	96.1	Very high	94 Å²	94	61.1 Å²	61.1	46%	0.463	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.3	173.7	62	-177.3	66.4	0	0	113.1
146	H	95.4	Very high	96.2	Very high	111 Å²	111	60.3 Å²	60.3	51%	0.514	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	11	-179.3	-57.5	-64	0	0	0	113.7	T144 F148 D149	T144-H146 PolarHBondContact O-N 2.96Å; T144-H146 PolarHBondContact OG1-N 2.82Å; H146-F148 PolarHBondContact O-N 2.92Å; H146-F148 VanDerWaalsContact O-N 3.1Å; H146-D149 WeakPolarHBondContact CB-OD2 3.26Å; H146-D149 IonicContact CE1-OD2 2.92Å; H146-D149 IonicContact CG-OD2 3.9Å; H146-D149 IonicContact ND1-OD2 3.43Å; H146-D149 PolarHBondContact ND1-OD2 3.25Å; H146-D149 PolarHBondContact O-N 3.42Å
147	C	96.1	Very high	96.2	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.02	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-33	-173.5	-168.3	0	0	0	0	113.4	Y97 N139 T144	Y97-C147 HydrophobicContact CE1-CB 4.04Å; N139-C147 HydrophobicContact CB-CB 4.45Å; N139-C147 WeakPolarHBondContact CB-SG 3.25Å; N139-C147 PolarHBondContact ND2-O 2.7Å; T144-C147 VanDerWaalsContact O-CB 3.29Å; T144-C147 WeakPolarHBondContact O-CB 3.37Å; T144-C147 PolarHBondContact O-N 3.33Å
148	F	97.7	Very high	96.2	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	5.9	-171.8	-55.2	-73.2	0	0	0	114.1	F90 Y97 A110 I113 I118 I136 V140 H146 E150 A151 Q152	F90-F148 HydrophobicContact CE2-CD1 4.47Å; F90-F148 HydrophobicContact CZ-CB 4.26Å; Y97-F148 AromaticContact CD1-CD2 3.78Å; Y97-F148 HydrophobicContact CD1-CD2 3.78Å; Y97-F148 HydrophobicContact CD1-CE2 4.11Å; Y97-F148 HydrophobicContact CD2-CE2 4.18Å; Y97-F148 AromaticContact CE1-CD2 3.74Å; Y97-F148 HydrophobicContact CE1-CD2 3.74Å; Y97-F148 AromaticContact CE1-CE2 3.84Å; Y97-F148 HydrophobicContact CE1-CE2 3.84Å; Y97-F148 AromaticContact CE2-CE2 3.92Å; Y97-F148 HydrophobicContact CE2-CE2 3.92Å; Y97-F148 HydrophobicContact CG-CD2 4.22Å; Y97-F148 HydrophobicContact CG-CE2 4.27Å; Y97-F148 AromaticContact CZ-CE2 3.75Å; A110-F148 HydrophobicContact CB-CE2 4.22Å; A110-F148 HydrophobicContact CB-CZ 4.16Å; I113-F148 HydrophobicContact CB-CE1 4.15Å; I113-F148 HydrophobicContact CB-CE2 4.07Å; I113-F148 HydrophobicContact CB-CZ 3.71Å; I113-F148 HydrophobicContact CD1-CD2 4.18Å; I113-F148 HydrophobicContact CD1-CE2 3.74Å; I113-F148 HydrophobicContact CD1-CZ 4.28Å; I113-F148 HydrophobicContact CG2-CD1 3.93Å; I113-F148 HydrophobicContact CG2-CD2 4.29Å; I113-F148 HydrophobicContact CG2-CE1 3.57Å; I113-F148 HydrophobicContact CG2-CE2 3.97Å; I113-F148 HydrophobicContact CG2-CG 4.28Å; I113-F148 HydrophobicContact CG2-CZ 3.61Å; I118-F148 HydrophobicContact CG1-CE1 4.32Å; I136-F148 HydrophobicContact CD1-CD1 4.46Å; I136-F148 HydrophobicContact CG2-CD1 3.74Å; I136-F148 HydrophobicContact CG2-CE1 3.5Å; I136-F148 VanDerWaalsContact CG2-CE1 3.5Å; V140-F148 HydrophobicContact CG2-CE1 4.1Å; V140-F148 HydrophobicContact CG2-CZ 3.98Å; H146-F148 PolarHBondContact O-N 2.92Å; H146-F148 VanDerWaalsContact O-N 3.1Å; F148-E150 VanDerWaalsContact C-N 3.28Å; F148-E150 PolarHBondContact O-N 3.36Å; F148-A151 PolarHBondContact O-N 2.96Å; F148-Q152 WeakPolarHBondContact O-CB 3.32Å; F148-Q152 PolarHBondContact O-N 3.22Å
149	D	97.3	Very high	96.3	Very high	40 Å²	40	51.6 Å²	51.6	21%	0.214	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-40.5	-171.3	-76	3.4	0	0	0	112.7	K98 H146 Q152 K153	K98-D149 VanDerWaalsContact CE-OD1 3.26Å; K98-D149 WeakPolarHBondContact CE-OD1 3.45Å; H146-D149 WeakPolarHBondContact CB-OD2 3.26Å; H146-D149 IonicContact CE1-OD2 2.92Å; H146-D149 IonicContact CG-OD2 3.9Å; H146-D149 IonicContact ND1-OD2 3.43Å; H146-D149 PolarHBondContact ND1-OD2 3.25Å; H146-D149 PolarHBondContact O-N 3.42Å; D149-Q152 PolarHBondContact O-N 2.9Å; D149-K153 WeakPolarHBondContact O-CG 3.28Å; D149-K153 PolarHBondContact O-N 3.36Å
150	E	96.8	Very high	96.5	Very high	92 Å²	92	53 Å²	53	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-48.8	-179.8	-168.7	59.6	-160.4	0	0	112.1	T132 F148 Q152 K153 I154	T132-E150 HydrophobicContact CG2-CG 4.35Å; F148-E150 VanDerWaalsContact C-N 3.28Å; F148-E150 PolarHBondContact O-N 3.36Å; E150-Q152 VanDerWaalsContact C-N 3.26Å; E150-Q152 PolarHBondContact O-N 3.12Å; E150-K153 PolarHBondContact O-N 3.34Å; E150-I154 HydrophobicContact CG-CD1 4.31Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.83Å
151	A	97.7	Very high	96.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-37.7	175.2	0	0	0	0	0	111.8	F90 I126 I128 T132 I136 F148 K153 I154 V155	F90-A151 HydrophobicContact CE1-CB 3.95Å; F90-A151 HydrophobicContact CZ-CB 3.76Å; I126-A151 HydrophobicContact CD1-CB 4.13Å; I128-A151 HydrophobicContact CD1-CB 4.46Å; I128-A151 HydrophobicContact CG2-CB 4.23Å; T132-A151 HydrophobicContact CG2-CB 4.09Å; I136-A151 HydrophobicContact CD1-CB 3.47Å; I136-A151 VanDerWaalsContact CD1-CB 3.47Å; F148-A151 PolarHBondContact O-N 2.96Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.01Å; A151-I154 PolarHBondContact O-N 3.26Å; A151-V155 WeakPolarHBondContact O-CG2 3.3Å; A151-V155 PolarHBondContact O-N 2.95Å
152	Q	98.1	Very high	96.8	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-40.9	177.9	-169.2	-176	11.7	0	0	111.9	F90 W91 C94 E95 F148 D149 E150 V155 Y156	F90-Q152 HydrophobicContact CE1-CB 4.39Å; W91-Q152 VanDerWaalsContact CD1-CG 3.43Å; W91-Q152 HydrophobicContact CG-CG 4.2Å; W91-Q152 PolarHBondContact O-NE2 2.8Å; C94-Q152 HydrophobicContact CB-CB 4.27Å; C94-Q152 VanDerWaalsContact CB-CD 3.42Å; C94-Q152 HydrophobicContact CB-CG 3.92Å; E95-Q152 PolarHBondContact OE1-NE2 3.42Å; F148-Q152 WeakPolarHBondContact O-CB 3.32Å; F148-Q152 PolarHBondContact O-N 3.22Å; D149-Q152 PolarHBondContact O-N 2.9Å; E150-Q152 VanDerWaalsContact C-N 3.26Å; E150-Q152 PolarHBondContact O-N 3.12Å; Q152-V155 PolarHBondContact O-N 2.93Å; Q152-Y156 WeakPolarHBondContact O-CB 3.49Å; Q152-Y156 PolarHBondContact O-N 3.1Å
153	K	97.8	Very high	97	Very high	138 Å²	138	50.8 Å²	50.8	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-62.8	-43.9	173.7	-72.2	171.8	-174.1	174.8	0	112	D149 E150 A151 Y156 G157	D149-K153 WeakPolarHBondContact O-CG 3.28Å; D149-K153 PolarHBondContact O-N 3.36Å; E150-K153 PolarHBondContact O-N 3.34Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.01Å; K153-Y156 PolarHBondContact O-N 2.99Å; K153-G157 PolarHBondContact O-N 3.31Å
154	I	97.8	Very high	97.1	Very high	51 Å²	51	50.5 Å²	50.5	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-48.6	178	-67.7	166.1	0	0	0	110.5	I128 T132 E150 A151 G157 L158	I128-I154 HydrophobicContact CG2-CB 4.44Å; I128-I154 HydrophobicContact CG2-CG2 4.06Å; T132-I154 HydrophobicContact CG2-CD1 4.04Å; E150-I154 HydrophobicContact CG-CD1 4.31Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.83Å; A151-I154 PolarHBondContact O-N 3.26Å; I154-G157 PolarHBondContact O-N 3.37Å; I154-L158 WeakPolarHBondContact O-CB 3.47Å; I154-L158 PolarHBondContact O-N 2.61Å
155	V	97.9	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-39.8	-180	172.9	0	0	0	0	111.9	N87 F90 I126 A151 Q152 L158 M159	N87-V155 HydrophobicContact CB-CG1 3.72Å; N87-V155 VanDerWaalsContact O-CG1 3.28Å; N87-V155 WeakPolarHBondContact O-CG1 3.37Å; F90-V155 HydrophobicContact CD1-CB 4.1Å; F90-V155 HydrophobicContact CD1-CG1 4.21Å; F90-V155 HydrophobicContact CD1-CG2 3.79Å; F90-V155 HydrophobicContact CE1-CB 4.46Å; F90-V155 HydrophobicContact CE1-CG2 4.03Å; I126-V155 HydrophobicContact CB-CG2 4.02Å; I126-V155 HydrophobicContact CD1-CG2 3.63Å; I126-V155 HydrophobicContact CG1-CG2 4.34Å; I126-V155 HydrophobicContact CG2-CG2 4.29Å; A151-V155 WeakPolarHBondContact O-CG2 3.3Å; A151-V155 PolarHBondContact O-N 2.95Å; Q152-V155 PolarHBondContact O-N 2.93Å; V155-L158 WeakPolarHBondContact O-CB 3.43Å; V155-L158 PolarHBondContact O-N 3.32Å; V155-M159 HydrophobicContact CG1-CE 4.27Å; V155-M159 PolarHBondContact O-N 3.3Å
156	Y	98.2	Very high	97.4	Very high	49 Å²	49	48.3 Å²	48.3	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-50.2	172.7	-179.7	-86.1	0	0	0	110.9	L62 E63 L66 W91 Q152 K153 L158 M159 E160	L62-Y156 HydrophobicContact CB-CE2 4.25Å; L62-Y156 HydrophobicContact CD2-CD2 3.96Å; L62-Y156 HydrophobicContact CD2-CE1 4.41Å; L62-Y156 HydrophobicContact CD2-CE2 3.69Å; L62-Y156 HydrophobicContact CD2-CG 4.45Å; L62-Y156 HydrophobicContact CG-CE2 3.81Å; E63-Y156 PolarHBondContact N-OH 3.17Å; E63-Y156 VanDerWaalsContact N-OH 3.17Å; L66-Y156 HydrophobicContact CD1-CD2 4.41Å; L66-Y156 HydrophobicContact CD1-CE2 4.19Å; W91-Y156 AromaticContact NE1-CD2 3.62Å; Q152-Y156 WeakPolarHBondContact O-CB 3.49Å; Q152-Y156 PolarHBondContact O-N 3.1Å; K153-Y156 PolarHBondContact O-N 2.99Å; Y156-L158 VanDerWaalsContact C-N 3.28Å; Y156-L158 PolarHBondContact O-N 3.27Å; Y156-M159 PolarHBondContact O-N 3.17Å; Y156-E160 HydrophobicContact CE1-CB 4.34Å; Y156-E160 WeakPolarHBondContact CE1-OE1 3.44Å; Y156-E160 WeakPolarHBondContact O-CB 3.13Å; Y156-E160 PolarHBondContact O-N 2.92Å
157	G	97.8	Very high	97.5	Very high	7 Å²	7	43 Å²	43	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-29.9	178	0	0	0	0	0	113.7	K153 I154 R161	K153-G157 PolarHBondContact O-N 3.31Å; I154-G157 PolarHBondContact O-N 3.37Å; G157-R161 WeakPolarHBondContact O-CB 3.38Å; G157-R161 VanDerWaalsContact O-CG 3.32Å; G157-R161 WeakPolarHBondContact O-CG 3.41Å; G157-R161 VanDerWaalsContact O-CZ 3.23Å; G157-R161 PolarHBondContact O-N 3.14Å; G157-R161 VanDerWaalsContact O-N 3.08Å; G157-R161 PolarHBondContact O-NE 3.19Å; G157-R161 PolarHBondContact O-NH1 3.4Å
158	L	97	Very high	97.4	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-52	172.1	177.9	65	0	0	0	110.8	N127 I154 V155 Y156 E160 R161 D162	N127-L158 HydrophobicContact CB-CD2 4.05Å; I154-L158 WeakPolarHBondContact O-CB 3.47Å; I154-L158 PolarHBondContact O-N 2.61Å; V155-L158 WeakPolarHBondContact O-CB 3.43Å; V155-L158 PolarHBondContact O-N 3.32Å; Y156-L158 VanDerWaalsContact C-N 3.28Å; Y156-L158 PolarHBondContact O-N 3.27Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.43Å; L158-R161 PolarHBondContact O-N 3.25Å; L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 PolarHBondContact O-N 3.12Å
159	M	97.8	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-43.3	176.6	-69.4	-172.5	-64.5	0	0	111.3	L62 F75 L79 N87 I88 W91 V155 Y156 R161 S163 Y164	L62-M159 HydrophobicContact CD2-CB 3.87Å; F75-M159 HydrophobicContact CE1-SD 4.01Å; F75-M159 HydrophobicContact CZ-CB 4.4Å; L79-M159 HydrophobicContact CD1-SD 4.26Å; N87-M159 HydrophobicContact CB-CG 3.78Å; N87-M159 HydrophobicContact CB-SD 3.81Å; I88-M159 HydrophobicContact CB-SD 3.92Å; I88-M159 HydrophobicContact CD1-CE 4.18Å; I88-M159 HydrophobicContact CD1-SD 4.24Å; W91-M159 HydrophobicContact CB-CE 4.06Å; W91-M159 HydrophobicContact CG-CE 4.23Å; V155-M159 HydrophobicContact CG1-CE 4.27Å; V155-M159 PolarHBondContact O-N 3.3Å; Y156-M159 PolarHBondContact O-N 3.17Å; M159-R161 PolarHBondContact O-N 3.39Å; M159-S163 PolarHBondContact O-N 3.22Å; M159-Y164 WeakPolarHBondContact O-CB 3.37Å; M159-Y164 PolarHBondContact O-N 2.95Å
160	E	98.1	Very high	97.1	Very high	79 Å²	79	52.1 Å²	52.1	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-36.8	-178.3	-174.2	174.7	-121.2	0	0	113.1	L62 Y156 L158 P165	L62-E160 HydrophobicContact CD2-CB 3.94Å; Y156-E160 HydrophobicContact CE1-CB 4.34Å; Y156-E160 WeakPolarHBondContact CE1-OE1 3.44Å; Y156-E160 WeakPolarHBondContact O-CB 3.13Å; Y156-E160 PolarHBondContact O-N 2.92Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.43Å; E160-P165 WeakPolarHBondContact O-CD 3.35Å
161	R	97.6	Very high	96.8	Very high	181 Å²	181	50.1 Å²	50.1	68%	0.683	23%	0.226	S	C	*	.	H	α-helix	trans	-87.9	-24.4	-178.8	-68.4	-173.7	-58.8	-94.4	-1.4	114.2	G157 L158 M159	G157-R161 WeakPolarHBondContact O-CB 3.38Å; G157-R161 VanDerWaalsContact O-CG 3.32Å; G157-R161 WeakPolarHBondContact O-CG 3.41Å; G157-R161 VanDerWaalsContact O-CZ 3.23Å; G157-R161 PolarHBondContact O-N 3.14Å; G157-R161 VanDerWaalsContact O-N 3.08Å; G157-R161 PolarHBondContact O-NE 3.19Å; G157-R161 PolarHBondContact O-NH1 3.4Å; L158-R161 PolarHBondContact O-N 3.25Å; M159-R161 PolarHBondContact O-N 3.39Å
162	D	96.5	Very high	96.3	Very high	71 Å²	71	51.4 Å²	51.4	38%	0.38	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-73.7	-174.2	178.2	49.7	0	0	0	112.7	L158 Y164 P165 R166	L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 PolarHBondContact O-N 3.12Å; D162-Y164 PolarHBondContact O-N 2.96Å; D162-P165 WeakPolarHBondContact O-CD 3.37Å; D162-R166 WeakPolarHBondContact O-CG 3.41Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD1-CZ 2.78Å; D162-R166 IonicContact OD1-NE 3.35Å; D162-R166 PolarHBondContact OD1-NE 3.28Å; D162-R166 IonicContact OD1-NH2 2.65Å; D162-R166 IonicContact OD2-CZ 3.28Å; D162-R166 IonicContact OD2-NE 3.9Å; D162-R166 IonicContact OD2-NH2 3.02Å; D162-R166 PolarHBondContact OD2-NH2 3.39Å
163	S	96.9	Very high	95.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-34.6	-171.1	-42.7	0	0	0	0	113.2	F78 M159 R166 F167	F78-S163 VanDerWaalsContact CE1-O 3.31Å; F78-S163 WeakPolarHBondContact CE1-O 3.44Å; M159-S163 PolarHBondContact O-N 3.22Å; S163-R166 PolarHBondContact O-N 3.37Å; S163-F167 WeakPolarHBondContact O-CB 3.36Å; S163-F167 PolarHBondContact O-N 3.19Å
164	Y	98.1	Very high	95.5	Very high	17 Å²	17	50.8 Å²	50.8	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-48.9	-177.4	171.6	-114.8	0	0	0	112.9	W58 S59 S61 L62 L65 M159 D162 R166 F167 L168	W58-Y164 WeakPolarHBondContact O-CE2 3.41Å; W58-Y164 PolarHBondContact O-OH 3.31Å; S59-Y164 VanDerWaalsContact C-OH 3.22Å; S59-Y164 WeakPolarHBondContact CA-OH 3.38Å; S59-Y164 PolarHBondContact O-OH 3.46Å; S61-Y164 WeakPolarHBondContact CA-OH 3.49Å; S61-Y164 PolarHBondContact N-OH 3.06Å; S61-Y164 PolarHBondContact O-OH 3.46Å; L62-Y164 HydrophobicContact CB-CD1 4.19Å; L62-Y164 HydrophobicContact CB-CD2 4.28Å; L62-Y164 HydrophobicContact CB-CE1 4.38Å; L62-Y164 HydrophobicContact CB-CE2 4.45Å; L62-Y164 HydrophobicContact CB-CG 4.14Å; L62-Y164 HydrophobicContact CD1-CD2 3.92Å; L62-Y164 HydrophobicContact CD1-CG 4.19Å; L65-Y164 HydrophobicContact CB-CE2 4.29Å; L65-Y164 HydrophobicContact CD2-CD2 3.64Å; L65-Y164 HydrophobicContact CD2-CE2 3.71Å; M159-Y164 WeakPolarHBondContact O-CB 3.37Å; M159-Y164 PolarHBondContact O-N 2.95Å; D162-Y164 PolarHBondContact O-N 2.96Å; Y164-R166 PolarHBondContact O-N 2.91Å; Y164-F167 HydrophobicContact CD2-CD1 4.44Å; Y164-F167 WeakPolarHBondContact O-CB 3.3Å; Y164-F167 PolarHBondContact O-N 3.47Å; Y164-F167 VanDerWaalsContact O-N 3.16Å; Y164-L168 HydrophobicContact CD2-CG 4.36Å; Y164-L168 HydrophobicContact CE1-CD1 3.98Å; Y164-L168 HydrophobicContact CE2-CD1 3.99Å; Y164-L168 HydrophobicContact CE2-CD2 4.01Å; Y164-L168 HydrophobicContact CE2-CG 3.99Å; Y164-L168 WeakPolarHBondContact O-CG 3.43Å; Y164-L168 PolarHBondContact O-N 3.18Å
165	P	97.6	Very high	95	Very high	44 Å²	44	49 Å²	49	29%	0.286	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-29.2	172	-25.6	33.6	0	0	0	113.7	E160 D162 R169	E160-P165 WeakPolarHBondContact O-CD 3.35Å; D162-P165 WeakPolarHBondContact O-CD 3.37Å; P165-R169 PolarHBondContact O-NE 3.03Å
166	R	97.1	Very high	94.4	Very high	77 Å²	77	49 Å²	49	29%	0.291	22%	0.218	S	C	.	.	H	α-helix	trans	-73.6	-41.3	173.9	-67.9	-170.6	-69.8	118.4	2	111.2	F78 E82 D162 S163 Y164 L168 R169 S170	F78-R166 HydrophobicContact CE1-CB 4.43Å; F78-R166 HydrophobicContact CZ-CB 3.82Å; E82-R166 IonicContact OE1-CZ 3.55Å; E82-R166 IonicContact OE1-NH1 3.56Å; E82-R166 PolarHBondContact OE1-NH1 3.27Å; E82-R166 IonicContact OE2-CZ 2.78Å; E82-R166 VanDerWaalsContact OE2-CZ 3.28Å; E82-R166 IonicContact OE2-NH1 2.71Å; E82-R166 PolarHBondContact OE2-NH1 3.16Å; E82-R166 IonicContact OE2-NH2 2.76Å; E82-R166 PolarHBondContact OE2-NH2 3.36Å; D162-R166 WeakPolarHBondContact O-CG 3.41Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD1-CZ 2.78Å; D162-R166 IonicContact OD1-NE 3.35Å; D162-R166 PolarHBondContact OD1-NE 3.28Å; D162-R166 IonicContact OD1-NH2 2.65Å; D162-R166 IonicContact OD2-CZ 3.28Å; D162-R166 IonicContact OD2-NE 3.9Å; D162-R166 IonicContact OD2-NH2 3.02Å; D162-R166 PolarHBondContact OD2-NH2 3.39Å; S163-R166 PolarHBondContact O-N 3.37Å; Y164-R166 PolarHBondContact O-N 2.91Å; R166-L168 PolarHBondContact O-N 2.74Å; R166-R169 CarbonylContact O-C 3.42Å; R166-R169 PolarHBondContact O-N 3.3Å; R166-R169 VanDerWaalsContact O-N 3.11Å; R166-S170 PolarHBondContact O-N 3.09Å
167	F	96.8	Very high	94	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.2	-48.3	173	167.5	-104	0	0	0	112.1	W58 L65 T74 F75 F78 S163 Y164 R169 S170 Y173	W58-F167 HydrophobicContact CE3-CZ 4.28Å; L65-F167 HydrophobicContact CD1-CE1 3.67Å; L65-F167 HydrophobicContact CD1-CZ 4.02Å; L65-F167 HydrophobicContact CD2-CD1 3.79Å; L65-F167 HydrophobicContact CD2-CE1 3.7Å; L65-F167 HydrophobicContact CG-CE1 4.38Å; T74-F167 HydrophobicContact CG2-CE2 3.8Å; T74-F167 HydrophobicContact CG2-CZ 4.1Å; F75-F167 HydrophobicContact CD2-CB 3.77Å; F75-F167 HydrophobicContact CD2-CD1 4.03Å; F75-F167 AromaticContact CD2-CD2 3.89Å; F75-F167 HydrophobicContact CD2-CD2 3.89Å; F75-F167 AromaticContact CD2-CG 3.6Å; F75-F167 HydrophobicContact CD2-CG 3.6Å; F75-F167 HydrophobicContact CE2-CB 3.79Å; F75-F167 HydrophobicContact CE2-CG 4.13Å; F78-F167 HydrophobicContact CB-CD2 3.75Å; F78-F167 HydrophobicContact CB-CE2 4.37Å; F78-F167 HydrophobicContact CD1-CB 3.68Å; F78-F167 HydrophobicContact CD1-CD2 4.08Å; F78-F167 HydrophobicContact CD1-CG 4.35Å; F78-F167 HydrophobicContact CD2-CD2 4.32Å; F78-F167 HydrophobicContact CE1-CB 3.72Å; F78-F167 HydrophobicContact CG-CB 4.12Å; F78-F167 AromaticContact CG-CD2 3.78Å; F78-F167 HydrophobicContact CG-CD2 3.78Å; F78-F167 HydrophobicContact CG-CG 4.45Å; F78-F167 HydrophobicContact CZ-CB 4.19Å; S163-F167 WeakPolarHBondContact O-CB 3.36Å; S163-F167 PolarHBondContact O-N 3.19Å; Y164-F167 HydrophobicContact CD2-CD1 4.44Å; Y164-F167 WeakPolarHBondContact O-CB 3.3Å; Y164-F167 PolarHBondContact O-N 3.47Å; Y164-F167 VanDerWaalsContact O-N 3.16Å; F167-R169 PolarHBondContact O-N 3.32Å; F167-R169 VanDerWaalsContact O-N 3.17Å; F167-S170 VanDerWaalsContact O-CB 3.25Å; F167-S170 WeakPolarHBondContact O-CB 3.43Å; F167-S170 PolarHBondContact O-N 3.39Å; F167-S170 PolarHBondContact O-OG 3.21Å; F167-Y173 AromaticContact CE1-CD2 3.95Å; F167-Y173 HydrophobicContact CE1-CD2 3.95Å; F167-Y173 HydrophobicContact CE1-CG 4.22Å; F167-Y173 AromaticContact CZ-CD2 3.88Å; F167-Y173 HydrophobicContact CZ-CD2 3.88Å; F167-Y173 HydrophobicContact CZ-CG 4.26Å; F167-Y173 WeakPolarHBondContact O-CB 3.27Å
168	L	96	Very high	93.5	Very high	40 Å²	40	53.5 Å²	53.5	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-21	179.5	-64.6	179.9	0	0	0	113.5	Y164 R166 Y173	Y164-L168 HydrophobicContact CD2-CG 4.36Å; Y164-L168 HydrophobicContact CE1-CD1 3.98Å; Y164-L168 HydrophobicContact CE2-CD1 3.99Å; Y164-L168 HydrophobicContact CE2-CD2 4.01Å; Y164-L168 HydrophobicContact CE2-CG 3.99Å; Y164-L168 WeakPolarHBondContact O-CG 3.43Å; Y164-L168 PolarHBondContact O-N 3.18Å; R166-L168 PolarHBondContact O-N 2.74Å; L168-Y173 HydrophobicContact CB-CD1 4.45Å; L168-Y173 HydrophobicContact CD2-CD1 4.03Å; L168-Y173 HydrophobicContact CD2-CE1 3.71Å; L168-Y173 WeakPolarHBondContact O-CD1 3.35Å
169	R	94.5	Very high	92.9	Very high	179 Å²	179	53.4 Å²	53.4	68%	0.675	24%	0.242	S	C	*	.	H	α-helix	trans	-96.4	-7.1	174.9	-69.4	180	-69.7	-174.2	2.4	113.3	P165 R166 F167	P165-R169 PolarHBondContact O-NE 3.03Å; R166-R169 CarbonylContact O-C 3.42Å; R166-R169 PolarHBondContact O-N 3.3Å; R166-R169 VanDerWaalsContact O-N 3.11Å; F167-R169 PolarHBondContact O-N 3.32Å; F167-R169 VanDerWaalsContact O-N 3.17Å
170	S	93.4	Very high	92.3	Very high	16 Å²	16	54 Å²	54	11%	0.112	25%	0.245	C	C	.	.	S	Bend	trans	-70.4	151.9	-176.5	75.1	0	0	0	0	111.8	R166 F167 I172 Y173 R174	R166-S170 PolarHBondContact O-N 3.09Å; F167-S170 VanDerWaalsContact O-CB 3.25Å; F167-S170 WeakPolarHBondContact O-CB 3.43Å; F167-S170 PolarHBondContact O-N 3.39Å; F167-S170 PolarHBondContact O-OG 3.21Å; S170-I172 PolarHBondContact O-N 2.77Å; S170-Y173 PolarHBondContact O-N 3.06Å; S170-Y173 PolarHBondContact OG-N 3.28Å; S170-R174 PolarHBondContact O-N 3.01Å; S170-R174 VanDerWaalsContact O-N 3.12Å
171	D	89.4	Confident	91.6	Very high	50 Å²	50	52 Å²	52	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-32	174.1	-67.7	-32.1	0	0	0	111.2	Y173 R174 T175	D171-Y173 PolarHBondContact O-N 2.99Å; D171-R174 PolarHBondContact O-N 2.95Å; D171-T175 WeakPolarHBondContact O-CB 3.35Å; D171-T175 PolarHBondContact O-N 3.22Å; D171-T175 PolarHBondContact O-OG1 3.29Å
172	I	88	Confident	90.8	Very high	28 Å²	28	45.8 Å²	45.8	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-49.1	178.7	-58.9	175.7	0	0	0	110.9	T74 F78 S170 L176	T74-I172 HydrophobicContact CG2-CG2 3.49Å; T74-I172 VanDerWaalsContact CG2-CG2 3.49Å; F78-I172 HydrophobicContact CB-CD1 4.37Å; F78-I172 HydrophobicContact CD2-CD1 4.46Å; S170-I172 PolarHBondContact O-N 2.77Å; I172-L176 WeakPolarHBondContact O-CB 3.38Å; I172-L176 PolarHBondContact O-N 3.39Å
173	Y	90.1	Very high	89.7	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-73.7	-39.6	-179.7	-177.1	-115.6	0	0	0	112.2	T55 W58 F167 L168 S170 D171 L176 L177	T55-Y173 HydrophobicContact CG2-CD2 4.44Å; T55-Y173 HydrophobicContact CG2-CE2 3.77Å; T55-Y173 PolarHBondContact O-OH 3.46Å; W58-Y173 HydrophobicContact CB-CE2 4.18Å; W58-Y173 HydrophobicContact CD2-CE2 4.37Å; W58-Y173 AromaticContact CE3-CD2 3.94Å; W58-Y173 HydrophobicContact CE3-CD2 3.94Å; W58-Y173 AromaticContact CE3-CE2 3.66Å; W58-Y173 HydrophobicContact CE3-CE2 3.66Å; W58-Y173 HydrophobicContact CZ3-CD2 4.38Å; W58-Y173 HydrophobicContact CZ3-CE2 4.39Å; F167-Y173 AromaticContact CE1-CD2 3.95Å; F167-Y173 HydrophobicContact CE1-CD2 3.95Å; F167-Y173 HydrophobicContact CE1-CG 4.22Å; F167-Y173 AromaticContact CZ-CD2 3.88Å; F167-Y173 HydrophobicContact CZ-CD2 3.88Å; F167-Y173 HydrophobicContact CZ-CG 4.26Å; F167-Y173 WeakPolarHBondContact O-CB 3.27Å; L168-Y173 HydrophobicContact CB-CD1 4.45Å; L168-Y173 HydrophobicContact CD2-CD1 4.03Å; L168-Y173 HydrophobicContact CD2-CE1 3.71Å; L168-Y173 WeakPolarHBondContact O-CD1 3.35Å; S170-Y173 PolarHBondContact O-N 3.06Å; S170-Y173 PolarHBondContact OG-N 3.28Å; D171-Y173 PolarHBondContact O-N 2.99Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 PolarHBondContact O-N 3.18Å; Y173-L177 HydrophobicContact CD1-CD1 4.11Å; Y173-L177 HydrophobicContact CE1-CD1 3.59Å; Y173-L177 HydrophobicContact CE1-CG 4.4Å; Y173-L177 HydrophobicContact CE2-CD1 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.42Å; Y173-L177 PolarHBondContact O-N 3.07Å; Y173-L177 VanDerWaalsContact O-N 3.12Å
174	R	89.8	Confident	88.4	Confident	124 Å²	124	50.8 Å²	50.8	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-49.3	179.2	-76.4	-176.9	56.5	-168.1	-7.5	113.2	S170 D171 L176 L177 E178	S170-R174 PolarHBondContact O-N 3.01Å; S170-R174 VanDerWaalsContact O-N 3.12Å; D171-R174 PolarHBondContact O-N 2.95Å; R174-L176 PolarHBondContact O-N 3.33Å; R174-L177 PolarHBondContact O-N 3.07Å; R174-E178 IonicContact NH2-OE1 3.61Å; R174-E178 WeakPolarHBondContact O-CG 3.46Å; R174-E178 PolarHBondContact O-N 3.17Å
175	T	86.8	Confident	86.7	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.086	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-32.9	178	-62.2	0	0	0	0	111	K29 D171 S179	K29-T175 HydrophobicContact CG-CG2 4.02Å; D171-T175 WeakPolarHBondContact O-CB 3.35Å; D171-T175 PolarHBondContact O-N 3.22Å; D171-T175 PolarHBondContact O-OG1 3.29Å; T175-S179 WeakPolarHBondContact O-CB 3.33Å; T175-S179 PolarHBondContact O-N 3.25Å; T175-S179 PolarHBondContact O-OG 3.3Å
176	L	85.9	Confident	84.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-52.2	173.7	176.3	57	0	0	0	112.2	M32 L50 T55 W58 I172 Y173 R174 E178 S179 L180	M32-L176 HydrophobicContact CE-CB 4.43Å; M32-L176 HydrophobicContact CE-CD1 3.22Å; M32-L176 HydrophobicContact CE-CD2 3.92Å; M32-L176 HydrophobicContact CE-CG 4.02Å; M32-L176 HydrophobicContact SD-CB 4.37Å; M32-L176 HydrophobicContact SD-CD1 4.17Å; M32-L176 HydrophobicContact SD-CD2 4.43Å; L50-L176 HydrophobicContact CD2-CD1 3.46Å; L50-L176 VanDerWaalsContact CD2-CD1 3.46Å; L50-L176 HydrophobicContact CD2-CD2 4.11Å; L50-L176 HydrophobicContact CD2-CG 4.21Å; T55-L176 HydrophobicContact CG2-CD2 3.7Å; T55-L176 HydrophobicContact CG2-CG 3.98Å; W58-L176 HydrophobicContact CH2-CD2 3.72Å; W58-L176 HydrophobicContact CZ3-CD2 3.49Å; W58-L176 VanDerWaalsContact CZ3-CD2 3.49Å; I172-L176 WeakPolarHBondContact O-CB 3.38Å; I172-L176 PolarHBondContact O-N 3.39Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 PolarHBondContact O-N 3.18Å; R174-L176 PolarHBondContact O-N 3.33Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 2.81Å; L176-S179 PolarHBondContact O-N 3.06Å; L176-S179 PolarHBondContact O-OG 3.03Å; L176-L180 HydrophobicContact CD1-CD1 3.87Å; L176-L180 HydrophobicContact CD1-CG 4.11Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 3.25Å; L176-L180 VanDerWaalsContact O-N 3.09Å
177	L	88	Confident	82.3	Confident	41 Å²	41	62.4 Å²	62.4	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176.5	-72.1	173.5	0	0	0	112.4	L52 T55 Q56 Y173 R174 L180 A181	L52-L177 HydrophobicContact CD1-CD2 3.76Å; T55-L177 HydrophobicContact CG2-CD2 3.61Å; T55-L177 HydrophobicContact CG2-CG 4.24Å; Q56-L177 HydrophobicContact CG-CD2 3.98Å; Y173-L177 HydrophobicContact CD1-CD1 4.11Å; Y173-L177 HydrophobicContact CE1-CD1 3.59Å; Y173-L177 HydrophobicContact CE1-CG 4.4Å; Y173-L177 HydrophobicContact CE2-CD1 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.42Å; Y173-L177 PolarHBondContact O-N 3.07Å; Y173-L177 VanDerWaalsContact O-N 3.12Å; R174-L177 PolarHBondContact O-N 3.07Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.47Å
178	E	87.4	Confident	81.5	Confident	109 Å²	109	65.5 Å²	65.5	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-42.3	178.4	-71.7	169.4	-170.6	0	0	111.9	R174 L176 A181 A182	R174-E178 IonicContact NH2-OE1 3.61Å; R174-E178 WeakPolarHBondContact O-CG 3.46Å; R174-E178 PolarHBondContact O-N 3.17Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 2.81Å; E178-A181 PolarHBondContact O-N 3.46Å; E178-A182 PolarHBondContact O-N 3.28Å; E178-A182 VanDerWaalsContact O-N 3.07Å
179	S	84.7	Confident	80.8	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-47	176.8	63.2	0	0	0	0	112.4	T175 L176 A181 A182 D183	T175-S179 WeakPolarHBondContact O-CB 3.33Å; T175-S179 PolarHBondContact O-N 3.25Å; T175-S179 PolarHBondContact O-OG 3.3Å; L176-S179 PolarHBondContact O-N 3.06Å; L176-S179 PolarHBondContact O-OG 3.03Å; S179-A181 VanDerWaalsContact C-N 3.34Å; S179-A181 PolarHBondContact O-N 3.45Å; S179-A182 PolarHBondContact O-N 3.35Å; S179-D183 PolarHBondContact O-N 2.98Å; S179-D183 VanDerWaalsContact O-N 3.07Å
180	L	84.8	Confident	80	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-67.1	-34.2	179.7	-65.8	171.9	0	0	0	112.6	L50 L52 T55 L176 L177 A184	L50-L180 HydrophobicContact CD2-CD1 3.79Å; L50-L180 HydrophobicContact CD2-CD2 4.28Å; L50-L180 HydrophobicContact CD2-CG 4.49Å; L50-L180 HydrophobicContact CG-CD1 4.07Å; L50-L180 WeakPolarHBondContact O-CD2 3.5Å; L52-L180 HydrophobicContact CB-CB 4.02Å; L52-L180 HydrophobicContact CD1-CB 4.01Å; T55-L180 HydrophobicContact CG2-CD1 4.29Å; T55-L180 VanDerWaalsContact OG1-CD1 3.27Å; T55-L180 WeakPolarHBondContact OG1-CD1 3.47Å; L176-L180 HydrophobicContact CD1-CD1 3.87Å; L176-L180 HydrophobicContact CD1-CG 4.11Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 3.25Å; L176-L180 VanDerWaalsContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3.43Å; L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.47Å
181	A	84.3	Confident	79.2	Confident	37 Å²	37	63.2 Å²	63.2	31%	0.306	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-37.9	174.8	0	0	0	0	0	112.4	L52 L177 E178 S179 A184 T185	L52-A181 HydrophobicContact CD1-CB 4.49Å; L52-A181 HydrophobicContact CD2-CB 4.13Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.47Å; E178-A181 PolarHBondContact O-N 3.46Å; S179-A181 VanDerWaalsContact C-N 3.34Å; S179-A181 PolarHBondContact O-N 3.45Å; A181-A184 PolarHBondContact O-N 2.82Å; A181-T185 PolarHBondContact O-N 3.46Å; A181-T185 PolarHBondContact O-OG1 2.85Å
182	A	80	Confident	78.6	Confident	51 Å²	51	64.1 Å²	64.1	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-42.6	175.5	0	0	0	0	0	111.7	E178 S179 A184 T185 T186	E178-A182 PolarHBondContact O-N 3.28Å; E178-A182 VanDerWaalsContact O-N 3.07Å; S179-A182 PolarHBondContact O-N 3.35Å; A182-A184 VanDerWaalsContact C-N 3.34Å; A182-A184 PolarHBondContact O-N 3.25Å; A182-T185 PolarHBondContact O-N 3.07Å; A182-T186 PolarHBondContact O-N 3.41Å; A182-T186 PolarHBondContact O-OG1 3.48Å
183	D	74.8	Confident	78	Confident	106 Å²	106	66.5 Å²	66.5	57%	0.567	43%	0.43	S	S	*	.	H	α-helix	trans	-64.6	-38.4	177.5	-67.8	-17.8	0	0	0	111.5	S179 T185 T186	S179-D183 PolarHBondContact O-N 2.98Å; S179-D183 VanDerWaalsContact O-N 3.07Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 3.26Å; D183-T186 PolarHBondContact O-N 3.35Å
184	A	68.1	Low	77.1	Confident	72 Å²	72	70.5 Å²	70.5	60%	0.595	46%	0.457	S	S	*	.	H	α-helix	trans	-69.1	-20.6	177.2	0	0	0	0	0	114.5	L180 A181 A182	L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.47Å; A181-A184 PolarHBondContact O-N 2.82Å; A182-A184 VanDerWaalsContact C-N 3.34Å; A182-A184 PolarHBondContact O-N 3.25Å
185	T	63	Low	76.1	Confident	121 Å²	121	66.4 Å²	66.4	74%	0.742	46%	0.457	S	S	*	.	H	α-helix	trans	-93.3	-14.7	-179.5	-45.8	0	0	0	0	112.4	A181 A182 D183	A181-T185 PolarHBondContact O-N 3.46Å; A181-T185 PolarHBondContact O-OG1 2.85Å; A182-T185 PolarHBondContact O-N 3.07Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 3.26Å
186	T	57.9	Low	75.3	Confident	126 Å²	126	70.8 Å²	70.8	77%	0.773	49%	0.488	S	S	*	.			trans	-103.2	4	-175.3	-42.5	0	0	0	0	112.5	A182 D183	A182-T186 PolarHBondContact O-N 3.41Å; A182-T186 PolarHBondContact O-OG1 3.48Å; D183-T186 PolarHBondContact O-N 3.35Å
187	G	44.1	Very low	74.3	Confident	134 Å²	134	77.2 Å²	77.2	100%	1.381	53%	0.532	S	S	*	.			trans	-97.4	0	179.5	0	0	0	0	0	114.1

Retrieved 187 of 187 residues in 643.9 ms (Link to these results)

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