A0A5K4F0P5_SCHMA Loading...

Polymorphic mucin variant C-r2/2; Polymorphic mucin variant IC-r2/2

AlphaFold DB , UniProt , Accession A0A5K4F0P5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 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	38.1	Very low	39.7	Very low	198 Å²	198	105.3 Å²	105.3	98%	0.975	54%	0.538	S	S	*	.				0	-47.6	0	-85	-142.4	-84.2	0	0	114.3	Q3 L4 I5	M1-Q3 PolarHBondContact O-N 3.41Å; M1-L4 PolarHBondContact O-N 2.74Å; M1-I5 WeakPolarHBondContact O-CG1 3.34Å; M1-I5 PolarHBondContact O-N 3.42Å; M1-I5 VanDerWaalsContact O-N 3.11Å
2	Q	31	Very low	39.7	Very low	174 Å²	174	103.3 Å²	103.3	81%	0.813	53%	0.527	S	S	*	.	H	α-helix	trans	-59.3	-37.7	-177.6	-79	175.8	-24.7	0	0	115	I5 S6	Q2-I5 PolarHBondContact O-N 3.33Å; Q2-S6 WeakPolarHBondContact O-CB 3.49Å; Q2-S6 PolarHBondContact O-N 3.09Å
3	Q	36.1	Very low	40	Very low	177 Å²	177	106.3 Å²	106.3	83%	0.827	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-39.8	176.8	-72	-177.2	-16.6	0	0	112.6	M1 S6 L7	M1-Q3 PolarHBondContact O-N 3.41Å; Q3-S6 PolarHBondContact O-N 3.35Å; Q3-L7 PolarHBondContact O-N 3.2Å
4	L	34.4	Very low	40.1	Very low	115 Å²	115	108 Å²	108	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-46.7	173.8	-112.7	105	0	0	0	110.8	M1 S6 L7 C8	M1-L4 PolarHBondContact O-N 2.74Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 3.45Å; L4-L7 PolarHBondContact O-N 2.85Å; L4-C8 PolarHBondContact O-N 3.23Å; L4-C8 PolarHBondContact O-SG 3.03Å
5	I	39.7	Very low	40.2	Very low	98 Å²	98	102.9 Å²	102.9	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-38.9	178.9	-64.6	166.7	0	0	0	111.7	M1 Q2 C8 C9	M1-I5 WeakPolarHBondContact O-CG1 3.34Å; M1-I5 PolarHBondContact O-N 3.42Å; M1-I5 VanDerWaalsContact O-N 3.11Å; Q2-I5 PolarHBondContact O-N 3.33Å; I5-C8 PolarHBondContact O-N 2.73Å; I5-C9 WeakPolarHBondContact O-CB 3.01Å; I5-C9 PolarHBondContact O-N 3.37Å; I5-C9 PolarHBondContact O-SG 3.32Å
6	S	42.3	Very low	39.8	Very low	66 Å²	66	101.3 Å²	101.3	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.2	179.7	0	0	0	0	112.2	Q2 Q3 L4 C9 K10	Q2-S6 WeakPolarHBondContact O-CB 3.49Å; Q2-S6 PolarHBondContact O-N 3.09Å; Q3-S6 PolarHBondContact O-N 3.35Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 3.45Å; S6-C9 PolarHBondContact O-N 2.78Å; S6-K10 PolarHBondContact O-N 2.82Å
7	L	44.7	Very low	40	Very low	98 Å²	98	108.4 Å²	108.4	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-44.3	175.9	-164.7	70.6	0	0	0	111.3	Q3 L4 C9 K10 V11	Q3-L7 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 2.85Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 3.08Å; L7-K10 PolarHBondContact O-N 3.12Å; L7-K10 VanDerWaalsContact O-N 3.13Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 2.78Å
8	C	38.8	Very low	40	Very low	22 Å²	22	111.1 Å²	111.1	15%	0.149	54%	0.538	C	S	.	.	H	α-helix	trans	-54.8	-46.9	171.9	-61.9	0	0	0	0	111.1	L4 I5 K10 V11 M12 L38	L4-C8 PolarHBondContact O-N 3.23Å; L4-C8 PolarHBondContact O-SG 3.03Å; I5-C8 PolarHBondContact O-N 2.73Å; C8-K10 PolarHBondContact O-N 3Å; C8-V11 PolarHBondContact O-N 2.9Å; C8-M12 HydrophobicContact CB-CE 4.36Å; C8-M12 VanDerWaalsContact O-CB 3.28Å; C8-M12 WeakPolarHBondContact O-CB 3.28Å; C8-M12 VanDerWaalsContact O-CG 3.27Å; C8-M12 WeakPolarHBondContact O-CG 3.27Å; C8-M12 PolarHBondContact O-N 2.74Å; C8-L38 HydrophobicContact CB-CD1 4.41Å; C8-L38 WeakPolarHBondContact SG-CD1 3.48Å
9	C	39.4	Very low	39.6	Very low	41 Å²	41	111.1 Å²	111.1	28%	0.277	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-38	177.6	-74.6	0	0	0	0	112.6	I5 S6 L7 K13	I5-C9 WeakPolarHBondContact O-CB 3.01Å; I5-C9 PolarHBondContact O-N 3.37Å; I5-C9 PolarHBondContact O-SG 3.32Å; S6-C9 PolarHBondContact O-N 2.78Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 3.08Å; C9-K13 WeakPolarHBondContact O-CB 3.44Å; C9-K13 WeakPolarHBondContact O-CD 3.34Å; C9-K13 WeakPolarHBondContact O-CG 3.11Å; C9-K13 PolarHBondContact O-N 3.38Å
10	K	48.3	Very low	39.5	Very low	132 Å²	132	116.6 Å²	116.6	57%	0.574	56%	0.562	S	S	*	*	H	α-helix	trans	-67	-47.5	176.3	-85.8	-179.4	176.5	179.1	0	111.8	S6 L7 C8 K13 M14	S6-K10 PolarHBondContact O-N 2.82Å; L7-K10 PolarHBondContact O-N 3.12Å; L7-K10 VanDerWaalsContact O-N 3.13Å; C8-K10 PolarHBondContact O-N 3Å; K10-K13 PolarHBondContact O-N 3.27Å; K10-M14 WeakPolarHBondContact O-CB 3.09Å; K10-M14 WeakPolarHBondContact O-CG 3.32Å; K10-M14 PolarHBondContact O-N 3.01Å
11	V	44	Very low	39.1	Very low	37 Å²	37	121.9 Å²	121.9	22%	0.224	58%	0.576	C	S	.	*	H	α-helix	trans	-66.3	-41.9	179.8	176.2	0	0	0	0	111.1	L7 C8 M14 N15 L38	L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 2.78Å; C8-V11 PolarHBondContact O-N 2.9Å; V11-M14 PolarHBondContact O-N 3.07Å; V11-N15 WeakPolarHBondContact O-CB 3.49Å; V11-N15 PolarHBondContact O-N 2.76Å; V11-L38 HydrophobicContact CB-CD2 4.28Å; V11-L38 HydrophobicContact CG1-CD2 4.32Å; V11-L38 HydrophobicContact CG2-CD2 4.33Å
12	M	39.3	Very low	38.7	Very low	82 Å²	82	119.4 Å²	119.4	40%	0.404	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-40.4	173.6	-73	-165.7	-69.6	0	0	112.2	C8 M14 N15 M16	C8-M12 HydrophobicContact CB-CE 4.36Å; C8-M12 VanDerWaalsContact O-CB 3.28Å; C8-M12 WeakPolarHBondContact O-CB 3.28Å; C8-M12 VanDerWaalsContact O-CG 3.27Å; C8-M12 WeakPolarHBondContact O-CG 3.27Å; C8-M12 PolarHBondContact O-N 2.74Å; M12-M14 VanDerWaalsContact C-N 3.33Å; M12-M14 PolarHBondContact O-N 3.41Å; M12-N15 PolarHBondContact O-N 3.05Å; M12-M16 PolarHBondContact O-N 2.95Å
13	K	44.2	Very low	38.9	Very low	142 Å²	142	118.2 Å²	118.2	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-64	-34.7	174.4	-80.4	171.9	-176.6	177.1	0	112.8	C9 K10	C9-K13 WeakPolarHBondContact O-CB 3.44Å; C9-K13 WeakPolarHBondContact O-CD 3.34Å; C9-K13 WeakPolarHBondContact O-CG 3.11Å; C9-K13 PolarHBondContact O-N 3.38Å; K10-K13 PolarHBondContact O-N 3.27Å
14	M	41	Very low	38.8	Very low	130 Å²	130	116.7 Å²	116.7	64%	0.64	55%	0.551	S	S	*	*	H	α-helix	trans	-76.5	-36.3	179.1	-77.4	169.3	40	0	0	112.7	K10 V11 M12	K10-M14 WeakPolarHBondContact O-CB 3.09Å; K10-M14 WeakPolarHBondContact O-CG 3.32Å; K10-M14 PolarHBondContact O-N 3.01Å; V11-M14 PolarHBondContact O-N 3.07Å; M12-M14 VanDerWaalsContact C-N 3.33Å; M12-M14 PolarHBondContact O-N 3.41Å
15	N	41.1	Very low	38.6	Very low	31 Å²	31	120.2 Å²	120.2	17%	0.166	57%	0.566	C	S	.	*	H	α-helix	trans	-111.1	-7.7	-167.7	-79	-41.6	0	0	0	115.7	V11 M12 K108 Q112	V11-N15 WeakPolarHBondContact O-CB 3.49Å; V11-N15 PolarHBondContact O-N 2.76Å; M12-N15 PolarHBondContact O-N 3.05Å; N15-K108 PolarHBondContact O-NZ 3.42Å; N15-K108 WeakPolarHBondContact OD1-CE 2.93Å; N15-Q112 PolarHBondContact OD1-NE2 3.43Å
16	M	34.9	Very low	38.7	Very low	78 Å²	78	119.5 Å²	119.5	38%	0.384	56%	0.563	S	S	.	*			trans	-135.3	118.2	179.4	-66.4	-179.6	55.4	0	0	111.1	M12 R18	M12-M16 PolarHBondContact O-N 2.95Å; M16-R18 HydrophobicContact CB-CB 4.49Å; M16-R18 HydrophobicContact CE-CB 4.34Å; M16-R18 HydrophobicContact CE-CG 3.6Å; M16-R18 VanDerWaalsContact CE-CZ 3.5Å; M16-R18 PolarHBondContact O-N 3.48Å
17	K	42.9	Very low	39.1	Very low	221 Å²	221	119.8 Å²	119.8	96%	0.961	56%	0.562	S	S	*	*			trans	-69.8	49.7	160.8	-74.9	-174.3	176	-179.6	0	110.1
18	R	40.6	Very low	39.2	Very low	157 Å²	157	119.1 Å²	119.1	59%	0.592	57%	0.571	S	S	*	*			trans	-90.2	125	168.6	-80.6	-161.9	-167	169.7	10.6	108.5	M16 D101	M16-R18 HydrophobicContact CB-CB 4.49Å; M16-R18 HydrophobicContact CE-CB 4.34Å; M16-R18 HydrophobicContact CE-CG 3.6Å; M16-R18 VanDerWaalsContact CE-CZ 3.5Å; M16-R18 PolarHBondContact O-N 3.48Å; R18-D101 IonicContact NH2-OD1 2.87Å; R18-D101 PolarHBondContact NH2-OD1 2.9Å; R18-D101 IonicContact NH2-OD2 3.06Å; R18-D101 PolarHBondContact NH2-OD2 2.87Å; R18-D101 VanDerWaalsContact NH2-OD2 3.08Å
19	P	31.2	Very low	39.6	Very low	111 Å²	111	119.2 Å²	119.2	72%	0.721	58%	0.575	S	S	*	*			trans	-62.6	143.2	-179	23.7	-30.9	0	0	0	111.1	R21	P19-R21 PolarHBondContact O-N 3.25Å
20	R	38.5	Very low	40	Very low	221 Å²	221	120.9 Å²	120.9	83%	0.834	58%	0.579	S	S	*	*	S	Bend	trans	-56.8	5.4	-176.9	-77.1	-173.5	-177.6	-168	4	116.6
21	R	29.6	Very low	40	Very low	229 Å²	229	117.3 Å²	117.3	86%	0.864	57%	0.569	S	S	*	*	S	Bend	trans	-102.7	117.8	-171.9	-65.2	-176.8	-177.4	178	0.5	108.6	P19	P19-R21 PolarHBondContact O-N 3.25Å
22	E	30.5	Very low	40.4	Very low	146 Å²	146	118.9 Å²	118.9	68%	0.682	58%	0.578	S	S	*	*			trans	87.5	69.3	179.6	-51.7	-168.9	-175.4	0	0	117.3	K24	E22-K24 PolarHBondContact O-N 3.31Å; E22-K24 VanDerWaalsContact O-N 3.12Å; E22-K24 IonicContact OE1-NZ 3.82Å; E22-K24 WeakPolarHBondContact OE2-CE 3.42Å; E22-K24 IonicContact OE2-NZ 2.74Å; E22-K24 PolarHBondContact OE2-NZ 2.87Å
23	I	35	Very low	41	Very low	149 Å²	149	115.8 Å²	115.8	76%	0.764	56%	0.563	S	S	*	*			trans	-78.3	78.3	149	-56	175.6	0	0	0	106.5
24	K	33.7	Very low	41.4	Very low	145 Å²	145	111 Å²	111	63%	0.63	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-68.6	149.3	163.1	-80.8	170.8	174.7	151.6	0	108.2	E22 L26	E22-K24 PolarHBondContact O-N 3.31Å; E22-K24 VanDerWaalsContact O-N 3.12Å; E22-K24 IonicContact OE1-NZ 3.82Å; E22-K24 WeakPolarHBondContact OE2-CE 3.42Å; E22-K24 IonicContact OE2-NZ 2.74Å; E22-K24 PolarHBondContact OE2-NZ 2.87Å; K24-L26 PolarHBondContact O-N 3.1Å
25	M	31.3	Very low	42.1	Very low	188 Å²	188	108.4 Å²	108.4	93%	0.926	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-49.8	118	177.8	-75.3	-165.3	-63.7	0	0	109.8	T27	M25-T27 PolarHBondContact O-N 3.39Å
26	L	41.8	Very low	42.9	Very low	84 Å²	84	107.6 Å²	107.6	44%	0.44	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-62.3	128.8	177.1	-67.8	158.1	0	0	0	108.2	K24 E30 I34	K24-L26 PolarHBondContact O-N 3.1Å; L26-E30 WeakPolarHBondContact CA-OE2 3.28Å; L26-E30 HydrophobicContact CB-CB 3.96Å; L26-E30 HydrophobicContact CD2-CB 3.69Å; L26-E30 HydrophobicContact CD2-CG 4.4Å; L26-E30 HydrophobicContact CG-CB 4.43Å; L26-I34 HydrophobicContact CD1-CD1 3.52Å; L26-I34 HydrophobicContact CD2-CD1 3.71Å; L26-I34 HydrophobicContact CG-CD1 4.26Å
27	T	51.2	Low	43.9	Very low	72 Å²	72	106.1 Å²	106.1	44%	0.442	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-56.3	154	168	57.4	0	0	0	0	109.8	M25 G29 E30 T31 R98	M25-T27 PolarHBondContact O-N 3.39Å; T27-G29 PolarHBondContact O-N 3.46Å; T27-E30 WeakPolarHBondContact CB-OE2 3.38Å; T27-E30 PolarHBondContact N-OE2 2.84Å; T27-E30 PolarHBondContact O-N 2.92Å; T27-E30 VanDerWaalsContact OG1-CD 3.22Å; T27-E30 VanDerWaalsContact OG1-CG 3.27Å; T27-E30 WeakPolarHBondContact OG1-CG 3.18Å; T27-E30 PolarHBondContact OG1-N 3.38Å; T27-E30 PolarHBondContact OG1-OE2 3.37Å; T27-T31 PolarHBondContact O-N 3.16Å; T27-T31 PolarHBondContact O-OG1 2.95Å; T27-R98 PolarHBondContact OG1-NH2 2.81Å
28	A	46.7	Very low	44.5	Very low	84 Å²	84	97 Å²	97	69%	0.694	48%	0.482	S	S	*	.	H	α-helix	trans	-50.9	-38.4	179.2	0	0	0	0	0	111.9	T31 V32	A28-T31 WeakPolarHBondContact O-CB 3.34Å; A28-T31 PolarHBondContact O-N 3.07Å; A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 2.96Å
29	G	45.9	Very low	45.4	Very low	24 Å²	24	93.1 Å²	93.1	25%	0.247	47%	0.472	C	S	.	.	H	α-helix	trans	-68.4	-35.2	175.5	0	0	0	0	0	115	T27 T31 V32 I33	T27-G29 PolarHBondContact O-N 3.46Å; G29-T31 VanDerWaalsContact C-N 3.33Å; G29-V32 PolarHBondContact O-N 3.49Å; G29-I33 WeakPolarHBondContact O-CG1 3.46Å; G29-I33 PolarHBondContact O-N 2.88Å; G29-I33 VanDerWaalsContact O-N 3.12Å
30	E	48.6	Very low	46.5	Very low	75 Å²	75	88.8 Å²	88.8	35%	0.35	44%	0.443	S	S	.	.	H	α-helix	trans	-69.2	-35.6	173.7	-74.4	163	149.4	0	0	111.5	L26 T27 I33 I34	L26-E30 WeakPolarHBondContact CA-OE2 3.28Å; L26-E30 HydrophobicContact CB-CB 3.96Å; L26-E30 HydrophobicContact CD2-CB 3.69Å; L26-E30 HydrophobicContact CD2-CG 4.4Å; L26-E30 HydrophobicContact CG-CB 4.43Å; T27-E30 WeakPolarHBondContact CB-OE2 3.38Å; T27-E30 PolarHBondContact N-OE2 2.84Å; T27-E30 PolarHBondContact O-N 2.92Å; T27-E30 VanDerWaalsContact OG1-CD 3.22Å; T27-E30 VanDerWaalsContact OG1-CG 3.27Å; T27-E30 WeakPolarHBondContact OG1-CG 3.18Å; T27-E30 PolarHBondContact OG1-N 3.38Å; T27-E30 PolarHBondContact OG1-OE2 3.37Å; E30-I33 PolarHBondContact O-N 3.12Å; E30-I34 WeakPolarHBondContact O-CG1 3.27Å; E30-I34 PolarHBondContact O-N 3.3Å
31	T	48.3	Very low	47.2	Very low	58 Å²	58	79.3 Å²	79.3	36%	0.356	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-44.8	174.4	-52.9	0	0	0	0	111.1	T27 A28 G29 I33 I34 I35	T27-T31 PolarHBondContact O-N 3.16Å; T27-T31 PolarHBondContact O-OG1 2.95Å; A28-T31 WeakPolarHBondContact O-CB 3.34Å; A28-T31 PolarHBondContact O-N 3.07Å; G29-T31 VanDerWaalsContact C-N 3.33Å; T31-I33 VanDerWaalsContact C-N 3.34Å; T31-I33 PolarHBondContact O-N 2.83Å; T31-I34 PolarHBondContact O-N 3.45Å; T31-I35 HydrophobicContact CG2-CD1 3.91Å; T31-I35 WeakPolarHBondContact O-CB 3.47Å; T31-I35 VanDerWaalsContact O-CG1 3.22Å; T31-I35 WeakPolarHBondContact O-CG1 3.13Å; T31-I35 PolarHBondContact O-N 3.25Å
32	V	52.1	Low	48.4	Very low	69 Å²	69	72.6 Å²	72.6	42%	0.418	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.9	170.3	0	0	0	0	111.2	A28 G29 I35 I36 L65	A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 2.96Å; G29-V32 PolarHBondContact O-N 3.49Å; V32-I35 PolarHBondContact O-N 3.28Å; V32-I36 HydrophobicContact CG1-CD1 3.76Å; V32-I36 HydrophobicContact CG1-CG1 4.38Å; V32-I36 VanDerWaalsContact O-CG1 3.28Å; V32-I36 WeakPolarHBondContact O-CG1 3.37Å; V32-I36 PolarHBondContact O-N 2.71Å; V32-L65 HydrophobicContact CG1-CD2 4.29Å
33	I	51.5	Low	49.5	Very low	18 Å²	18	68.2 Å²	68.2	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-67.7	-42.3	180	-70.9	167.1	0	0	0	111.7	G29 E30 T31 I35 I36 I37 R98	G29-I33 WeakPolarHBondContact O-CG1 3.46Å; G29-I33 PolarHBondContact O-N 2.88Å; G29-I33 VanDerWaalsContact O-N 3.12Å; E30-I33 PolarHBondContact O-N 3.12Å; T31-I33 VanDerWaalsContact C-N 3.34Å; T31-I33 PolarHBondContact O-N 2.83Å; I33-I35 VanDerWaalsContact C-N 3.3Å; I33-I35 PolarHBondContact O-N 3.08Å; I33-I36 PolarHBondContact O-N 3.23Å; I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.26Å; I33-I37 WeakPolarHBondContact O-CB 3.37Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 2.65Å; I33-R98 HydrophobicContact CD1-CB 3.59Å; I33-R98 HydrophobicContact CD1-CG 3.33Å
34	I	52.9	Low	50.2	Low	41 Å²	41	62 Å²	62	21%	0.21	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-41.8	174.6	-72.5	166.5	0	0	0	110	L26 E30 T31 I37 L38	L26-I34 HydrophobicContact CD1-CD1 3.52Å; L26-I34 HydrophobicContact CD2-CD1 3.71Å; L26-I34 HydrophobicContact CG-CD1 4.26Å; E30-I34 WeakPolarHBondContact O-CG1 3.27Å; E30-I34 PolarHBondContact O-N 3.3Å; T31-I34 PolarHBondContact O-N 3.45Å; I34-I37 PolarHBondContact O-N 2.96Å; I34-L38 HydrophobicContact CG2-CD1 3.49Å; I34-L38 VanDerWaalsContact CG2-CD1 3.49Å; I34-L38 HydrophobicContact CG2-CG 4.15Å; I34-L38 VanDerWaalsContact O-CB 3.25Å; I34-L38 WeakPolarHBondContact O-CB 3.43Å; I34-L38 WeakPolarHBondContact O-CD1 3.44Å; I34-L38 WeakPolarHBondContact O-CG 3.37Å; I34-L38 PolarHBondContact O-N 2.9Å
35	I	55.9	Low	50.9	Low	76 Å²	76	62.3 Å²	62.3	39%	0.39	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-45.6	174.1	-70.9	167.3	0	0	0	110.7	T31 V32 I33 L38 I39	T31-I35 HydrophobicContact CG2-CD1 3.91Å; T31-I35 WeakPolarHBondContact O-CB 3.47Å; T31-I35 VanDerWaalsContact O-CG1 3.22Å; T31-I35 WeakPolarHBondContact O-CG1 3.13Å; T31-I35 PolarHBondContact O-N 3.25Å; V32-I35 PolarHBondContact O-N 3.28Å; I33-I35 VanDerWaalsContact C-N 3.3Å; I33-I35 PolarHBondContact O-N 3.08Å; I35-L38 PolarHBondContact O-N 3.12Å; I35-I39 HydrophobicContact CG2-CD1 3.46Å; I35-I39 VanDerWaalsContact CG2-CD1 3.46Å; I35-I39 HydrophobicContact CG2-CG1 4.11Å; I35-I39 VanDerWaalsContact O-CB 3.29Å; I35-I39 WeakPolarHBondContact O-CB 3.36Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.36Å
36	I	57.1	Low	51.7	Low	14 Å²	14	58.3 Å²	58.3	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-49.3	176.5	-70.2	166.7	0	0	0	110.3	V32 I33 L38 I39 T40 Q61 L65 Y102	V32-I36 HydrophobicContact CG1-CD1 3.76Å; V32-I36 HydrophobicContact CG1-CG1 4.38Å; V32-I36 VanDerWaalsContact O-CG1 3.28Å; V32-I36 WeakPolarHBondContact O-CG1 3.37Å; V32-I36 PolarHBondContact O-N 2.71Å; I33-I36 PolarHBondContact O-N 3.23Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 3.47Å; I36-I39 PolarHBondContact O-N 3.08Å; I36-T40 VanDerWaalsContact O-CB 3.27Å; I36-T40 WeakPolarHBondContact O-CB 3.26Å; I36-T40 PolarHBondContact O-N 3.05Å; I36-T40 PolarHBondContact O-OG1 3.08Å; I36-Q61 HydrophobicContact CG2-CB 3.85Å; I36-Q61 HydrophobicContact CG2-CG 4.07Å; I36-L65 HydrophobicContact CD1-CD1 4.14Å; I36-L65 HydrophobicContact CD1-CD2 4.09Å; I36-L65 HydrophobicContact CD1-CG 4.18Å; I36-Y102 HydrophobicContact CG2-CE2 4.26Å
37	I	57.3	Low	52	Low	47 Å²	47	55.7 Å²	55.7	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-41.4	178	-69.1	168.5	0	0	0	110.6	I33 I34 A41 A105	I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.26Å; I33-I37 WeakPolarHBondContact O-CB 3.37Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 2.65Å; I34-I37 PolarHBondContact O-N 2.96Å; I37-A41 WeakPolarHBondContact O-CB 3.43Å; I37-A41 PolarHBondContact O-N 3.38Å; I37-A105 HydrophobicContact CD1-CB 4.42Å
38	L	54.7	Low	52.3	Low	30 Å²	30	57.6 Å²	57.6	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-72.1	-39.6	178.4	-71.2	165.9	0	0	0	112.5	C8 V11 I34 I35 I36 T40 A41 N42	C8-L38 HydrophobicContact CB-CD1 4.41Å; C8-L38 WeakPolarHBondContact SG-CD1 3.48Å; V11-L38 HydrophobicContact CB-CD2 4.28Å; V11-L38 HydrophobicContact CG1-CD2 4.32Å; V11-L38 HydrophobicContact CG2-CD2 4.33Å; I34-L38 HydrophobicContact CG2-CD1 3.49Å; I34-L38 VanDerWaalsContact CG2-CD1 3.49Å; I34-L38 HydrophobicContact CG2-CG 4.15Å; I34-L38 VanDerWaalsContact O-CB 3.25Å; I34-L38 WeakPolarHBondContact O-CB 3.43Å; I34-L38 WeakPolarHBondContact O-CD1 3.44Å; I34-L38 WeakPolarHBondContact O-CG 3.37Å; I34-L38 PolarHBondContact O-N 2.9Å; I35-L38 PolarHBondContact O-N 3.12Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 3.47Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-A41 PolarHBondContact O-N 3.35Å; L38-N42 WeakPolarHBondContact O-CB 3.31Å; L38-N42 PolarHBondContact O-N 3.03Å
39	I	59.9	Low	52.9	Low	74 Å²	74	57.4 Å²	57.4	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-46.4	173.6	-73.4	170.6	0	0	0	108.6	I35 I36 N42 K43	I35-I39 HydrophobicContact CG2-CD1 3.46Å; I35-I39 VanDerWaalsContact CG2-CD1 3.46Å; I35-I39 HydrophobicContact CG2-CG1 4.11Å; I35-I39 VanDerWaalsContact O-CB 3.29Å; I35-I39 WeakPolarHBondContact O-CB 3.36Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.36Å; I36-I39 PolarHBondContact O-N 3.08Å; I39-N42 PolarHBondContact O-N 3.27Å; I39-K43 HydrophobicContact CG2-CD 3.72Å; I39-K43 HydrophobicContact CG2-CG 4.29Å; I39-K43 WeakPolarHBondContact O-CB 3.16Å; I39-K43 WeakPolarHBondContact O-CG 3.48Å; I39-K43 PolarHBondContact O-N 3.31Å
40	T	55	Low	53.9	Low	20 Å²	20	56.4 Å²	56.4	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-49.3	176.5	-61.5	0	0	0	0	110.2	I36 L38 K43 F44	I36-T40 VanDerWaalsContact O-CB 3.27Å; I36-T40 WeakPolarHBondContact O-CB 3.26Å; I36-T40 PolarHBondContact O-N 3.05Å; I36-T40 PolarHBondContact O-OG1 3.08Å; L38-T40 VanDerWaalsContact C-N 3.33Å; T40-K43 CarbonylContact O-C 3.6Å; T40-K43 PolarHBondContact O-N 3.04Å; T40-F44 WeakPolarHBondContact O-CB 3.5Å; T40-F44 PolarHBondContact O-N 3.06Å
41	A	53.2	Low	54.9	Low	22 Å²	22	53.4 Å²	53.4	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-39.7	178.4	0	0	0	0	0	113.3	I37 L38 F44 E45	I37-A41 WeakPolarHBondContact O-CB 3.43Å; I37-A41 PolarHBondContact O-N 3.38Å; L38-A41 PolarHBondContact O-N 3.35Å; A41-F44 WeakPolarHBondContact O-CA 3.36Å; A41-F44 WeakPolarHBondContact O-CB 3.44Å; A41-F44 PolarHBondContact O-N 3.15Å; A41-F44 VanDerWaalsContact O-N 3.17Å; A41-E45 PolarHBondContact O-N 2.89Å
42	N	54.3	Low	56	Low	89 Å²	89	52.3 Å²	52.3	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-69.5	-40.9	176.4	-171	38.8	0	0	0	111	L38 I39 F44 E45 T46	L38-N42 WeakPolarHBondContact O-CB 3.31Å; L38-N42 PolarHBondContact O-N 3.03Å; I39-N42 PolarHBondContact O-N 3.27Å; N42-F44 PolarHBondContact O-N 3.48Å; N42-E45 PolarHBondContact O-N 3.08Å; N42-T46 WeakPolarHBondContact O-CB 3.3Å; N42-T46 WeakPolarHBondContact O-CG2 3.4Å; N42-T46 PolarHBondContact O-N 3.12Å; N42-T46 PolarHBondContact O-OG1 3.47Å
43	K	53.2	Low	56.9	Low	53 Å²	53	52.9 Å²	52.9	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-30	170.4	-74.9	172.9	172.6	-175.8	0	111.4	I39 T40 A47 E57	I39-K43 HydrophobicContact CG2-CD 3.72Å; I39-K43 HydrophobicContact CG2-CG 4.29Å; I39-K43 WeakPolarHBondContact O-CB 3.16Å; I39-K43 WeakPolarHBondContact O-CG 3.48Å; I39-K43 PolarHBondContact O-N 3.31Å; T40-K43 CarbonylContact O-C 3.6Å; T40-K43 PolarHBondContact O-N 3.04Å; K43-A47 WeakPolarHBondContact O-CB 3.46Å; K43-A47 PolarHBondContact O-N 3.47Å; K43-E57 IonicContact NZ-OE1 2.86Å; K43-E57 PolarHBondContact NZ-OE1 2.94Å; K43-E57 IonicContact NZ-OE2 3.41Å; K43-E57 PolarHBondContact NZ-OE2 3.46Å
44	F	49.8	Very low	57.6	Low	20 Å²	20	52.5 Å²	52.5	9%	0.088	29%	0.286	C	S	.	.	H	α-helix	trans	-71.1	-37.3	179	-156.4	-105.5	0	0	0	113	T40 A41 N42 L54 S109 K113	T40-F44 WeakPolarHBondContact O-CB 3.5Å; T40-F44 PolarHBondContact O-N 3.06Å; A41-F44 WeakPolarHBondContact O-CA 3.36Å; A41-F44 WeakPolarHBondContact O-CB 3.44Å; A41-F44 PolarHBondContact O-N 3.15Å; A41-F44 VanDerWaalsContact O-N 3.17Å; N42-F44 PolarHBondContact O-N 3.48Å; F44-L54 HydrophobicContact CD2-CD1 3.7Å; F44-L54 HydrophobicContact CD2-CD2 3.79Å; F44-L54 HydrophobicContact CD2-CG 4.3Å; F44-L54 HydrophobicContact CE2-CD1 3.61Å; F44-L54 HydrophobicContact CE2-CD2 4.45Å; F44-L54 HydrophobicContact CE2-CG 4.5Å; F44-S109 WeakPolarHBondContact CE1-O 3.43Å; F44-S109 WeakPolarHBondContact CZ-O 3.45Å; F44-K113 HydrophobicContact CD1-CB 4.39Å; F44-K113 HydrophobicContact CD1-CD 4.32Å; F44-K113 HydrophobicContact CE1-CB 3.36Å; F44-K113 HydrophobicContact CE1-CD 4.05Å; F44-K113 HydrophobicContact CE1-CG 4.13Å; F44-K113 HydrophobicContact CE2-CB 4.19Å; F44-K113 HydrophobicContact CZ-CB 3.2Å; F44-K113 HydrophobicContact CZ-CD 4.32Å; F44-K113 HydrophobicContact CZ-CG 3.95Å; F44-K113 PolarHBondContact O-NZ 2.72Å
45	E	49.1	Very low	58.5	Low	150 Å²	150	50.8 Å²	50.8	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-78.7	-40.4	175.6	-76.7	-174.8	168	0	0	112.6	A41 N42	A41-E45 PolarHBondContact O-N 2.89Å; N42-E45 PolarHBondContact O-N 3.08Å
46	T	46.7	Very low	59.3	Low	104 Å²	104	47.8 Å²	47.8	64%	0.638	27%	0.265	S	S	*	.	H	α-helix	trans	-89	-14.7	-167.2	53.8	0	0	0	0	115.4	N42	N42-T46 WeakPolarHBondContact O-CB 3.3Å; N42-T46 WeakPolarHBondContact O-CG2 3.4Å; N42-T46 PolarHBondContact O-N 3.12Å; N42-T46 PolarHBondContact O-OG1 3.47Å
47	A	49.1	Very low	59.9	Low	29 Å²	29	49.1 Å²	49.1	24%	0.24	27%	0.271	C	S	.	.			trans	-120	137.9	-173.1	0	0	0	0	0	113	K43 R49	K43-A47 WeakPolarHBondContact O-CB 3.46Å; K43-A47 PolarHBondContact O-N 3.47Å; A47-R49 HydrophobicContact CB-CB 4.11Å; A47-R49 HydrophobicContact CB-CG 3.54Å; A47-R49 PolarHBondContact O-N 2.97Å
48	S	56.2	Low	60.4	Low	112 Å²	112	47 Å²	47	78%	0.783	26%	0.261	S	S	*	.			trans	-63.6	32.3	160.6	-58.8	0	0	0	0	112.5
49	R	60.7	Low	61.2	Low	80 Å²	80	46 Å²	46	30%	0.302	26%	0.255	S	S	.	.			trans	-66.4	137.8	-179.9	-83	172.9	-171.5	-142	-0.7	109.4	A47 D53 L54 E57	A47-R49 HydrophobicContact CB-CB 4.11Å; A47-R49 HydrophobicContact CB-CG 3.54Å; A47-R49 PolarHBondContact O-N 2.97Å; R49-D53 HydrophobicContact CB-CB 4.2Å; R49-D53 HydrophobicContact CG-CB 4.29Å; R49-L54 HydrophobicContact CB-CD2 4.1Å; R49-L54 HydrophobicContact CB-CG 4.07Å; R49-E57 IonicContact NH1-OE2 2.82Å; R49-E57 PolarHBondContact NH1-OE2 2.93Å
50	S	67.2	Low	61.8	Low	4 Å²	4	48 Å²	48	3%	0.028	26%	0.261	C	S	.	.			trans	-69.4	160.7	175.3	74.1	0	0	0	0	110.8	V52 D53 L54 W186 S187	S50-V52 PolarHBondContact O-N 2.6Å; S50-D53 WeakPolarHBondContact CB-OD2 3.37Å; S50-D53 PolarHBondContact N-OD2 3.37Å; S50-D53 PolarHBondContact O-N 3.46Å; S50-D53 PolarHBondContact OG-N 3.42Å; S50-D53 PolarHBondContact OG-OD1 3.29Å; S50-D53 PolarHBondContact OG-OD2 2.88Å; S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.45Å; S50-L54 PolarHBondContact O-N 3.38Å; S50-L54 VanDerWaalsContact O-N 3.08Å; S50-W186 CarbonylContact C-O 3.33Å; S50-W186 VanDerWaalsContact CB-O 3.24Å; S50-W186 WeakPolarHBondContact CB-O 3.43Å; S50-S187 WeakPolarHBondContact CB-O 3.08Å
51	L	68	Low	62.4	Low	11 Å²	11	48.5 Å²	48.5	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-38.8	171.3	179.5	59.7	0	0	0	110.4	L54 M55 Y132 E135 L139 W186	L51-L54 PolarHBondContact O-N 2.84Å; L51-M55 HydrophobicContact CD1-CG 4.08Å; L51-M55 HydrophobicContact CG-CG 4.19Å; L51-M55 WeakPolarHBondContact O-CB 3.38Å; L51-M55 WeakPolarHBondContact O-CG 3.34Å; L51-M55 PolarHBondContact O-N 2.85Å; L51-Y132 HydrophobicContact CD1-CE2 3.65Å; L51-Y132 WeakPolarHBondContact CD1-OH 2.97Å; L51-Y132 HydrophobicContact CD2-CD2 4.07Å; L51-Y132 HydrophobicContact CD2-CE2 3.57Å; L51-Y132 HydrophobicContact CG-CE2 4.19Å; L51-E135 HydrophobicContact CD2-CB 4.28Å; L51-E135 HydrophobicContact CD2-CG 3.54Å; L51-L139 HydrophobicContact CD2-CD1 4.02Å; L51-L139 HydrophobicContact CG-CD1 3.85Å; L51-W186 HydrophobicContact CB-CB 4.48Å; L51-W186 HydrophobicContact CB-CE3 4.49Å; L51-W186 WeakPolarHBondContact CB-O 3.07Å; L51-W186 HydrophobicContact CD2-CD2 4.13Å; L51-W186 HydrophobicContact CD2-CE3 3.62Å; L51-W186 HydrophobicContact CD2-CZ3 4.09Å; L51-W186 PolarHBondContact N-O 3.06Å
52	V	72.1	Confident	63.2	Low	36 Å²	36	48 Å²	48	22%	0.218	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-50.2	176.5	178.6	0	0	0	0	110.9	S50 L54 M55 G56 L139 Y143 W186	S50-V52 PolarHBondContact O-N 2.6Å; V52-L54 VanDerWaalsContact C-N 3.29Å; V52-L54 PolarHBondContact O-N 3.36Å; V52-M55 PolarHBondContact O-N 2.87Å; V52-G56 PolarHBondContact O-N 3.23Å; V52-L139 HydrophobicContact CG2-CD1 4.32Å; V52-L139 HydrophobicContact CG2-CD2 4.25Å; V52-Y143 WeakPolarHBondContact CG1-OH 3.46Å; V52-Y143 PolarHBondContact O-OH 3.35Å; V52-Y143 VanDerWaalsContact O-OH 3.1Å; V52-W186 PolarHBondContact N-O 3.3Å
53	D	71.1	Confident	64.1	Low	81 Å²	81	44.9 Å²	44.9	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-38.9	178.7	-58.4	-40.7	0	0	0	112.1	R49 S50 E57	R49-D53 HydrophobicContact CB-CB 4.2Å; R49-D53 HydrophobicContact CG-CB 4.29Å; S50-D53 WeakPolarHBondContact CB-OD2 3.37Å; S50-D53 PolarHBondContact N-OD2 3.37Å; S50-D53 PolarHBondContact O-N 3.46Å; S50-D53 PolarHBondContact OG-N 3.42Å; S50-D53 PolarHBondContact OG-OD1 3.29Å; S50-D53 PolarHBondContact OG-OD2 2.88Å; D53-E57 WeakPolarHBondContact O-CB 3.39Å; D53-E57 PolarHBondContact O-N 2.99Å
54	L	66.2	Low	64.9	Low	9 Å²	9	46.4 Å²	46.4	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-43.7	-179.8	-69.4	169.5	0	0	0	111.7	F44 R49 S50 L51 V52 A58	F44-L54 HydrophobicContact CD2-CD1 3.7Å; F44-L54 HydrophobicContact CD2-CD2 3.79Å; F44-L54 HydrophobicContact CD2-CG 4.3Å; F44-L54 HydrophobicContact CE2-CD1 3.61Å; F44-L54 HydrophobicContact CE2-CD2 4.45Å; F44-L54 HydrophobicContact CE2-CG 4.5Å; R49-L54 HydrophobicContact CB-CD2 4.1Å; R49-L54 HydrophobicContact CB-CG 4.07Å; S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.45Å; S50-L54 PolarHBondContact O-N 3.38Å; S50-L54 VanDerWaalsContact O-N 3.08Å; L51-L54 PolarHBondContact O-N 2.84Å; V52-L54 VanDerWaalsContact C-N 3.29Å; V52-L54 PolarHBondContact O-N 3.36Å; L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.09Å
55	M	71.7	Confident	65.8	Low	5 Å²	5	48.1 Å²	48.1	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-41.8	175	-68.7	-84	-7.9	0	0	111.1	L51 V52 A58 E59 Y106 C136 L139 E140 Y143	L51-M55 HydrophobicContact CD1-CG 4.08Å; L51-M55 HydrophobicContact CG-CG 4.19Å; L51-M55 WeakPolarHBondContact O-CB 3.38Å; L51-M55 WeakPolarHBondContact O-CG 3.34Å; L51-M55 PolarHBondContact O-N 2.85Å; V52-M55 PolarHBondContact O-N 2.87Å; M55-A58 WeakPolarHBondContact O-CB 3.37Å; M55-A58 PolarHBondContact O-N 2.62Å; M55-E59 WeakPolarHBondContact O-CB 2.9Å; M55-E59 PolarHBondContact O-N 2.92Å; M55-Y106 WeakPolarHBondContact CA-OH 3.27Å; M55-Y106 HydrophobicContact CE-CE1 3.77Å; M55-Y106 WeakPolarHBondContact CG-OH 3.4Å; M55-Y106 PolarHBondContact N-OH 3.3Å; M55-Y106 HydrophobicContact SD-CE1 3.43Å; M55-Y106 WeakPolarHBondContact SD-CE1 3.15Å; M55-Y106 PolarHBondContact SD-OH 2.77Å; M55-C136 WeakPolarHBondContact CE-O 3.13Å; M55-C136 VanDerWaalsContact SD-CA 3.55Å; M55-C136 HydrophobicContact SD-CB 3.78Å; M55-L139 HydrophobicContact CB-CB 3.81Å; M55-L139 HydrophobicContact CB-CD1 4.25Å; M55-L139 HydrophobicContact CE-CB 4.17Å; M55-L139 HydrophobicContact CG-CB 3.63Å; M55-L139 HydrophobicContact CG-CD1 3.64Å; M55-L139 HydrophobicContact CG-CG 4.26Å; M55-L139 HydrophobicContact SD-CB 3.98Å; M55-E140 HydrophobicContact CE-CB 3.91Å; M55-Y143 HydrophobicContact CB-CD2 4.08Å; M55-Y143 HydrophobicContact CB-CE2 3.89Å
56	G	72.8	Confident	66.7	Low	14 Å²	14	41.2 Å²	41.2	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-45.4	179.1	0	0	0	0	0	113	V52 F60 Y143	V52-G56 PolarHBondContact O-N 3.23Å; G56-F60 VanDerWaalsContact O-CB 3.28Å; G56-F60 WeakPolarHBondContact O-CB 3.19Å; G56-F60 PolarHBondContact O-N 2.75Å; G56-Y143 VanDerWaalsContact CA-CE2 3.48Å; G56-Y143 VanDerWaalsContact N-CE2 3.34Å
57	E	69.5	Low	67.8	Low	42 Å²	42	39.3 Å²	39.3	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-42.6	173.6	176.1	86.1	-133.8	0	0	111.1	K43 R49 D53 E59 F60 Q61	K43-E57 IonicContact NZ-OE1 2.86Å; K43-E57 PolarHBondContact NZ-OE1 2.94Å; K43-E57 IonicContact NZ-OE2 3.41Å; K43-E57 PolarHBondContact NZ-OE2 3.46Å; R49-E57 IonicContact NH1-OE2 2.82Å; R49-E57 PolarHBondContact NH1-OE2 2.93Å; D53-E57 WeakPolarHBondContact O-CB 3.39Å; D53-E57 PolarHBondContact O-N 2.99Å; E57-E59 PolarHBondContact O-N 3.15Å; E57-F60 WeakPolarHBondContact O-CB 3.48Å; E57-F60 PolarHBondContact O-N 2.72Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.34Å; E57-Q61 PolarHBondContact OE1-NE2 3.45Å
58	A	67.3	Low	69	Low	3 Å²	3	43 Å²	43	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-51.8	178.9	0	0	0	0	0	111.5	L54 M55 F60 Q61 R62 Y102 Y106	L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.09Å; M55-A58 WeakPolarHBondContact O-CB 3.37Å; M55-A58 PolarHBondContact O-N 2.62Å; A58-F60 VanDerWaalsContact C-N 3.31Å; A58-F60 PolarHBondContact O-N 3.31Å; A58-Q61 PolarHBondContact O-N 3.19Å; A58-R62 PolarHBondContact O-N 3.28Å; A58-Y102 WeakPolarHBondContact CA-OH 3Å; A58-Y102 WeakPolarHBondContact CB-OH 2.94Å; A58-Y102 PolarHBondContact O-OH 3.42Å; A58-Y106 HydrophobicContact CB-CD2 3.65Å; A58-Y106 HydrophobicContact CB-CE2 3.34Å
59	E	71.5	Confident	69.7	Low	7 Å²	7	39 Å²	39	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-37	178.5	-166.5	55.3	-151.4	0	0	111.4	M55 E57 Q61 R62 I63 Y143	M55-E59 WeakPolarHBondContact O-CB 2.9Å; M55-E59 PolarHBondContact O-N 2.92Å; E57-E59 PolarHBondContact O-N 3.15Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 2.95Å; E59-R62 WeakPolarHBondContact O-CB 3.36Å; E59-R62 PolarHBondContact O-N 2.95Å; E59-R62 IonicContact OE1-CZ 3.38Å; E59-R62 IonicContact OE1-NH1 3.08Å; E59-R62 PolarHBondContact OE1-NH1 3.47Å; E59-R62 WeakPolarHBondContact OE2-CD 3.48Å; E59-R62 IonicContact OE2-NH1 2.65Å; E59-I63 HydrophobicContact CG-CD1 3.9Å; E59-I63 HydrophobicContact CG-CG1 4.42Å; E59-I63 WeakPolarHBondContact O-CB 3.43Å; E59-I63 VanDerWaalsContact O-CD1 3.31Å; E59-I63 WeakPolarHBondContact O-CD1 3.28Å; E59-I63 WeakPolarHBondContact O-CG1 3.27Å; E59-I63 PolarHBondContact O-N 2.89Å; E59-Y143 HydrophobicContact CB-CG 4.44Å
60	F	73.8	Confident	70.3	Confident	118 Å²	118	38.3 Å²	38.3	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-58	-43.4	173	179.5	-96.2	0	0	0	112.7	G56 E57 A58 I63 L64	G56-F60 VanDerWaalsContact O-CB 3.28Å; G56-F60 WeakPolarHBondContact O-CB 3.19Å; G56-F60 PolarHBondContact O-N 2.75Å; E57-F60 WeakPolarHBondContact O-CB 3.48Å; E57-F60 PolarHBondContact O-N 2.72Å; A58-F60 VanDerWaalsContact C-N 3.31Å; A58-F60 PolarHBondContact O-N 3.31Å; F60-I63 WeakPolarHBondContact O-CB 3.36Å; F60-I63 PolarHBondContact O-N 3.24Å; F60-L64 WeakPolarHBondContact O-CB 3.26Å; F60-L64 PolarHBondContact O-N 3.37Å
61	Q	67.8	Low	70.7	Confident	29 Å²	29	45 Å²	45	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-39.8	176.9	-64.8	-61.3	-30.3	0	0	111.8	I36 E57 A58 E59 I63 L64 L65	I36-Q61 HydrophobicContact CG2-CB 3.85Å; I36-Q61 HydrophobicContact CG2-CG 4.07Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.34Å; E57-Q61 PolarHBondContact OE1-NE2 3.45Å; A58-Q61 PolarHBondContact O-N 3.19Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 2.95Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-L64 PolarHBondContact O-N 2.79Å; Q61-L65 WeakPolarHBondContact O-CG 3.41Å; Q61-L65 PolarHBondContact O-N 3.28Å; Q61-L65 VanDerWaalsContact O-N 3.15Å
62	R	69.9	Low	70.8	Confident	13 Å²	13	49.5 Å²	49.5	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-49.2	173.2	179.6	179.1	172.9	-108.4	-2	110.4	A58 E59 L64 L65 L66 A81 Y102	A58-R62 PolarHBondContact O-N 3.28Å; E59-R62 WeakPolarHBondContact O-CB 3.36Å; E59-R62 PolarHBondContact O-N 2.95Å; E59-R62 IonicContact OE1-CZ 3.38Å; E59-R62 IonicContact OE1-NH1 3.08Å; E59-R62 PolarHBondContact OE1-NH1 3.47Å; E59-R62 WeakPolarHBondContact OE2-CD 3.48Å; E59-R62 IonicContact OE2-NH1 2.65Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.49Å; R62-L65 WeakPolarHBondContact O-CB 3.24Å; R62-L65 PolarHBondContact O-N 3.13Å; R62-L66 WeakPolarHBondContact O-CG 3.1Å; R62-L66 PolarHBondContact O-N 3.36Å; R62-L66 VanDerWaalsContact O-N 3.09Å; R62-A81 VanDerWaalsContact NH2-CB 3.25Å; R62-Y102 HydrophobicContact CB-CE1 4.45Å
63	I	72.1	Confident	70.8	Confident	22 Å²	22	50.9 Å²	50.9	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-46.2	176.8	-73.6	160.6	0	0	0	111.4	E59 F60 Q61 L65 L66 T67 W147	E59-I63 HydrophobicContact CG-CD1 3.9Å; E59-I63 HydrophobicContact CG-CG1 4.42Å; E59-I63 WeakPolarHBondContact O-CB 3.43Å; E59-I63 VanDerWaalsContact O-CD1 3.31Å; E59-I63 WeakPolarHBondContact O-CD1 3.28Å; E59-I63 WeakPolarHBondContact O-CG1 3.27Å; E59-I63 PolarHBondContact O-N 2.89Å; F60-I63 WeakPolarHBondContact O-CB 3.36Å; F60-I63 PolarHBondContact O-N 3.24Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 2.95Å; I63-L66 WeakPolarHBondContact O-CA 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.42Å; I63-L66 PolarHBondContact O-N 2.91Å; I63-T67 HydrophobicContact CG2-CG2 4.37Å; I63-T67 WeakPolarHBondContact O-CG2 3.48Å; I63-T67 PolarHBondContact O-N 2.81Å; I63-W147 HydrophobicContact CB-CG 4.5Å; I63-W147 HydrophobicContact CD1-CB 3.38Å; I63-W147 HydrophobicContact CD1-CD2 3.89Å; I63-W147 HydrophobicContact CD1-CG 3.29Å; I63-W147 HydrophobicContact CG1-CB 4.19Å; I63-W147 HydrophobicContact CG1-CD2 3.67Å; I63-W147 HydrophobicContact CG1-CE3 4.17Å; I63-W147 HydrophobicContact CG1-CG 3.63Å; I63-W147 VanDerWaalsContact CG2-CD1 3.46Å; I63-W147 HydrophobicContact CG2-CD2 4.17Å; I63-W147 HydrophobicContact CG2-CG 4.07Å; I63-W147 HydrophobicContact CG2-CZ2 4.22Å
64	L	69.9	Low	70.9	Confident	86 Å²	86	47.7 Å²	47.7	45%	0.45	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-42.7	178.9	-176.3	65	0	0	0	110.9	F60 Q61 R62 L66 T67	F60-L64 WeakPolarHBondContact O-CB 3.26Å; F60-L64 PolarHBondContact O-N 3.37Å; Q61-L64 PolarHBondContact O-N 2.79Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.49Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.48Å; L64-T67 PolarHBondContact O-N 3.47Å; L64-T67 PolarHBondContact O-OG1 3.44Å
65	L	68.2	Low	71.1	Confident	55 Å²	55	50 Å²	50	29%	0.288	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-40.7	173.2	-66.5	167.2	0	0	0	111.8	V32 I36 Q61 R62 I63 T67 T68	V32-L65 HydrophobicContact CG1-CD2 4.29Å; I36-L65 HydrophobicContact CD1-CD1 4.14Å; I36-L65 HydrophobicContact CD1-CD2 4.09Å; I36-L65 HydrophobicContact CD1-CG 4.18Å; Q61-L65 WeakPolarHBondContact O-CG 3.41Å; Q61-L65 PolarHBondContact O-N 3.28Å; Q61-L65 VanDerWaalsContact O-N 3.15Å; R62-L65 WeakPolarHBondContact O-CB 3.24Å; R62-L65 PolarHBondContact O-N 3.13Å; I63-L65 PolarHBondContact O-N 2.95Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.48Å; L65-T68 PolarHBondContact O-N 3.38Å; L65-T68 PolarHBondContact O-OG1 2.83Å
66	L	68.9	Low	71	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-40	178.7	-53.6	-164.6	0	0	0	112.1	R62 I63 L64 T68 L69 Q74 M77 W147	R62-L66 WeakPolarHBondContact O-CG 3.1Å; R62-L66 PolarHBondContact O-N 3.36Å; R62-L66 VanDerWaalsContact O-N 3.09Å; I63-L66 WeakPolarHBondContact O-CA 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.42Å; I63-L66 PolarHBondContact O-N 2.91Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.48Å; L66-T68 PolarHBondContact O-N 3.48Å; L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 3.03Å; L66-L69 VanDerWaalsContact O-N 3.08Å; L66-Q74 WeakPolarHBondContact O-CG 3.09Å; L66-M77 HydrophobicContact CD1-CE 4.1Å; L66-M77 HydrophobicContact CD2-CE 3.12Å; L66-M77 HydrophobicContact CD2-SD 3.71Å; L66-M77 HydrophobicContact CG-CE 4.18Å; L66-W147 HydrophobicContact CD1-CH2 3.9Å; L66-W147 HydrophobicContact CD1-CZ3 4.09Å
67	T	70.6	Confident	70.7	Confident	64 Å²	64	53.1 Å²	53.1	39%	0.393	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.8	-179.5	60.3	0	0	0	0	114	I63 L64 L65 L69 Q74	I63-T67 HydrophobicContact CG2-CG2 4.37Å; I63-T67 WeakPolarHBondContact O-CG2 3.48Å; I63-T67 PolarHBondContact O-N 2.81Å; L64-T67 PolarHBondContact O-N 3.47Å; L64-T67 PolarHBondContact O-OG1 3.44Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.48Å; T67-L69 VanDerWaalsContact C-N 3.32Å; T67-Q74 PolarHBondContact O-NE2 3.37Å
68	T	73	Confident	70.7	Confident	108 Å²	108	51.1 Å²	51.1	66%	0.663	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.4	174.5	69.8	0	0	0	0	114.1	L65 L66	L65-T68 PolarHBondContact O-N 3.38Å; L65-T68 PolarHBondContact O-OG1 2.83Å; L66-T68 PolarHBondContact O-N 3.48Å
69	L	71	Confident	70.8	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.147	28%	0.28	C	S	.	.	S	Bend	trans	-86	161.4	-178.3	-60.1	174.9	0	0	0	112.2	L66 T67 E73 Q74 M77 L95	L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 3.03Å; L66-L69 VanDerWaalsContact O-N 3.08Å; T67-L69 VanDerWaalsContact C-N 3.32Å; L69-E73 HydrophobicContact CB-CB 4.16Å; L69-Q74 HydrophobicContact CB-CG 4.11Å; L69-Q74 PolarHBondContact O-NE2 3.18Å; L69-M77 HydrophobicContact CD1-CG 4.33Å; L69-M77 HydrophobicContact CD1-SD 3.13Å; L69-M77 WeakPolarHBondContact CD1-SD 3.49Å; L69-L95 HydrophobicContact CD1-CD1 4.36Å; L69-L95 HydrophobicContact CD2-CD1 3.65Å
70	P	74.7	Confident	70.6	Confident	65 Å²	65	56 Å²	56	42%	0.422	29%	0.289	S	S	.	.			trans	-53.2	147.9	166	-26.1	36.4	0	0	0	112.5	D72 E73 Q74	P70-D72 VanDerWaalsContact C-N 3.32Å; P70-D72 WeakPolarHBondContact CB-OD1 3.39Å; P70-D72 PolarHBondContact O-N 2.88Å; P70-E73 HydrophobicContact CB-CB 4.48Å; P70-E73 HydrophobicContact CB-CG 4.29Å; P70-E73 HydrophobicContact CG-CG 4.41Å; P70-E73 WeakPolarHBondContact O-CB 3.25Å; P70-E73 PolarHBondContact O-N 3.39Å; P70-E73 VanDerWaalsContact O-N 3.08Å; P70-Q74 WeakPolarHBondContact O-CG 3.25Å; P70-Q74 PolarHBondContact O-N 2.98Å
71	K	75	Confident	70	Confident	144 Å²	144	51.8 Å²	51.8	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-37	-172.6	-73	-172	177.9	-175.3	0	113.6	E73 Q74 I75	K71-E73 VanDerWaalsContact C-N 3.35Å; K71-Q74 WeakPolarHBondContact O-CB 3.36Å; K71-Q74 PolarHBondContact O-N 3.37Å; K71-I75 PolarHBondContact O-N 3.21Å; K71-I75 VanDerWaalsContact O-N 3.16Å
72	D	70.6	Confident	69.5	Low	106 Å²	106	53.4 Å²	53.4	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-39.8	174.3	56.9	-47.8	0	0	0	111.8	P70 N76	P70-D72 VanDerWaalsContact C-N 3.32Å; P70-D72 WeakPolarHBondContact CB-OD1 3.39Å; P70-D72 PolarHBondContact O-N 2.88Å; D72-N76 PolarHBondContact O-N 3.22Å; D72-N76 PolarHBondContact O-ND2 3.33Å
73	E	72.2	Confident	68.8	Low	64 Å²	64	57.8 Å²	57.8	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-37.7	172.2	-66.7	-172.3	-171.3	0	0	112.2	L69 P70 K71 I75 N76 M77	L69-E73 HydrophobicContact CB-CB 4.16Å; P70-E73 HydrophobicContact CB-CB 4.48Å; P70-E73 HydrophobicContact CB-CG 4.29Å; P70-E73 HydrophobicContact CG-CG 4.41Å; P70-E73 WeakPolarHBondContact O-CB 3.25Å; P70-E73 PolarHBondContact O-N 3.39Å; P70-E73 VanDerWaalsContact O-N 3.08Å; K71-E73 VanDerWaalsContact C-N 3.35Å; E73-I75 PolarHBondContact O-N 3.05Å; E73-N76 PolarHBondContact O-N 3.03Å; E73-M77 WeakPolarHBondContact O-CB 3.38Å; E73-M77 VanDerWaalsContact O-CG 3.26Å; E73-M77 WeakPolarHBondContact O-CG 3.31Å; E73-M77 PolarHBondContact O-N 3.24Å
74	Q	73	Confident	67.8	Low	15 Å²	15	66.4 Å²	66.4	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-42.5	177.8	-68.4	-179.4	31.7	0	0	112.4	L66 T67 L69 P70 K71 M77 I78 Y151	L66-Q74 WeakPolarHBondContact O-CG 3.09Å; T67-Q74 PolarHBondContact O-NE2 3.37Å; L69-Q74 HydrophobicContact CB-CG 4.11Å; L69-Q74 PolarHBondContact O-NE2 3.18Å; P70-Q74 WeakPolarHBondContact O-CG 3.25Å; P70-Q74 PolarHBondContact O-N 2.98Å; K71-Q74 WeakPolarHBondContact O-CB 3.36Å; K71-Q74 PolarHBondContact O-N 3.37Å; Q74-M77 WeakPolarHBondContact O-CB 3.41Å; Q74-M77 PolarHBondContact O-N 3.47Å; Q74-I78 WeakPolarHBondContact O-CG1 3.42Å; Q74-I78 PolarHBondContact O-N 3.11Å; Q74-Y151 VanDerWaalsContact CB-OH 3.31Å; Q74-Y151 WeakPolarHBondContact CB-OH 3.22Å; Q74-Y151 PolarHBondContact OE1-OH 3.33Å
75	I	69.6	Low	66.7	Low	56 Å²	56	68.5 Å²	68.5	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-45.8	178.1	-66.4	171	0	0	0	110.5	K71 E73 M77 I78 I79 Y151 L162	K71-I75 PolarHBondContact O-N 3.21Å; K71-I75 VanDerWaalsContact O-N 3.16Å; E73-I75 PolarHBondContact O-N 3.05Å; I75-M77 PolarHBondContact O-N 2.98Å; I75-I78 WeakPolarHBondContact O-CB 3.48Å; I75-I78 PolarHBondContact O-N 3.45Å; I75-I78 VanDerWaalsContact O-N 3.1Å; I75-I79 HydrophobicContact CG2-CD1 3.99Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.41Å; I75-I79 VanDerWaalsContact O-N 3.08Å; I75-Y151 HydrophobicContact CG1-CE1 4.37Å; I75-L162 HydrophobicContact CG2-CD2 4.31Å
76	N	70	Confident	65.6	Low	79 Å²	79	68.7 Å²	68.7	42%	0.422	36%	0.362	S	S	.	.	H	α-helix	trans	-57.3	-37.2	174.2	-75.7	-30.3	0	0	0	111.7	D72 E73 Q80	D72-N76 PolarHBondContact O-N 3.22Å; D72-N76 PolarHBondContact O-ND2 3.33Å; E73-N76 PolarHBondContact O-N 3.03Å; N76-Q80 VanDerWaalsContact O-CB 3.28Å; N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 3.1Å
77	M	66.5	Low	64.6	Low	6 Å²	6	74.2 Å²	74.2	3%	0.03	40%	0.397	C	S	.	.	H	α-helix	trans	-67.5	-40.6	175.1	-82.4	-156.6	68.9	0	0	114	L66 L69 E73 Q74 I75 I79 Q80 A81 F91 I99	L66-M77 HydrophobicContact CD1-CE 4.1Å; L66-M77 HydrophobicContact CD2-CE 3.12Å; L66-M77 HydrophobicContact CD2-SD 3.71Å; L66-M77 HydrophobicContact CG-CE 4.18Å; L69-M77 HydrophobicContact CD1-CG 4.33Å; L69-M77 HydrophobicContact CD1-SD 3.13Å; L69-M77 WeakPolarHBondContact CD1-SD 3.49Å; E73-M77 WeakPolarHBondContact O-CB 3.38Å; E73-M77 VanDerWaalsContact O-CG 3.26Å; E73-M77 WeakPolarHBondContact O-CG 3.31Å; E73-M77 PolarHBondContact O-N 3.24Å; Q74-M77 WeakPolarHBondContact O-CB 3.41Å; Q74-M77 PolarHBondContact O-N 3.47Å; I75-M77 PolarHBondContact O-N 2.98Å; M77-I79 VanDerWaalsContact C-N 3.33Å; M77-Q80 PolarHBondContact O-N 3.49Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 2.74Å; M77-F91 HydrophobicContact CB-CE1 4.31Å; M77-F91 HydrophobicContact CB-CZ 4.35Å; M77-F91 HydrophobicContact CE-CZ 4.45Å; M77-F91 HydrophobicContact CG-CD1 4.02Å; M77-F91 HydrophobicContact CG-CE1 3.16Å; M77-F91 HydrophobicContact CG-CZ 3.5Å; M77-F91 HydrophobicContact SD-CD1 4.46Å; M77-F91 HydrophobicContact SD-CE1 4.09Å; M77-F91 HydrophobicContact SD-CZ 4.5Å; M77-I99 HydrophobicContact CE-CD1 3.7Å
78	I	70.1	Confident	63.5	Low	0 Å²	0	78.2 Å²	78.2	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-58.1	-52.6	175.8	-75.1	162.7	0	0	0	108.9	Q74 I75 Q80 A81 W147 A148 Y151 L152 Y166	Q74-I78 WeakPolarHBondContact O-CG1 3.42Å; Q74-I78 PolarHBondContact O-N 3.11Å; I75-I78 WeakPolarHBondContact O-CB 3.48Å; I75-I78 PolarHBondContact O-N 3.45Å; I75-I78 VanDerWaalsContact O-N 3.1Å; I78-Q80 PolarHBondContact O-N 2.9Å; I78-A81 PolarHBondContact O-N 2.83Å; I78-W147 HydrophobicContact CD1-CH2 3.72Å; I78-W147 HydrophobicContact CD1-CZ2 4.5Å; I78-W147 HydrophobicContact CD1-CZ3 3.99Å; I78-W147 HydrophobicContact CG1-CH2 3.5Å; I78-W147 VanDerWaalsContact CG1-CH2 3.5Å; I78-W147 HydrophobicContact CG1-CZ3 3.43Å; I78-W147 VanDerWaalsContact CG1-CZ3 3.43Å; I78-A148 HydrophobicContact CG2-CB 4.16Å; I78-Y151 HydrophobicContact CD1-CD1 3.13Å; I78-Y151 HydrophobicContact CD1-CE1 3.41Å; I78-Y151 VanDerWaalsContact CD1-CE1 3.41Å; I78-Y151 HydrophobicContact CD1-CG 3.95Å; I78-L152 HydrophobicContact CD1-CD2 4.47Å; I78-L152 HydrophobicContact CG2-CD1 4.43Å; I78-Y166 HydrophobicContact CG2-CD2 4.22Å; I78-Y166 HydrophobicContact CG2-CE1 4.1Å; I78-Y166 HydrophobicContact CG2-CE2 3.38Å; I78-Y166 VanDerWaalsContact CG2-OH 3.3Å; I78-Y166 WeakPolarHBondContact CG2-OH 3.31Å; I78-Y166 PolarHBondContact O-OH 2.94Å
79	I	68.9	Low	62.3	Low	66 Å²	66	74.2 Å²	74.2	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-55.6	-51.3	178.8	-64	166	0	0	0	110.3	I75 M77 A81 L162 Y166	I75-I79 HydrophobicContact CG2-CD1 3.99Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.41Å; I75-I79 VanDerWaalsContact O-N 3.08Å; M77-I79 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3.08Å; I79-L162 HydrophobicContact CD1-CD2 4.12Å; I79-L162 HydrophobicContact CG1-CD1 3.97Å; I79-L162 HydrophobicContact CG1-CD2 3.93Å; I79-Y166 WeakPolarHBondContact CA-OH 3.46Å; I79-Y166 PolarHBondContact N-OH 2.86Å
80	Q	66.5	Low	61.6	Low	48 Å²	48	78.3 Å²	78.3	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-78.4	-19.4	-173.4	-68.7	174.3	26.5	0	0	114.6	N76 M77 I78 M82 D83 F91	N76-Q80 VanDerWaalsContact O-CB 3.28Å; N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 3.1Å; M77-Q80 PolarHBondContact O-N 3.49Å; I78-Q80 PolarHBondContact O-N 2.9Å; Q80-M82 PolarHBondContact O-N 3.28Å; Q80-D83 PolarHBondContact O-N 3.42Å; Q80-F91 HydrophobicContact CB-CE2 4.43Å; Q80-F91 HydrophobicContact CB-CZ 4.03Å
81	A	61.1	Low	60.8	Low	29 Å²	29	77 Å²	77	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-67.4	-21.5	-180	0	0	0	0	0	113.2	R62 M77 I78 I79 F144	R62-A81 VanDerWaalsContact NH2-CB 3.25Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 2.74Å; I78-A81 PolarHBondContact O-N 2.83Å; I79-A81 PolarHBondContact O-N 3.08Å; A81-F144 HydrophobicContact CB-CE1 4.15Å; A81-F144 HydrophobicContact CB-CE2 3.63Å; A81-F144 HydrophobicContact CB-CZ 3.4Å
82	M	57.2	Low	60.3	Low	62 Å²	62	72.6 Å²	72.6	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-102.7	-21.3	176.3	-82	-176.7	62.6	0	0	114	Q80 K84 F144 T145 Y166 E169	Q80-M82 PolarHBondContact O-N 3.28Å; M82-K84 PolarHBondContact O-N 3.15Å; M82-F144 HydrophobicContact CG-CD1 3.72Å; M82-F144 HydrophobicContact CG-CE1 3.45Å; M82-F144 VanDerWaalsContact CG-CE1 3.45Å; M82-F144 HydrophobicContact SD-CD1 3.69Å; M82-F144 HydrophobicContact SD-CE1 3.58Å; M82-F144 VanDerWaalsContact SD-CE1 3.58Å; M82-T145 HydrophobicContact CE-CG2 4.43Å; M82-T145 HydrophobicContact SD-CG2 3.98Å; M82-Y166 HydrophobicContact SD-CD1 4.16Å; M82-Y166 HydrophobicContact SD-CE1 3.52Å; M82-Y166 VanDerWaalsContact SD-CE1 3.52Å; M82-E169 HydrophobicContact CE-CB 4.23Å; M82-E169 HydrophobicContact CE-CG 3.81Å
83	D	55.2	Low	60.1	Low	106 Å²	106	76 Å²	76	57%	0.567	41%	0.407	S	S	*	.			trans	-67	110.2	171	-96	-14.4	0	0	0	109.8	Q80 D85	Q80-D83 PolarHBondContact O-N 3.42Å; D83-D85 PolarHBondContact O-N 3.43Å
84	K	52	Low	59.9	Low	202 Å²	202	77.6 Å²	77.6	88%	0.878	41%	0.414	S	S	*	.	S	Bend	trans	-58.3	-17.1	175.9	-70.4	179.6	178.8	176	0	112.2	M82	M82-K84 PolarHBondContact O-N 3.15Å
85	D	46.1	Very low	59.2	Low	130 Å²	130	78.3 Å²	78.3	70%	0.695	42%	0.418	S	S	*	.			trans	-107.6	61.1	-174.1	-64.4	-29.2	0	0	0	112.7	D83 T87	D83-D85 PolarHBondContact O-N 3.43Å; D85-T87 PolarHBondContact O-N 2.87Å; D85-T87 PolarHBondContact O-OG1 3.35Å
86	S	45.7	Very low	58.9	Low	59 Å²	59	78.9 Å²	78.9	41%	0.413	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-66.1	27.6	178	73.2	0	0	0	0	116	N88 K96	S86-N88 PolarHBondContact O-N 3.18Å; S86-K96 PolarHBondContact O-NZ 3.28Å
87	T	47.3	Very low	58.8	Low	122 Å²	122	78.2 Å²	78.2	75%	0.748	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.2	175	47.4	0	0	0	0	112	D85	D85-T87 PolarHBondContact O-N 2.87Å; D85-T87 PolarHBondContact O-OG1 3.35Å
88	N	47.5	Very low	58.5	Low	147 Å²	147	80.3 Å²	80.3	79%	0.786	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-101.4	25.2	-178.5	-74.1	-12.8	0	0	0	115.1	S86 S90	S86-N88 PolarHBondContact O-N 3.18Å; N88-S90 PolarHBondContact O-N 2.84Å
89	C	47.7	Very low	58.2	Low	25 Å²	25	82 Å²	82	17%	0.169	43%	0.433	C	S	.	.			trans	-73	119.4	-179.3	139.4	0	0	0	0	111.4	F91	C89-F91 VanDerWaalsContact C-N 3.26Å; C89-F91 HydrophobicContact CB-CD2 4Å; C89-F91 HydrophobicContact CB-CE2 4.1Å; C89-F91 PolarHBondContact O-N 2.98Å; C89-F91 VanDerWaalsContact SG-CB 3.51Å; C89-F91 WeakPolarHBondContact SG-CD2 3.24Å; C89-F91 WeakPolarHBondContact SG-CG 3.3Å; C89-F91 PolarHBondContact SG-N 3.4Å; C89-F91 VanDerWaalsContact SG-N 3.35Å
90	S	56.7	Low	58	Low	113 Å²	113	82.9 Å²	82.9	79%	0.79	44%	0.439	S	S	*	.			trans	-84.9	12.5	171.3	-169.9	0	0	0	0	113.3	N88	N88-S90 PolarHBondContact O-N 2.84Å
91	F	58.2	Low	57.8	Low	37 Å²	37	83.5 Å²	83.5	16%	0.162	44%	0.444	C	S	.	.	S	Bend	trans	-62	141.9	177.3	-55.2	-44	0	0	0	110.6	M77 Q80 C89 K93	M77-F91 HydrophobicContact CB-CE1 4.31Å; M77-F91 HydrophobicContact CB-CZ 4.35Å; M77-F91 HydrophobicContact CE-CZ 4.45Å; M77-F91 HydrophobicContact CG-CD1 4.02Å; M77-F91 HydrophobicContact CG-CE1 3.16Å; M77-F91 HydrophobicContact CG-CZ 3.5Å; M77-F91 HydrophobicContact SD-CD1 4.46Å; M77-F91 HydrophobicContact SD-CE1 4.09Å; M77-F91 HydrophobicContact SD-CZ 4.5Å; Q80-F91 HydrophobicContact CB-CE2 4.43Å; Q80-F91 HydrophobicContact CB-CZ 4.03Å; C89-F91 VanDerWaalsContact C-N 3.26Å; C89-F91 HydrophobicContact CB-CD2 4Å; C89-F91 HydrophobicContact CB-CE2 4.1Å; C89-F91 PolarHBondContact O-N 2.98Å; C89-F91 VanDerWaalsContact SG-CB 3.51Å; C89-F91 WeakPolarHBondContact SG-CD2 3.24Å; C89-F91 WeakPolarHBondContact SG-CG 3.3Å; C89-F91 PolarHBondContact SG-N 3.4Å; C89-F91 VanDerWaalsContact SG-N 3.35Å; F91-K93 PolarHBondContact O-N 3.5Å; F91-K93 VanDerWaalsContact O-N 3.09Å
92	P	63.5	Low	57.8	Low	53 Å²	53	83 Å²	83	34%	0.344	44%	0.436	S	S	.	.			trans	-45.6	124.6	160.8	-27.8	33.9	0	0	0	109.3	H94 L95 K96	P92-H94 WeakPolarHBondContact CB-CE1 3.32Å; P92-H94 VanDerWaalsContact CB-ND1 3.27Å; P92-H94 WeakPolarHBondContact CB-ND1 3.24Å; P92-H94 PolarHBondContact O-N 3.47Å; P92-L95 HydrophobicContact CB-CD1 4.48Å; P92-L95 HydrophobicContact CB-CG 4.43Å; P92-L95 HydrophobicContact CG-CD1 4.2Å; P92-L95 PolarHBondContact O-N 3.14Å; P92-K96 PolarHBondContact O-N 3.22Å
93	K	67.1	Low	58.1	Low	178 Å²	178	83.6 Å²	83.6	77%	0.774	44%	0.437	S	S	*	.	H	α-helix	trans	-47.1	-33.9	-174.9	-174.9	177.9	-179.3	178.4	0	113	F91 T97	F91-K93 PolarHBondContact O-N 3.5Å; F91-K93 VanDerWaalsContact O-N 3.09Å; K93-T97 WeakPolarHBondContact O-CB 3.31Å; K93-T97 PolarHBondContact O-N 3.3Å; K93-T97 PolarHBondContact O-OG1 2.89Å
94	H	67.2	Low	58.4	Low	96 Å²	96	85.2 Å²	85.2	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-65.1	-39	177.3	76.6	-90.1	0	0	0	113	P92 R98	P92-H94 WeakPolarHBondContact CB-CE1 3.32Å; P92-H94 VanDerWaalsContact CB-ND1 3.27Å; P92-H94 WeakPolarHBondContact CB-ND1 3.24Å; P92-H94 PolarHBondContact O-N 3.47Å; H94-R98 VanDerWaalsContact O-CB 3.32Å; H94-R98 WeakPolarHBondContact O-CB 3.26Å; H94-R98 WeakPolarHBondContact O-CD 3.49Å; H94-R98 WeakPolarHBondContact O-CG 3.26Å; H94-R98 PolarHBondContact O-N 3.27Å
95	L	60.1	Low	58.8	Low	31 Å²	31	76.8 Å²	76.8	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-69.2	-44.3	176.3	-67.9	180	0	0	0	111.8	L69 P92 T97 R98 I99	L69-L95 HydrophobicContact CD1-CD1 4.36Å; L69-L95 HydrophobicContact CD2-CD1 3.65Å; P92-L95 HydrophobicContact CB-CD1 4.48Å; P92-L95 HydrophobicContact CB-CG 4.43Å; P92-L95 HydrophobicContact CG-CD1 4.2Å; P92-L95 PolarHBondContact O-N 3.14Å; L95-T97 VanDerWaalsContact C-N 3.28Å; L95-T97 PolarHBondContact O-N 3.37Å; L95-R98 WeakPolarHBondContact O-CB 3.47Å; L95-R98 PolarHBondContact O-N 3.5Å; L95-R98 VanDerWaalsContact O-N 3.12Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.72Å
96	K	63.1	Low	59.5	Low	67 Å²	67	71.8 Å²	71.8	29%	0.291	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-45.4	174.5	-173.7	175.2	-169.5	163.5	0	111.2	S86 P92 I99 N100	S86-K96 PolarHBondContact O-NZ 3.28Å; P92-K96 PolarHBondContact O-N 3.22Å; K96-I99 PolarHBondContact O-N 2.77Å; K96-N100 WeakPolarHBondContact O-CB 3.34Å; K96-N100 VanDerWaalsContact O-CG 3.31Å; K96-N100 PolarHBondContact O-N 2.9Å; K96-N100 VanDerWaalsContact O-N 3.07Å; K96-N100 PolarHBondContact O-ND2 3.04Å
97	T	66.5	Low	60.1	Low	65 Å²	65	73.2 Å²	73.2	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-44.1	176.6	-54	0	0	0	0	111.2	K93 L95 N100 D101	K93-T97 WeakPolarHBondContact O-CB 3.31Å; K93-T97 PolarHBondContact O-N 3.3Å; K93-T97 PolarHBondContact O-OG1 2.89Å; L95-T97 VanDerWaalsContact C-N 3.28Å; L95-T97 PolarHBondContact O-N 3.37Å; T97-N100 PolarHBondContact O-N 3.38Å; T97-D101 WeakPolarHBondContact O-CB 3.16Å; T97-D101 PolarHBondContact O-N 2.89Å
98	R	61.3	Low	60.8	Low	50 Å²	50	70.1 Å²	70.1	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-43.2	179.3	-78	167.1	172	-169.6	9.3	113.2	T27 I33 H94 L95 N100 D101 Y102	T27-R98 PolarHBondContact OG1-NH2 2.81Å; I33-R98 HydrophobicContact CD1-CB 3.59Å; I33-R98 HydrophobicContact CD1-CG 3.33Å; H94-R98 VanDerWaalsContact O-CB 3.32Å; H94-R98 WeakPolarHBondContact O-CB 3.26Å; H94-R98 WeakPolarHBondContact O-CD 3.49Å; H94-R98 WeakPolarHBondContact O-CG 3.26Å; H94-R98 PolarHBondContact O-N 3.27Å; L95-R98 WeakPolarHBondContact O-CB 3.47Å; L95-R98 PolarHBondContact O-N 3.5Å; L95-R98 VanDerWaalsContact O-N 3.12Å; R98-N100 VanDerWaalsContact C-N 3.33Å; R98-D101 PolarHBondContact O-N 3.21Å; R98-Y102 WeakPolarHBondContact O-CB 3.41Å; R98-Y102 PolarHBondContact O-N 2.97Å
99	I	63.4	Low	61.3	Low	35 Å²	35	64.2 Å²	64.2	18%	0.179	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-42.2	176.2	-67.4	166.2	0	0	0	110.1	M77 L95 K96 Y102 K103	M77-I99 HydrophobicContact CE-CD1 3.7Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.72Å; K96-I99 PolarHBondContact O-N 2.77Å; I99-Y102 WeakPolarHBondContact O-CB 3.36Å; I99-Y102 PolarHBondContact O-N 3.18Å; I99-K103 HydrophobicContact CG2-CD 4.45Å; I99-K103 WeakPolarHBondContact O-CG 3.49Å; I99-K103 PolarHBondContact O-N 3.19Å
100	N	64.7	Low	61.7	Low	86 Å²	86	63 Å²	63	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-43.7	177.4	-73.8	-14.1	0	0	0	112.5	K96 T97 R98 Y102 K103 Y104	K96-N100 WeakPolarHBondContact O-CB 3.34Å; K96-N100 VanDerWaalsContact O-CG 3.31Å; K96-N100 PolarHBondContact O-N 2.9Å; K96-N100 VanDerWaalsContact O-N 3.07Å; K96-N100 PolarHBondContact O-ND2 3.04Å; T97-N100 PolarHBondContact O-N 3.38Å; R98-N100 VanDerWaalsContact C-N 3.33Å; N100-Y102 VanDerWaalsContact C-N 3.27Å; N100-Y102 PolarHBondContact O-N 3.07Å; N100-K103 PolarHBondContact O-N 3.49Å; N100-Y104 WeakPolarHBondContact O-CB 3.49Å; N100-Y104 PolarHBondContact O-N 3.33Å
101	D	63.1	Low	61.8	Low	61 Å²	61	59.2 Å²	59.2	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-40.3	175.6	-83.2	-8.6	0	0	0	110.5	R18 T97 R98 A105	R18-D101 IonicContact NH2-OD1 2.87Å; R18-D101 PolarHBondContact NH2-OD1 2.9Å; R18-D101 IonicContact NH2-OD2 3.06Å; R18-D101 PolarHBondContact NH2-OD2 2.87Å; R18-D101 VanDerWaalsContact NH2-OD2 3.08Å; T97-D101 WeakPolarHBondContact O-CB 3.16Å; T97-D101 PolarHBondContact O-N 2.89Å; R98-D101 PolarHBondContact O-N 3.21Å; D101-A105 VanDerWaalsContact O-CB 3.26Å; D101-A105 WeakPolarHBondContact O-CB 3.49Å; D101-A105 PolarHBondContact O-N 2.82Å
102	Y	60.7	Low	61.9	Low	19 Å²	19	61.6 Å²	61.6	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-51.3	173.5	177.8	-93	0	0	0	112.3	I36 A58 R62 R98 I99 N100 Y104 A105 Y106	I36-Y102 HydrophobicContact CG2-CE2 4.26Å; A58-Y102 WeakPolarHBondContact CA-OH 3Å; A58-Y102 WeakPolarHBondContact CB-OH 2.94Å; A58-Y102 PolarHBondContact O-OH 3.42Å; R62-Y102 HydrophobicContact CB-CE1 4.45Å; R98-Y102 WeakPolarHBondContact O-CB 3.41Å; R98-Y102 PolarHBondContact O-N 2.97Å; I99-Y102 WeakPolarHBondContact O-CB 3.36Å; I99-Y102 PolarHBondContact O-N 3.18Å; N100-Y102 VanDerWaalsContact C-N 3.27Å; N100-Y102 PolarHBondContact O-N 3.07Å; Y102-Y104 VanDerWaalsContact C-N 3.28Å; Y102-Y104 PolarHBondContact O-N 2.91Å; Y102-A105 PolarHBondContact O-N 3.39Å; Y102-Y106 VanDerWaalsContact O-CB 3.26Å; Y102-Y106 WeakPolarHBondContact O-CB 3.46Å; Y102-Y106 PolarHBondContact O-N 3.22Å
103	K	62.4	Low	61.7	Low	74 Å²	74	60.9 Å²	60.9	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-57.2	-42.9	177.8	-77.4	-170.9	171.2	-144.7	0	111.4	I99 N100 Y107 E140	I99-K103 HydrophobicContact CG2-CD 4.45Å; I99-K103 WeakPolarHBondContact O-CG 3.49Å; I99-K103 PolarHBondContact O-N 3.19Å; N100-K103 PolarHBondContact O-N 3.49Å; K103-Y107 VanDerWaalsContact O-CB 3.26Å; K103-Y107 WeakPolarHBondContact O-CB 3.08Å; K103-Y107 PolarHBondContact O-N 2.94Å; K103-E140 WeakPolarHBondContact CE-OE1 3.34Å; K103-E140 IonicContact NZ-OE1 2.68Å; K103-E140 PolarHBondContact NZ-OE1 3.36Å
104	Y	62.7	Low	61.2	Low	140 Å²	140	52.4 Å²	52.4	55%	0.549	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-47	177.9	-178.8	-99.2	0	0	0	112.4	N100 Y102 Y106 Y107 K108	N100-Y104 WeakPolarHBondContact O-CB 3.49Å; N100-Y104 PolarHBondContact O-N 3.33Å; Y102-Y104 VanDerWaalsContact C-N 3.28Å; Y102-Y104 PolarHBondContact O-N 2.91Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.41Å; Y104-Y107 PolarHBondContact O-N 3.35Å; Y104-K108 HydrophobicContact CE1-CD 4.28Å; Y104-K108 WeakPolarHBondContact O-CB 3.17Å; Y104-K108 PolarHBondContact O-N 3.31Å
105	A	60	Low	60.8	Low	25 Å²	25	51.8 Å²	51.8	21%	0.207	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-45.2	177.2	0	0	0	0	0	111	I37 D101 Y102 K108 S109	I37-A105 HydrophobicContact CD1-CB 4.42Å; D101-A105 VanDerWaalsContact O-CB 3.26Å; D101-A105 WeakPolarHBondContact O-CB 3.49Å; D101-A105 PolarHBondContact O-N 2.82Å; Y102-A105 PolarHBondContact O-N 3.39Å; A105-K108 PolarHBondContact O-N 2.81Å; A105-S109 WeakPolarHBondContact O-CB 3.33Å; A105-S109 PolarHBondContact O-N 2.93Å; A105-S109 PolarHBondContact O-OG 2.98Å
106	Y	59.8	Low	60.8	Low	25 Å²	25	53.7 Å²	53.7	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-56.3	174.3	-175.7	-94.9	0	0	0	110.7	M55 A58 Y102 Y104 K108 S109 S110	M55-Y106 WeakPolarHBondContact CA-OH 3.27Å; M55-Y106 HydrophobicContact CE-CE1 3.77Å; M55-Y106 WeakPolarHBondContact CG-OH 3.4Å; M55-Y106 PolarHBondContact N-OH 3.3Å; M55-Y106 HydrophobicContact SD-CE1 3.43Å; M55-Y106 WeakPolarHBondContact SD-CE1 3.15Å; M55-Y106 PolarHBondContact SD-OH 2.77Å; A58-Y106 HydrophobicContact CB-CD2 3.65Å; A58-Y106 HydrophobicContact CB-CE2 3.34Å; Y102-Y106 VanDerWaalsContact O-CB 3.26Å; Y102-Y106 WeakPolarHBondContact O-CB 3.46Å; Y102-Y106 PolarHBondContact O-N 3.22Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.41Å; Y106-K108 VanDerWaalsContact C-N 3.3Å; Y106-K108 PolarHBondContact O-N 3.38Å; Y106-S109 PolarHBondContact O-N 2.91Å; Y106-S110 VanDerWaalsContact CE1-OG 3.3Å; Y106-S110 WeakPolarHBondContact CE1-OG 3.41Å; Y106-S110 VanDerWaalsContact CZ-OG 3.3Å; Y106-S110 WeakPolarHBondContact O-CB 3.24Å; Y106-S110 PolarHBondContact O-N 3.28Å; Y106-S110 PolarHBondContact O-OG 2.75Å
107	Y	59.3	Low	60.5	Low	89 Å²	89	51.8 Å²	51.8	35%	0.349	26%	0.256	S	S	.	.	H	α-helix	trans	-54	-46.2	179	178.3	-106.9	0	0	0	112.5	K103 Y104 S110 I111 H133	K103-Y107 VanDerWaalsContact O-CB 3.26Å; K103-Y107 WeakPolarHBondContact O-CB 3.08Å; K103-Y107 PolarHBondContact O-N 2.94Å; Y104-Y107 PolarHBondContact O-N 3.35Å; Y107-S110 PolarHBondContact O-N 2.9Å; Y107-I111 HydrophobicContact CD1-CD1 3.93Å; Y107-I111 HydrophobicContact CD2-CD1 4.41Å; Y107-I111 HydrophobicContact CE1-CD1 3.33Å; Y107-I111 HydrophobicContact CE1-CG1 4.45Å; Y107-I111 HydrophobicContact CE2-CD1 3.86Å; Y107-I111 HydrophobicContact CE2-CG1 4.36Å; Y107-I111 HydrophobicContact CG-CD1 4.45Å; Y107-I111 WeakPolarHBondContact O-CG1 3.38Å; Y107-I111 PolarHBondContact O-N 2.74Å; Y107-H133 AromaticContact CD2-ND1 3.72Å; Y107-H133 HydrophobicContact CE2-CB 4.01Å; Y107-H133 AromaticContact CE2-CE1 3.92Å; Y107-H133 AromaticContact CE2-CG 3.7Å; Y107-H133 AromaticContact CE2-ND1 3.28Å; Y107-H133 VanDerWaalsContact CE2-ND1 3.28Å; Y107-H133 WeakPolarHBondContact CE2-ND1 3.12Å
108	K	61.5	Low	60.1	Low	56 Å²	56	52.1 Å²	52.1	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-46.5	-179.8	-175.9	171.2	179.6	169.3	0	112.4	N15 Y104 A105 Y106 I111 Q112	N15-K108 PolarHBondContact O-NZ 3.42Å; N15-K108 WeakPolarHBondContact OD1-CE 2.93Å; Y104-K108 HydrophobicContact CE1-CD 4.28Å; Y104-K108 WeakPolarHBondContact O-CB 3.17Å; Y104-K108 PolarHBondContact O-N 3.31Å; A105-K108 PolarHBondContact O-N 2.81Å; Y106-K108 VanDerWaalsContact C-N 3.3Å; Y106-K108 PolarHBondContact O-N 3.38Å; K108-I111 PolarHBondContact O-N 3.03Å; K108-Q112 WeakPolarHBondContact O-CG 3.29Å; K108-Q112 PolarHBondContact O-N 2.99Å; K108-Q112 VanDerWaalsContact O-N 3.09Å
109	S	58.3	Low	59.9	Low	23 Å²	23	54.7 Å²	54.7	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-48.4	175.5	-70.3	0	0	0	0	110.3	F44 A105 Y106 I111 Q112 K113	F44-S109 WeakPolarHBondContact CE1-O 3.43Å; F44-S109 WeakPolarHBondContact CZ-O 3.45Å; A105-S109 WeakPolarHBondContact O-CB 3.33Å; A105-S109 PolarHBondContact O-N 2.93Å; A105-S109 PolarHBondContact O-OG 2.98Å; Y106-S109 PolarHBondContact O-N 2.91Å; S109-I111 PolarHBondContact O-N 2.65Å; S109-Q112 WeakPolarHBondContact O-CA 3.37Å; S109-Q112 WeakPolarHBondContact O-CB 3.33Å; S109-Q112 PolarHBondContact O-N 3.26Å; S109-K113 PolarHBondContact O-N 2.76Å
110	S	55.7	Low	59.5	Low	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-48.6	178.1	-65	0	0	0	0	111.1	Y106 Y107 Q112 K113 F114 Y132	Y106-S110 VanDerWaalsContact CE1-OG 3.3Å; Y106-S110 WeakPolarHBondContact CE1-OG 3.41Å; Y106-S110 VanDerWaalsContact CZ-OG 3.3Å; Y106-S110 WeakPolarHBondContact O-CB 3.24Å; Y106-S110 PolarHBondContact O-N 3.28Å; Y106-S110 PolarHBondContact O-OG 2.75Å; Y107-S110 PolarHBondContact O-N 2.9Å; S110-Q112 PolarHBondContact O-N 3.38Å; S110-K113 PolarHBondContact O-N 2.92Å; S110-F114 WeakPolarHBondContact O-CB 3.37Å; S110-F114 PolarHBondContact O-N 3.04Å; S110-Y132 VanDerWaalsContact C-OH 3.29Å; S110-Y132 WeakPolarHBondContact CA-OH 3.43Å; S110-Y132 WeakPolarHBondContact CB-OH 3.27Å; S110-Y132 WeakPolarHBondContact O-CE1 3.41Å; S110-Y132 PolarHBondContact O-OH 3.42Å
111	I	58.8	Low	59	Low	34 Å²	34	55 Å²	55	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-46	172.9	-74.1	175.9	0	0	0	112.2	Y107 K108 S109 K113 F114 L115	Y107-I111 HydrophobicContact CD1-CD1 3.93Å; Y107-I111 HydrophobicContact CD2-CD1 4.41Å; Y107-I111 HydrophobicContact CE1-CD1 3.33Å; Y107-I111 HydrophobicContact CE1-CG1 4.45Å; Y107-I111 HydrophobicContact CE2-CD1 3.86Å; Y107-I111 HydrophobicContact CE2-CG1 4.36Å; Y107-I111 HydrophobicContact CG-CD1 4.45Å; Y107-I111 WeakPolarHBondContact O-CG1 3.38Å; Y107-I111 PolarHBondContact O-N 2.74Å; K108-I111 PolarHBondContact O-N 3.03Å; S109-I111 PolarHBondContact O-N 2.65Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.42Å; I111-F114 WeakPolarHBondContact O-CB 3.33Å; I111-F114 PolarHBondContact O-N 3.37Å; I111-F114 VanDerWaalsContact O-N 3.12Å; I111-L115 HydrophobicContact CG2-CD1 3.96Å; I111-L115 HydrophobicContact CG2-CG 4.27Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 2.9Å
112	Q	60.7	Low	58.6	Low	86 Å²	86	63.3 Å²	63.3	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-42.2	-179.5	-75.2	173.9	-13.2	0	0	111.8	N15 K108 S109 S110 F114 L115 S116	N15-Q112 PolarHBondContact OD1-NE2 3.43Å; K108-Q112 WeakPolarHBondContact O-CG 3.29Å; K108-Q112 PolarHBondContact O-N 2.99Å; K108-Q112 VanDerWaalsContact O-N 3.09Å; S109-Q112 WeakPolarHBondContact O-CA 3.37Å; S109-Q112 WeakPolarHBondContact O-CB 3.33Å; S109-Q112 PolarHBondContact O-N 3.26Å; S110-Q112 PolarHBondContact O-N 3.38Å; Q112-F114 VanDerWaalsContact C-N 3.34Å; Q112-L115 PolarHBondContact O-N 3.32Å; Q112-S116 PolarHBondContact O-N 3.21Å
113	K	59.5	Low	58.4	Low	39 Å²	39	63.1 Å²	63.1	17%	0.17	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-42.3	173.2	-167.4	74.5	168.3	-168.1	0	111.3	F44 S109 S110 I111 L115 S116 L117	F44-K113 HydrophobicContact CD1-CB 4.39Å; F44-K113 HydrophobicContact CD1-CD 4.32Å; F44-K113 HydrophobicContact CE1-CB 3.36Å; F44-K113 HydrophobicContact CE1-CD 4.05Å; F44-K113 HydrophobicContact CE1-CG 4.13Å; F44-K113 HydrophobicContact CE2-CB 4.19Å; F44-K113 HydrophobicContact CZ-CB 3.2Å; F44-K113 HydrophobicContact CZ-CD 4.32Å; F44-K113 HydrophobicContact CZ-CG 3.95Å; F44-K113 PolarHBondContact O-NZ 2.72Å; S109-K113 PolarHBondContact O-N 2.76Å; S110-K113 PolarHBondContact O-N 2.92Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.42Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.45Å; K113-S116 WeakPolarHBondContact CA-OG 3.46Å; K113-S116 CarbonylContact O-C 3.47Å; K113-S116 WeakPolarHBondContact O-CA 3.21Å; K113-S116 WeakPolarHBondContact O-CB 3.48Å; K113-S116 PolarHBondContact O-N 2.85Å; K113-S116 PolarHBondContact O-OG 3.32Å; K113-L117 HydrophobicContact CG-CD1 4.1Å; K113-L117 HydrophobicContact CG-CG 4.37Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 2.94Å
114	F	56.6	Low	58.2	Low	0 Å²	0	69.4 Å²	69.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-43.6	-179.9	178.2	-97	0	0	0	112.2	S110 I111 Q112 S116 L117 E118 T121 A123 A128 Y132 W186	S110-F114 WeakPolarHBondContact O-CB 3.37Å; S110-F114 PolarHBondContact O-N 3.04Å; I111-F114 WeakPolarHBondContact O-CB 3.33Å; I111-F114 PolarHBondContact O-N 3.37Å; I111-F114 VanDerWaalsContact O-N 3.12Å; Q112-F114 VanDerWaalsContact C-N 3.34Å; F114-S116 VanDerWaalsContact C-N 3.27Å; F114-S116 PolarHBondContact O-N 3.48Å; F114-L117 CarbonylContact O-C 3.56Å; F114-L117 WeakPolarHBondContact O-CA 3.25Å; F114-L117 WeakPolarHBondContact O-CB 3.48Å; F114-L117 PolarHBondContact O-N 2.96Å; F114-E118 PolarHBondContact O-N 2.93Å; F114-T121 HydrophobicContact CD2-CG2 4.22Å; F114-T121 HydrophobicContact CE2-CG2 3.69Å; F114-T121 HydrophobicContact CZ-CG2 4.46Å; F114-A123 HydrophobicContact CZ-CB 4.42Å; F114-A128 HydrophobicContact CE1-CB 3.24Å; F114-A128 WeakPolarHBondContact CE1-O 3.45Å; F114-A128 VanDerWaalsContact CZ-C 3.49Å; F114-A128 HydrophobicContact CZ-CB 3.45Å; F114-A128 VanDerWaalsContact CZ-CB 3.45Å; F114-A128 WeakPolarHBondContact CZ-O 3.43Å; F114-Y132 HydrophobicContact CB-CD1 3.84Å; F114-Y132 HydrophobicContact CB-CD2 3.61Å; F114-Y132 HydrophobicContact CB-CE1 3.97Å; F114-Y132 HydrophobicContact CB-CE2 3.72Å; F114-Y132 HydrophobicContact CB-CG 3.63Å; F114-Y132 HydrophobicContact CD1-CG 4.25Å; F114-Y132 AromaticContact CD2-CD2 3.13Å; F114-Y132 HydrophobicContact CD2-CD2 3.13Å; F114-Y132 AromaticContact CD2-CE2 3.86Å; F114-Y132 HydrophobicContact CD2-CE2 3.86Å; F114-Y132 AromaticContact CD2-CG 3.51Å; F114-Y132 HydrophobicContact CD2-CG 3.51Å; F114-Y132 AromaticContact CE2-CD2 3.95Å; F114-Y132 HydrophobicContact CE2-CD2 3.95Å; F114-Y132 HydrophobicContact CE2-CG 4.22Å; F114-Y132 HydrophobicContact CG-CD1 4.14Å; F114-Y132 AromaticContact CG-CD2 3.53Å; F114-Y132 HydrophobicContact CG-CD2 3.53Å; F114-Y132 HydrophobicContact CG-CE2 4.13Å; F114-Y132 AromaticContact CG-CG 3.49Å; F114-Y132 HydrophobicContact CG-CG 3.49Å; F114-Y132 VanDerWaalsContact CG-CG 3.49Å; F114-W186 HydrophobicContact CD2-CH2 4.2Å; F114-W186 AromaticContact CD2-CZ3 3.99Å; F114-W186 HydrophobicContact CD2-CZ3 3.99Å; F114-W186 AromaticContact CE2-CH2 3.76Å; F114-W186 HydrophobicContact CE2-CH2 3.76Å; F114-W186 AromaticContact CE2-CZ3 3.95Å; F114-W186 HydrophobicContact CE2-CZ3 3.95Å
115	L	58.5	Low	58	Low	83 Å²	83	66.1 Å²	66.1	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-37.6	172	-66.8	173.7	0	0	0	111.5	I111 Q112 K113 L117 E118	I111-L115 HydrophobicContact CG2-CD1 3.96Å; I111-L115 HydrophobicContact CG2-CG 4.27Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 2.9Å; Q112-L115 PolarHBondContact O-N 3.32Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.45Å; L115-L117 PolarHBondContact O-N 2.95Å; L115-E118 VanDerWaalsContact O-CB 3.31Å; L115-E118 WeakPolarHBondContact O-CB 3.35Å; L115-E118 PolarHBondContact O-N 3.49Å
116	S	60.7	Low	58.3	Low	71 Å²	71	70.8 Å²	70.8	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-18.9	172	82.6	0	0	0	0	113.9	Q112 K113 F114	Q112-S116 PolarHBondContact O-N 3.21Å; K113-S116 WeakPolarHBondContact CA-OG 3.46Å; K113-S116 CarbonylContact O-C 3.47Å; K113-S116 WeakPolarHBondContact O-CA 3.21Å; K113-S116 WeakPolarHBondContact O-CB 3.48Å; K113-S116 PolarHBondContact O-N 2.85Å; K113-S116 PolarHBondContact O-OG 3.32Å; F114-S116 VanDerWaalsContact C-N 3.27Å; F114-S116 PolarHBondContact O-N 3.48Å
117	L	56.9	Low	58.7	Low	26 Å²	26	73 Å²	73	14%	0.136	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	1.2	178.2	-64.4	179.3	0	0	0	113.1	K113 F114 L115 P119 Y120 T121 R191	K113-L117 HydrophobicContact CG-CD1 4.1Å; K113-L117 HydrophobicContact CG-CG 4.37Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 2.94Å; F114-L117 CarbonylContact O-C 3.56Å; F114-L117 WeakPolarHBondContact O-CA 3.25Å; F114-L117 WeakPolarHBondContact O-CB 3.48Å; F114-L117 PolarHBondContact O-N 2.96Å; L115-L117 PolarHBondContact O-N 2.95Å; L117-P119 VanDerWaalsContact O-N 3.12Å; L117-Y120 HydrophobicContact CD2-CD2 4.31Å; L117-Y120 WeakPolarHBondContact O-CA 3.45Å; L117-Y120 WeakPolarHBondContact O-CB 3.3Å; L117-Y120 PolarHBondContact O-N 3.49Å; L117-T121 HydrophobicContact CB-CG2 4.21Å; L117-T121 PolarHBondContact O-N 2.82Å; L117-R191 VanDerWaalsContact CD1-NH1 3.34Å
118	E	58.6	Low	58.9	Low	73 Å²	73	68.8 Å²	68.8	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-47	-39.3	178	-173.2	179.7	-150	0	0	113.3	F114 L115 Y120 S125	F114-E118 PolarHBondContact O-N 2.93Å; L115-E118 VanDerWaalsContact O-CB 3.31Å; L115-E118 WeakPolarHBondContact O-CB 3.35Å; L115-E118 PolarHBondContact O-N 3.49Å; E118-Y120 PolarHBondContact O-N 3.35Å; E118-Y120 VanDerWaalsContact O-N 3.11Å; E118-S125 WeakPolarHBondContact OE1-CA 3.1Å; E118-S125 WeakPolarHBondContact OE1-CB 3.15Å; E118-S125 PolarHBondContact OE1-OG 3.44Å
119	P	56.4	Low	59.1	Low	104 Å²	104	68 Å²	68	68%	0.675	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-20.3	176	-23.2	34.8	0	0	0	114.8	L117	L117-P119 VanDerWaalsContact O-N 3.12Å
120	Y	54.8	Low	59.7	Low	119 Å²	119	73.3 Å²	73.3	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-108.1	-15.6	-172	-59.8	-75.6	0	0	0	113.9	L117 E118	L117-Y120 HydrophobicContact CD2-CD2 4.31Å; L117-Y120 WeakPolarHBondContact O-CA 3.45Å; L117-Y120 WeakPolarHBondContact O-CB 3.3Å; L117-Y120 PolarHBondContact O-N 3.49Å; E118-Y120 PolarHBondContact O-N 3.35Å; E118-Y120 VanDerWaalsContact O-N 3.11Å
121	T	54.3	Low	60.4	Low	8 Å²	8	74.5 Å²	74.5	5%	0.049	37%	0.373	C	S	.	.	H	α-helix	trans	-93.7	-7.4	-173.9	56.9	0	0	0	0	113.6	F114 L117 A123 W186	F114-T121 HydrophobicContact CD2-CG2 4.22Å; F114-T121 HydrophobicContact CE2-CG2 3.69Å; F114-T121 HydrophobicContact CZ-CG2 4.46Å; L117-T121 HydrophobicContact CB-CG2 4.21Å; L117-T121 PolarHBondContact O-N 2.82Å; T121-A123 PolarHBondContact O-N 3.21Å; T121-W186 HydrophobicContact CG2-CZ3 4.46Å
122	R	55.4	Low	60.8	Low	235 Å²	235	73.1 Å²	73.1	89%	0.887	37%	0.366	S	S	*	.			trans	50.6	14.1	-176.2	-67.4	-175.7	176.2	-177.5	-0.7	114.1
123	A	54.9	Low	61.4	Low	15 Å²	15	72 Å²	72	12%	0.124	36%	0.361	C	S	.	.			trans	-86.6	133	179.2	0	0	0	0	0	108.7	F114 T121 S125 A128 I131	F114-A123 HydrophobicContact CZ-CB 4.42Å; T121-A123 PolarHBondContact O-N 3.21Å; A123-S125 PolarHBondContact O-N 2.92Å; A123-A128 HydrophobicContact CB-CB 3.61Å; A123-I131 HydrophobicContact CB-CD1 4.31Å
124	R	58.9	Low	62.1	Low	207 Å²	207	75.7 Å²	75.7	78%	0.781	38%	0.378	S	S	*	.			trans	-62	133.2	172.1	-73.2	-176.3	-178.5	-177.2	0.6	108.8	T126 T127 A128	R124-T126 PolarHBondContact O-N 3.39Å; R124-T127 PolarHBondContact O-N 2.96Å; R124-T127 PolarHBondContact O-OG1 3.47Å; R124-T127 VanDerWaalsContact O-OG1 3.14Å; R124-A128 VanDerWaalsContact O-CB 3.32Å; R124-A128 WeakPolarHBondContact O-CB 3.11Å; R124-A128 PolarHBondContact O-N 3.45Å; R124-A128 VanDerWaalsContact O-N 3.1Å
125	S	58.2	Low	63.1	Low	70 Å²	70	76.4 Å²	76.4	49%	0.49	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.1	-34.6	-176.4	-154	0	0	0	0	114.8	E118 A123 P129	E118-S125 WeakPolarHBondContact OE1-CA 3.1Å; E118-S125 WeakPolarHBondContact OE1-CB 3.15Å; E118-S125 PolarHBondContact OE1-OG 3.44Å; A123-S125 PolarHBondContact O-N 2.92Å; S125-P129 VanDerWaalsContact O-CD 3.28Å; S125-P129 WeakPolarHBondContact O-CD 3.07Å
126	T	67.3	Low	63.9	Low	124 Å²	124	72.8 Å²	72.8	76%	0.761	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-38.3	-179	52.4	0	0	0	0	115	R124	R124-T126 PolarHBondContact O-N 3.39Å
127	T	67.8	Low	64.7	Low	71 Å²	71	73.4 Å²	73.4	44%	0.436	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-18.3	-179.4	51.2	0	0	0	0	112.9	R124 H130 I131	R124-T127 PolarHBondContact O-N 2.96Å; R124-T127 PolarHBondContact O-OG1 3.47Å; R124-T127 VanDerWaalsContact O-OG1 3.14Å; T127-H130 WeakPolarHBondContact O-CB 3.48Å; T127-H130 PolarHBondContact O-N 3.1Å; T127-H130 VanDerWaalsContact O-N 3.12Å; T127-I131 PolarHBondContact O-N 3.21Å; T127-I131 VanDerWaalsContact O-N 3.09Å
128	A	63.7	Low	66	Low	1 Å²	1	74.2 Å²	74.2	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-58.2	-44.3	-170	0	0	0	0	0	112.2	F114 A123 R124 H130 Y132	F114-A128 HydrophobicContact CE1-CB 3.24Å; F114-A128 WeakPolarHBondContact CE1-O 3.45Å; F114-A128 VanDerWaalsContact CZ-C 3.49Å; F114-A128 HydrophobicContact CZ-CB 3.45Å; F114-A128 VanDerWaalsContact CZ-CB 3.45Å; F114-A128 WeakPolarHBondContact CZ-O 3.43Å; A123-A128 HydrophobicContact CB-CB 3.61Å; R124-A128 VanDerWaalsContact O-CB 3.32Å; R124-A128 WeakPolarHBondContact O-CB 3.11Å; R124-A128 PolarHBondContact O-N 3.45Å; R124-A128 VanDerWaalsContact O-N 3.1Å; A128-H130 PolarHBondContact O-N 3.02Å; A128-Y132 WeakPolarHBondContact O-CB 3.47Å; A128-Y132 PolarHBondContact O-N 3.18Å; A128-Y132 VanDerWaalsContact O-N 3.11Å
129	P	66.2	Low	67.1	Low	40 Å²	40	70.8 Å²	70.8	26%	0.26	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.3	-23.6	34.6	0	0	0	114.3	S125 Y132 H133	S125-P129 VanDerWaalsContact O-CD 3.28Å; S125-P129 WeakPolarHBondContact O-CD 3.07Å; P129-Y132 PolarHBondContact O-N 2.67Å; P129-H133 WeakPolarHBondContact O-CB 3.03Å; P129-H133 PolarHBondContact O-N 2.96Å
130	H	69.4	Low	68.2	Low	134 Å²	134	68 Å²	68	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-50.2	-179.4	-121.2	83.8	0	0	0	111.1	T127 A128 Y132 H133 E134	T127-H130 WeakPolarHBondContact O-CB 3.48Å; T127-H130 PolarHBondContact O-N 3.1Å; T127-H130 VanDerWaalsContact O-N 3.12Å; A128-H130 PolarHBondContact O-N 3.02Å; H130-Y132 PolarHBondContact O-N 3.2Å; H130-H133 WeakPolarHBondContact O-CB 3.49Å; H130-H133 PolarHBondContact O-N 3.37Å; H130-H133 VanDerWaalsContact O-N 3.13Å; H130-E134 WeakPolarHBondContact O-CG 3.44Å; H130-E134 PolarHBondContact O-N 3.46Å
131	I	71.1	Confident	69.7	Low	25 Å²	25	66.3 Å²	66.3	13%	0.128	32%	0.319	C	S	.	.	H	α-helix	trans	-51.6	-44.8	173.8	-80.3	166.7	0	0	0	111.5	A123 T127 E134 E135 W186	A123-I131 HydrophobicContact CB-CD1 4.31Å; T127-I131 PolarHBondContact O-N 3.21Å; T127-I131 VanDerWaalsContact O-N 3.09Å; I131-E134 PolarHBondContact O-N 3.37Å; I131-E135 PolarHBondContact O-N 3.12Å; I131-W186 HydrophobicContact CG2-CH2 4.03Å; I131-W186 HydrophobicContact CG2-CZ2 3.87Å
132	Y	68.1	Low	71.3	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-71.2	-39.1	-177.4	-178.3	-98.7	0	0	0	111.9	L51 S110 F114 A128 P129 H130 E135 C136 W186	L51-Y132 HydrophobicContact CD1-CE2 3.65Å; L51-Y132 WeakPolarHBondContact CD1-OH 2.97Å; L51-Y132 HydrophobicContact CD2-CD2 4.07Å; L51-Y132 HydrophobicContact CD2-CE2 3.57Å; L51-Y132 HydrophobicContact CG-CE2 4.19Å; S110-Y132 VanDerWaalsContact C-OH 3.29Å; S110-Y132 WeakPolarHBondContact CA-OH 3.43Å; S110-Y132 WeakPolarHBondContact CB-OH 3.27Å; S110-Y132 WeakPolarHBondContact O-CE1 3.41Å; S110-Y132 PolarHBondContact O-OH 3.42Å; F114-Y132 HydrophobicContact CB-CD1 3.84Å; F114-Y132 HydrophobicContact CB-CD2 3.61Å; F114-Y132 HydrophobicContact CB-CE1 3.97Å; F114-Y132 HydrophobicContact CB-CE2 3.72Å; F114-Y132 HydrophobicContact CB-CG 3.63Å; F114-Y132 HydrophobicContact CD1-CG 4.25Å; F114-Y132 AromaticContact CD2-CD2 3.13Å; F114-Y132 HydrophobicContact CD2-CD2 3.13Å; F114-Y132 AromaticContact CD2-CE2 3.86Å; F114-Y132 HydrophobicContact CD2-CE2 3.86Å; F114-Y132 AromaticContact CD2-CG 3.51Å; F114-Y132 HydrophobicContact CD2-CG 3.51Å; F114-Y132 AromaticContact CE2-CD2 3.95Å; F114-Y132 HydrophobicContact CE2-CD2 3.95Å; F114-Y132 HydrophobicContact CE2-CG 4.22Å; F114-Y132 HydrophobicContact CG-CD1 4.14Å; F114-Y132 AromaticContact CG-CD2 3.53Å; F114-Y132 HydrophobicContact CG-CD2 3.53Å; F114-Y132 HydrophobicContact CG-CE2 4.13Å; F114-Y132 AromaticContact CG-CG 3.49Å; F114-Y132 HydrophobicContact CG-CG 3.49Å; F114-Y132 VanDerWaalsContact CG-CG 3.49Å; A128-Y132 WeakPolarHBondContact O-CB 3.47Å; A128-Y132 PolarHBondContact O-N 3.18Å; A128-Y132 VanDerWaalsContact O-N 3.11Å; P129-Y132 PolarHBondContact O-N 2.67Å; H130-Y132 PolarHBondContact O-N 3.2Å; Y132-E135 PolarHBondContact O-N 2.84Å; Y132-C136 VanDerWaalsContact CE1-SG 3.56Å; Y132-C136 PolarHBondContact O-N 3.09Å; Y132-C136 PolarHBondContact O-SG 2.91Å; Y132-W186 AromaticContact CD2-CH2 3.94Å; Y132-W186 HydrophobicContact CD2-CH2 3.94Å; Y132-W186 AromaticContact CD2-CZ3 3.61Å; Y132-W186 HydrophobicContact CD2-CZ3 3.61Å; Y132-W186 HydrophobicContact CE2-CZ3 4.13Å
133	H	71.5	Confident	72.8	Confident	63 Å²	63	58.2 Å²	58.2	29%	0.292	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-45.9	172.9	-179	43.9	0	0	0	111.8	Y107 P129 H130 E135 C136 L137	Y107-H133 AromaticContact CD2-ND1 3.72Å; Y107-H133 HydrophobicContact CE2-CB 4.01Å; Y107-H133 AromaticContact CE2-CE1 3.92Å; Y107-H133 AromaticContact CE2-CG 3.7Å; Y107-H133 AromaticContact CE2-ND1 3.28Å; Y107-H133 VanDerWaalsContact CE2-ND1 3.28Å; Y107-H133 WeakPolarHBondContact CE2-ND1 3.12Å; P129-H133 WeakPolarHBondContact O-CB 3.03Å; P129-H133 PolarHBondContact O-N 2.96Å; H130-H133 WeakPolarHBondContact O-CB 3.49Å; H130-H133 PolarHBondContact O-N 3.37Å; H130-H133 VanDerWaalsContact O-N 3.13Å; H133-E135 VanDerWaalsContact C-N 3.3Å; H133-E135 PolarHBondContact O-N 3.42Å; H133-C136 WeakPolarHBondContact O-CB 3.27Å; H133-C136 PolarHBondContact O-N 3.01Å; H133-L137 WeakPolarHBondContact O-CG 3.21Å; H133-L137 PolarHBondContact O-N 3.33Å
134	E	75.9	Confident	74.2	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-42.5	175.3	-71.5	175.7	170.7	0	0	111.7	H130 I131 L137 R138	H130-E134 WeakPolarHBondContact O-CG 3.44Å; H130-E134 PolarHBondContact O-N 3.46Å; I131-E134 PolarHBondContact O-N 3.37Å; E134-L137 PolarHBondContact O-N 2.91Å; E134-R138 WeakPolarHBondContact O-CB 3.33Å; E134-R138 PolarHBondContact O-N 3.49Å
135	E	76.9	Confident	75.6	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-40.1	176.9	-175.5	65.6	-178.8	0	0	112.1	L51 I131 Y132 H133 R138 L139 W186	L51-E135 HydrophobicContact CD2-CB 4.28Å; L51-E135 HydrophobicContact CD2-CG 3.54Å; I131-E135 PolarHBondContact O-N 3.12Å; Y132-E135 PolarHBondContact O-N 2.84Å; H133-E135 VanDerWaalsContact C-N 3.3Å; H133-E135 PolarHBondContact O-N 3.42Å; E135-R138 PolarHBondContact O-N 2.95Å; E135-R138 IonicContact OE1-CZ 3.3Å; E135-R138 IonicContact OE1-NE 3.78Å; E135-R138 PolarHBondContact OE1-NE 2.98Å; E135-R138 IonicContact OE1-NH2 2.94Å; E135-R138 PolarHBondContact OE1-NH2 3.25Å; E135-R138 IonicContact OE2-CZ 3.42Å; E135-R138 IonicContact OE2-NE 2.74Å; E135-R138 PolarHBondContact OE2-NE 2.94Å; E135-R138 IonicContact OE2-NH2 2.68Å; E135-L139 HydrophobicContact CG-CD1 4.09Å; E135-L139 WeakPolarHBondContact O-CB 3.4Å; E135-L139 WeakPolarHBondContact O-CG 3.28Å; E135-L139 PolarHBondContact O-N 2.82Å; E135-W186 HydrophobicContact CB-CZ2 4.13Å; E135-W186 HydrophobicContact CG-CD2 3.87Å; E135-W186 HydrophobicContact CG-CE3 4.42Å; E135-W186 HydrophobicContact CG-CG 4.05Å; E135-W186 HydrophobicContact CG-CZ2 4.14Å
136	C	74.6	Confident	77.2	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-45.4	173.1	-76	0	0	0	0	111.8	M55 Y132 H133 R138 L139 E140	M55-C136 WeakPolarHBondContact CE-O 3.13Å; M55-C136 VanDerWaalsContact SD-CA 3.55Å; M55-C136 HydrophobicContact SD-CB 3.78Å; Y132-C136 VanDerWaalsContact CE1-SG 3.56Å; Y132-C136 PolarHBondContact O-N 3.09Å; Y132-C136 PolarHBondContact O-SG 2.91Å; H133-C136 WeakPolarHBondContact O-CB 3.27Å; H133-C136 PolarHBondContact O-N 3.01Å; C136-R138 VanDerWaalsContact C-N 3.31Å; C136-R138 PolarHBondContact O-N 3.26Å; C136-L139 PolarHBondContact O-N 2.87Å; C136-E140 WeakPolarHBondContact O-CB 3.49Å; C136-E140 PolarHBondContact O-N 3.49Å
137	L	78	Confident	78.1	Confident	84 Å²	84	45.1 Å²	45.1	44%	0.44	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-39.7	177.3	-69.8	175.2	0	0	0	111.6	H133 E134 E140 K141	H133-L137 WeakPolarHBondContact O-CG 3.21Å; H133-L137 PolarHBondContact O-N 3.33Å; E134-L137 PolarHBondContact O-N 2.91Å; L137-E140 PolarHBondContact O-N 3.06Å; L137-K141 WeakPolarHBondContact O-CB 3.48Å; L137-K141 PolarHBondContact O-N 2.97Å
138	R	84.6	Confident	78.9	Confident	43 Å²	43	41.7 Å²	41.7	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-46.7	176.6	-169.5	-165.8	66	71.3	-13.1	111.5	E134 E135 C136 K141 L142 D177	E134-R138 WeakPolarHBondContact O-CB 3.33Å; E134-R138 PolarHBondContact O-N 3.49Å; E135-R138 PolarHBondContact O-N 2.95Å; E135-R138 IonicContact OE1-CZ 3.3Å; E135-R138 IonicContact OE1-NE 3.78Å; E135-R138 PolarHBondContact OE1-NE 2.98Å; E135-R138 IonicContact OE1-NH2 2.94Å; E135-R138 PolarHBondContact OE1-NH2 3.25Å; E135-R138 IonicContact OE2-CZ 3.42Å; E135-R138 IonicContact OE2-NE 2.74Å; E135-R138 PolarHBondContact OE2-NE 2.94Å; E135-R138 IonicContact OE2-NH2 2.68Å; C136-R138 VanDerWaalsContact C-N 3.31Å; C136-R138 PolarHBondContact O-N 3.26Å; R138-K141 PolarHBondContact O-N 2.83Å; R138-L142 PolarHBondContact O-N 2.87Å; R138-D177 IonicContact CZ-OD1 2.74Å; R138-D177 VanDerWaalsContact CZ-OD1 3.3Å; R138-D177 VanDerWaalsContact NH1-CB 3.28Å; R138-D177 IonicContact NH1-OD1 2.84Å; R138-D177 PolarHBondContact NH1-OD1 3.01Å; R138-D177 IonicContact NH2-OD1 3.79Å; R138-D177 PolarHBondContact NH2-OD1 3.04Å
139	L	82.1	Confident	80.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-38.7	178.3	-71.5	168.7	0	0	0	111.8	L51 V52 M55 E135 C136 K141 L142 Y143	L51-L139 HydrophobicContact CD2-CD1 4.02Å; L51-L139 HydrophobicContact CG-CD1 3.85Å; V52-L139 HydrophobicContact CG2-CD1 4.32Å; V52-L139 HydrophobicContact CG2-CD2 4.25Å; M55-L139 HydrophobicContact CB-CB 3.81Å; M55-L139 HydrophobicContact CB-CD1 4.25Å; M55-L139 HydrophobicContact CE-CB 4.17Å; M55-L139 HydrophobicContact CG-CB 3.63Å; M55-L139 HydrophobicContact CG-CD1 3.64Å; M55-L139 HydrophobicContact CG-CG 4.26Å; M55-L139 HydrophobicContact SD-CB 3.98Å; E135-L139 HydrophobicContact CG-CD1 4.09Å; E135-L139 WeakPolarHBondContact O-CB 3.4Å; E135-L139 WeakPolarHBondContact O-CG 3.28Å; E135-L139 PolarHBondContact O-N 2.82Å; C136-L139 PolarHBondContact O-N 2.87Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.34Å; L139-L142 HydrophobicContact CD2-CD2 4.36Å; L139-L142 PolarHBondContact O-N 2.88Å; L139-Y143 HydrophobicContact CD2-CE2 4.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.15Å; L139-Y143 PolarHBondContact O-N 3.39Å
140	E	79.3	Confident	81.3	Confident	47 Å²	47	45.3 Å²	45.3	22%	0.22	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-50.3	172.4	-177.4	178	171.9	0	0	109.7	M55 K103 C136 L137 L142 Y143 F144	M55-E140 HydrophobicContact CE-CB 3.91Å; K103-E140 WeakPolarHBondContact CE-OE1 3.34Å; K103-E140 IonicContact NZ-OE1 2.68Å; K103-E140 PolarHBondContact NZ-OE1 3.36Å; C136-E140 WeakPolarHBondContact O-CB 3.49Å; C136-E140 PolarHBondContact O-N 3.49Å; L137-E140 PolarHBondContact O-N 3.06Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 3.04Å; E140-Y143 PolarHBondContact O-N 3.17Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 3.46Å
141	K	85.3	Confident	82	Confident	82 Å²	82	40 Å²	40	36%	0.357	18%	0.183	S	C	.	.	H	α-helix	trans	-57.5	-45.8	176.3	-174.7	177.4	179.3	172.7	0	111.8	L137 R138 L139 T145 E169 A173	L137-K141 WeakPolarHBondContact O-CB 3.48Å; L137-K141 PolarHBondContact O-N 2.97Å; R138-K141 PolarHBondContact O-N 2.83Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.34Å; K141-T145 HydrophobicContact CG-CG2 4.21Å; K141-T145 WeakPolarHBondContact O-CB 3.36Å; K141-T145 VanDerWaalsContact O-CG2 3.24Å; K141-T145 WeakPolarHBondContact O-CG2 3.14Å; K141-T145 PolarHBondContact O-N 3.22Å; K141-T145 PolarHBondContact O-OG1 2.68Å; K141-E169 WeakPolarHBondContact CE-OE2 3.43Å; K141-E169 IonicContact NZ-OE2 3.57Å; K141-E169 PolarHBondContact NZ-OE2 3.3Å; K141-A173 HydrophobicContact CD-CB 4.49Å; K141-A173 HydrophobicContact CG-CB 4.17Å
142	L	88.5	Confident	82.7	Confident	19 Å²	19	39 Å²	39	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-50.2	-179.2	178.3	68.5	0	0	0	112.7	R138 L139 E140 T145 K146 Y170 A173 K174 D177	R138-L142 PolarHBondContact O-N 2.87Å; L139-L142 HydrophobicContact CD2-CD2 4.36Å; L139-L142 PolarHBondContact O-N 2.88Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 3.04Å; L142-T145 PolarHBondContact O-OG1 3.49Å; L142-K146 VanDerWaalsContact O-CB 3.25Å; L142-K146 WeakPolarHBondContact O-CB 3.48Å; L142-K146 PolarHBondContact O-N 3.06Å; L142-K146 VanDerWaalsContact O-N 3.1Å; L142-Y170 HydrophobicContact CD1-CD2 4.34Å; L142-Y170 HydrophobicContact CD1-CE2 3.94Å; L142-A173 HydrophobicContact CB-CB 4.19Å; L142-A173 HydrophobicContact CD1-CB 3.96Å; L142-K174 HydrophobicContact CD1-CG 4.03Å; L142-D177 HydrophobicContact CD2-CB 3.95Å
143	Y	86.1	Confident	83.6	Confident	54 Å²	54	42.2 Å²	42.2	21%	0.212	20%	0.201	C	C	.	.	H	α-helix	trans	-71	-38.2	-177.6	-76	-68.2	0	0	0	111.8	V52 M55 G56 E59 L139 E140 W147	V52-Y143 WeakPolarHBondContact CG1-OH 3.46Å; V52-Y143 PolarHBondContact O-OH 3.35Å; V52-Y143 VanDerWaalsContact O-OH 3.1Å; M55-Y143 HydrophobicContact CB-CD2 4.08Å; M55-Y143 HydrophobicContact CB-CE2 3.89Å; G56-Y143 VanDerWaalsContact CA-CE2 3.48Å; G56-Y143 VanDerWaalsContact N-CE2 3.34Å; E59-Y143 HydrophobicContact CB-CG 4.44Å; L139-Y143 HydrophobicContact CD2-CE2 4.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.15Å; L139-Y143 PolarHBondContact O-N 3.39Å; E140-Y143 PolarHBondContact O-N 3.17Å; Y143-W147 PolarHBondContact O-N 3.47Å
144	F	84.3	Confident	84.3	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-51.2	178	179.3	-103.1	0	0	0	111.7	A81 M82 E140 K146 W147 A148 Y166	A81-F144 HydrophobicContact CB-CE1 4.15Å; A81-F144 HydrophobicContact CB-CE2 3.63Å; A81-F144 HydrophobicContact CB-CZ 3.4Å; M82-F144 HydrophobicContact CG-CD1 3.72Å; M82-F144 HydrophobicContact CG-CE1 3.45Å; M82-F144 VanDerWaalsContact CG-CE1 3.45Å; M82-F144 HydrophobicContact SD-CD1 3.69Å; M82-F144 HydrophobicContact SD-CE1 3.58Å; M82-F144 VanDerWaalsContact SD-CE1 3.58Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 3.46Å; F144-K146 VanDerWaalsContact C-N 3.33Å; F144-K146 PolarHBondContact O-N 2.82Å; F144-W147 HydrophobicContact CD2-CE3 4.18Å; F144-W147 HydrophobicContact CD2-CZ3 4.44Å; F144-W147 AromaticContact CE2-CE3 3.95Å; F144-W147 HydrophobicContact CE2-CE3 3.95Å; F144-W147 AromaticContact CE2-CZ3 3.79Å; F144-W147 HydrophobicContact CE2-CZ3 3.79Å; F144-W147 HydrophobicContact CZ-CZ3 4.43Å; F144-W147 PolarHBondContact O-N 3.01Å; F144-W147 VanDerWaalsContact O-N 3.15Å; F144-A148 HydrophobicContact CE1-CB 4.49Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 3.09Å; F144-Y166 AromaticContact CE1-CE1 3.84Å; F144-Y166 HydrophobicContact CE1-CE1 3.84Å
145	T	88.8	Confident	84.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-40.9	-180	52.2	0	0	0	0	111.4	M82 K141 L142 W147 A148 V149 E169 Y170	M82-T145 HydrophobicContact CE-CG2 4.43Å; M82-T145 HydrophobicContact SD-CG2 3.98Å; K141-T145 HydrophobicContact CG-CG2 4.21Å; K141-T145 WeakPolarHBondContact O-CB 3.36Å; K141-T145 VanDerWaalsContact O-CG2 3.24Å; K141-T145 WeakPolarHBondContact O-CG2 3.14Å; K141-T145 PolarHBondContact O-N 3.22Å; K141-T145 PolarHBondContact O-OG1 2.68Å; L142-T145 PolarHBondContact O-OG1 3.49Å; T145-W147 VanDerWaalsContact C-N 3.31Å; T145-W147 PolarHBondContact O-N 3.42Å; T145-A148 PolarHBondContact O-N 3.48Å; T145-V149 WeakPolarHBondContact O-CG2 3.28Å; T145-V149 PolarHBondContact O-N 3.13Å; T145-E169 HydrophobicContact CG2-CB 3.77Å; T145-Y170 WeakPolarHBondContact OG1-CD2 3.12Å
146	K	90.9	Very high	83.8	Confident	110 Å²	110	47.4 Å²	47.4	48%	0.478	24%	0.244	S	C	.	.	H	α-helix	trans	-54.8	-46.9	172.7	-175	176.6	-177	-179.5	0	112.2	L142 F144 H150 Y170	L142-K146 VanDerWaalsContact O-CB 3.25Å; L142-K146 WeakPolarHBondContact O-CB 3.48Å; L142-K146 PolarHBondContact O-N 3.06Å; L142-K146 VanDerWaalsContact O-N 3.1Å; F144-K146 VanDerWaalsContact C-N 3.33Å; F144-K146 PolarHBondContact O-N 2.82Å; K146-H150 WeakPolarHBondContact O-CB 3.41Å; K146-H150 PolarHBondContact O-N 3.12Å; K146-Y170 HydrophobicContact CB-CD2 3.94Å; K146-Y170 HydrophobicContact CB-CE2 3.44Å; K146-Y170 VanDerWaalsContact CB-CE2 3.44Å; K146-Y170 HydrophobicContact CD-CE2 4.35Å; K146-Y170 HydrophobicContact CG-CE1 4.49Å; K146-Y170 HydrophobicContact CG-CE2 3.88Å
147	W	86.7	Confident	83.4	Confident	25 Å²	25	51.6 Å²	51.6	10%	0.095	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-44.5	178.7	168.5	77.1	0	0	0	112.1	I63 L66 I78 Y143 F144 T145 V149 H150 Y151	I63-W147 HydrophobicContact CB-CG 4.5Å; I63-W147 HydrophobicContact CD1-CB 3.38Å; I63-W147 HydrophobicContact CD1-CD2 3.89Å; I63-W147 HydrophobicContact CD1-CG 3.29Å; I63-W147 HydrophobicContact CG1-CB 4.19Å; I63-W147 HydrophobicContact CG1-CD2 3.67Å; I63-W147 HydrophobicContact CG1-CE3 4.17Å; I63-W147 HydrophobicContact CG1-CG 3.63Å; I63-W147 VanDerWaalsContact CG2-CD1 3.46Å; I63-W147 HydrophobicContact CG2-CD2 4.17Å; I63-W147 HydrophobicContact CG2-CG 4.07Å; I63-W147 HydrophobicContact CG2-CZ2 4.22Å; L66-W147 HydrophobicContact CD1-CH2 3.9Å; L66-W147 HydrophobicContact CD1-CZ3 4.09Å; I78-W147 HydrophobicContact CD1-CH2 3.72Å; I78-W147 HydrophobicContact CD1-CZ2 4.5Å; I78-W147 HydrophobicContact CD1-CZ3 3.99Å; I78-W147 HydrophobicContact CG1-CH2 3.5Å; I78-W147 VanDerWaalsContact CG1-CH2 3.5Å; I78-W147 HydrophobicContact CG1-CZ3 3.43Å; I78-W147 VanDerWaalsContact CG1-CZ3 3.43Å; Y143-W147 PolarHBondContact O-N 3.47Å; F144-W147 HydrophobicContact CD2-CE3 4.18Å; F144-W147 HydrophobicContact CD2-CZ3 4.44Å; F144-W147 AromaticContact CE2-CE3 3.95Å; F144-W147 HydrophobicContact CE2-CE3 3.95Å; F144-W147 AromaticContact CE2-CZ3 3.79Å; F144-W147 HydrophobicContact CE2-CZ3 3.79Å; F144-W147 HydrophobicContact CZ-CZ3 4.43Å; F144-W147 PolarHBondContact O-N 3.01Å; F144-W147 VanDerWaalsContact O-N 3.15Å; T145-W147 VanDerWaalsContact C-N 3.31Å; T145-W147 PolarHBondContact O-N 3.42Å; W147-V149 VanDerWaalsContact C-N 3.32Å; W147-V149 PolarHBondContact O-N 3.25Å; W147-H150 CarbonylContact O-C 3.58Å; W147-H150 PolarHBondContact O-N 3.35Å; W147-H150 VanDerWaalsContact O-N 3.12Å; W147-Y151 AromaticContact CZ2-CD2 3.92Å; W147-Y151 HydrophobicContact CZ2-CD2 3.92Å; W147-Y151 HydrophobicContact CZ2-CG 4.02Å; W147-Y151 WeakPolarHBondContact O-CB 3.43Å; W147-Y151 PolarHBondContact O-N 3.4Å
148	A	86	Confident	83	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-46.7	-179.8	0	0	0	0	0	110.9	I78 F144 T145 H150 Y151 L152 Y166	I78-A148 HydrophobicContact CG2-CB 4.16Å; F144-A148 HydrophobicContact CE1-CB 4.49Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 3.09Å; T145-A148 PolarHBondContact O-N 3.48Å; A148-H150 PolarHBondContact O-N 2.94Å; A148-Y151 PolarHBondContact O-N 3.06Å; A148-L152 VanDerWaalsContact O-CB 3.3Å; A148-L152 WeakPolarHBondContact O-CB 3.09Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.14Å; A148-L152 PolarHBondContact O-N 2.65Å; A148-Y166 HydrophobicContact CB-CD1 3.5Å; A148-Y166 HydrophobicContact CB-CD2 4.44Å; A148-Y166 HydrophobicContact CB-CE1 3.84Å; A148-Y166 HydrophobicContact CB-CG 3.86Å
149	V	89.8	Confident	82.7	Confident	22 Å²	22	51.2 Å²	51.2	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-51.5	173.4	172.7	0	0	0	0	110.8	T145 W147 Y151 L152 S153 L163 Y166 E167 Y170	T145-V149 WeakPolarHBondContact O-CG2 3.28Å; T145-V149 PolarHBondContact O-N 3.13Å; W147-V149 VanDerWaalsContact C-N 3.32Å; W147-V149 PolarHBondContact O-N 3.25Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3.41Å; V149-L152 PolarHBondContact O-N 2.95Å; V149-S153 VanDerWaalsContact O-CB 3.24Å; V149-S153 WeakPolarHBondContact O-CB 3.41Å; V149-S153 PolarHBondContact O-N 3.27Å; V149-S153 PolarHBondContact O-OG 3.32Å; V149-L163 HydrophobicContact CG1-CD1 4.46Å; V149-Y166 VanDerWaalsContact CG2-C 3.5Å; V149-Y166 WeakPolarHBondContact CG2-O 3.05Å; V149-E167 HydrophobicContact CG1-CG 4.03Å; V149-E167 HydrophobicContact CG2-CG 4.05Å; V149-Y170 HydrophobicContact CG2-CD1 4.4Å; V149-Y170 HydrophobicContact CG2-CG 4.46Å
150	H	88.6	Confident	82.9	Confident	94 Å²	94	57 Å²	57	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-36.5	-179.9	170	-85	0	0	0	113.2	K146 W147 A148 S153 K154	K146-H150 WeakPolarHBondContact O-CB 3.41Å; K146-H150 PolarHBondContact O-N 3.12Å; W147-H150 CarbonylContact O-C 3.58Å; W147-H150 PolarHBondContact O-N 3.35Å; W147-H150 VanDerWaalsContact O-N 3.12Å; A148-H150 PolarHBondContact O-N 2.94Å; H150-S153 PolarHBondContact O-OG 2.89Å; H150-S153 VanDerWaalsContact O-OG 3.07Å; H150-K154 PolarHBondContact CE1-NZ 3.26Å; H150-K154 VanDerWaalsContact NE2-CE 3.27Å; H150-K154 WeakPolarHBondContact NE2-CE 3.43Å; H150-K154 PolarHBondContact NE2-NZ 3.25Å; H150-K154 WeakPolarHBondContact O-CG 3.46Å; H150-K154 PolarHBondContact O-N 2.95Å
151	Y	84.4	Confident	83.3	Confident	23 Å²	23	59.5 Å²	59.5	9%	0.09	33%	0.331	C	S	.	.	H	α-helix	trans	-70.7	-51.5	178.5	178.6	-92	0	0	0	110.8	Q74 I75 I78 W147 A148 V149 S153 K154 N155	Q74-Y151 VanDerWaalsContact CB-OH 3.31Å; Q74-Y151 WeakPolarHBondContact CB-OH 3.22Å; Q74-Y151 PolarHBondContact OE1-OH 3.33Å; I75-Y151 HydrophobicContact CG1-CE1 4.37Å; I78-Y151 HydrophobicContact CD1-CD1 3.13Å; I78-Y151 HydrophobicContact CD1-CE1 3.41Å; I78-Y151 VanDerWaalsContact CD1-CE1 3.41Å; I78-Y151 HydrophobicContact CD1-CG 3.95Å; W147-Y151 AromaticContact CZ2-CD2 3.92Å; W147-Y151 HydrophobicContact CZ2-CD2 3.92Å; W147-Y151 HydrophobicContact CZ2-CG 4.02Å; W147-Y151 WeakPolarHBondContact O-CB 3.43Å; W147-Y151 PolarHBondContact O-N 3.4Å; A148-Y151 PolarHBondContact O-N 3.06Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3.41Å; Y151-S153 VanDerWaalsContact C-N 3.35Å; Y151-S153 PolarHBondContact O-N 2.9Å; Y151-K154 PolarHBondContact O-N 3.02Å; Y151-N155 WeakPolarHBondContact CD1-ND2 3.21Å; Y151-N155 WeakPolarHBondContact CE1-ND2 3.45Å; Y151-N155 PolarHBondContact O-N 2.95Å; Y151-N155 PolarHBondContact O-ND2 2.88Å
152	L	85.7	Confident	83.3	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-41	179.4	-69	173.4	0	0	0	111	I78 A148 V149 K154 N155 T158 L162 L163 Y166	I78-L152 HydrophobicContact CD1-CD2 4.47Å; I78-L152 HydrophobicContact CG2-CD1 4.43Å; A148-L152 VanDerWaalsContact O-CB 3.3Å; A148-L152 WeakPolarHBondContact O-CB 3.09Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.14Å; A148-L152 PolarHBondContact O-N 2.65Å; V149-L152 PolarHBondContact O-N 2.95Å; L152-K154 PolarHBondContact O-N 3.43Å; L152-K154 VanDerWaalsContact O-N 3.14Å; L152-N155 PolarHBondContact O-N 3.11Å; L152-T158 HydrophobicContact CB-CG2 3.77Å; L152-T158 HydrophobicContact CD2-CG2 4.12Å; L152-T158 HydrophobicContact CG-CG2 4.47Å; L152-T158 WeakPolarHBondContact O-CB 3.15Å; L152-T158 WeakPolarHBondContact O-CG2 3.44Å; L152-T158 PolarHBondContact O-OG1 3.49Å; L152-L162 HydrophobicContact CD1-CD2 4.32Å; L152-L162 HydrophobicContact CD1-CG 4.12Å; L152-L162 HydrophobicContact CD2-CD2 4.1Å; L152-L163 HydrophobicContact CB-CB 4.45Å; L152-L163 HydrophobicContact CB-CD1 3.78Å; L152-Y166 HydrophobicContact CD1-CD2 3.34Å; L152-Y166 HydrophobicContact CD1-CE2 3.96Å; L152-Y166 HydrophobicContact CD1-CG 4.08Å
153	S	88.2	Confident	83.3	Confident	72 Å²	72	57.7 Å²	57.7	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-22.5	177.7	72.7	0	0	0	0	113.7	V149 H150 Y151	V149-S153 VanDerWaalsContact O-CB 3.24Å; V149-S153 WeakPolarHBondContact O-CB 3.41Å; V149-S153 PolarHBondContact O-N 3.27Å; V149-S153 PolarHBondContact O-OG 3.32Å; H150-S153 PolarHBondContact O-OG 2.89Å; H150-S153 VanDerWaalsContact O-OG 3.07Å; Y151-S153 VanDerWaalsContact C-N 3.35Å; Y151-S153 PolarHBondContact O-N 2.9Å
154	K	86.2	Confident	83.6	Confident	151 Å²	151	60 Å²	60	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-95.1	-15.6	179.9	-77.7	-174	170.5	178	0	114	H150 Y151 L152	H150-K154 PolarHBondContact CE1-NZ 3.26Å; H150-K154 VanDerWaalsContact NE2-CE 3.27Å; H150-K154 WeakPolarHBondContact NE2-CE 3.43Å; H150-K154 PolarHBondContact NE2-NZ 3.25Å; H150-K154 WeakPolarHBondContact O-CG 3.46Å; H150-K154 PolarHBondContact O-N 2.95Å; Y151-K154 PolarHBondContact O-N 3.02Å; L152-K154 PolarHBondContact O-N 3.43Å; L152-K154 VanDerWaalsContact O-N 3.14Å
155	N	79.1	Confident	83.8	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.193	36%	0.358	C	S	.	.			trans	-86	130.7	178.5	-76.9	-57.3	0	0	0	110.6	Y151 L152 A157 T158	Y151-N155 WeakPolarHBondContact CD1-ND2 3.21Å; Y151-N155 WeakPolarHBondContact CE1-ND2 3.45Å; Y151-N155 PolarHBondContact O-N 2.95Å; Y151-N155 PolarHBondContact O-ND2 2.88Å; L152-N155 PolarHBondContact O-N 3.11Å; N155-A157 VanDerWaalsContact C-N 3.28Å; N155-A157 PolarHBondContact O-N 3.43Å; N155-T158 WeakPolarHBondContact CB-OG1 3.29Å; N155-T158 PolarHBondContact O-OG1 3.12Å
156	A	63.2	Low	83.9	Confident	117 Å²	117	63.4 Å²	63.4	97%	0.967	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20	-175.1	0	0	0	0	0	114
157	A	66.3	Low	84	Confident	96 Å²	96	62.1 Å²	62.1	79%	0.793	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	33.7	-178.4	0	0	0	0	0	112.2	N155	N155-A157 VanDerWaalsContact C-N 3.28Å; N155-A157 PolarHBondContact O-N 3.43Å
158	T	69.1	Low	84.4	Confident	27 Å²	27	66.3 Å²	66.3	17%	0.166	38%	0.38	C	S	.	.			trans	-76.7	127.2	-175.3	-68.2	0	0	0	0	111.2	L152 N155 I160 L163	L152-T158 HydrophobicContact CB-CG2 3.77Å; L152-T158 HydrophobicContact CD2-CG2 4.12Å; L152-T158 HydrophobicContact CG-CG2 4.47Å; L152-T158 WeakPolarHBondContact O-CB 3.15Å; L152-T158 WeakPolarHBondContact O-CG2 3.44Å; L152-T158 PolarHBondContact O-OG1 3.49Å; N155-T158 WeakPolarHBondContact CB-OG1 3.29Å; N155-T158 PolarHBondContact O-OG1 3.12Å; T158-I160 PolarHBondContact O-N 3.41Å; T158-I160 VanDerWaalsContact O-N 3.12Å; T158-L163 HydrophobicContact CG2-CB 3.82Å; T158-L163 HydrophobicContact CG2-CD2 4.36Å
159	D	78.5	Confident	84.7	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	39%	0.393	S	S	.	.			trans	-60.6	111.8	166.3	-175.9	-25.2	0	0	0	108.8	T161 L162 L163	D159-T161 PolarHBondContact O-N 2.86Å; D159-T161 WeakPolarHBondContact OD1-CA 3.45Å; D159-T161 WeakPolarHBondContact OD1-CB 3.18Å; D159-T161 PolarHBondContact OD1-N 3.26Å; D159-T161 PolarHBondContact OD1-OG1 3.36Å; D159-L162 HydrophobicContact CB-CB 3.82Å; D159-L162 WeakPolarHBondContact O-CB 3.38Å; D159-L162 PolarHBondContact O-N 3.36Å; D159-L162 VanDerWaalsContact O-N 3.08Å; D159-L162 PolarHBondContact OD1-N 3.1Å; D159-L163 PolarHBondContact O-N 2.92Å
160	I	86.4	Confident	84.9	Confident	120 Å²	120	70.3 Å²	70.3	62%	0.615	40%	0.396	S	S	*	.	H	α-helix	trans	-57.4	-36.9	-178	-63.7	173.1	0	0	0	110.5	T158 L163 Q164	T158-I160 PolarHBondContact O-N 3.41Å; T158-I160 VanDerWaalsContact O-N 3.12Å; I160-L163 PolarHBondContact O-N 3Å; I160-Q164 HydrophobicContact CG2-CG 4.47Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 VanDerWaalsContact O-CG 3.31Å; I160-Q164 WeakPolarHBondContact O-CG 3.32Å; I160-Q164 PolarHBondContact O-N 3.31Å
161	T	87.5	Confident	85.2	Confident	101 Å²	101	69.8 Å²	69.8	62%	0.62	39%	0.393	S	S	*	.	H	α-helix	trans	-65	-43.3	178.5	-41.4	0	0	0	0	110.5	D159 Q164 S165	D159-T161 PolarHBondContact O-N 2.86Å; D159-T161 WeakPolarHBondContact OD1-CA 3.45Å; D159-T161 WeakPolarHBondContact OD1-CB 3.18Å; D159-T161 PolarHBondContact OD1-N 3.26Å; D159-T161 PolarHBondContact OD1-OG1 3.36Å; T161-Q164 PolarHBondContact O-N 2.9Å; T161-S165 PolarHBondContact O-N 3.37Å
162	L	85.4	Confident	85.6	Confident	32 Å²	32	73.4 Å²	73.4	17%	0.168	41%	0.411	C	S	.	.	H	α-helix	trans	-64.3	-45.8	177.7	-171.6	64.6	0	0	0	111.1	I75 I79 L152 D159 Q164 S165 Y166	I75-L162 HydrophobicContact CG2-CD2 4.31Å; I79-L162 HydrophobicContact CD1-CD2 4.12Å; I79-L162 HydrophobicContact CG1-CD1 3.97Å; I79-L162 HydrophobicContact CG1-CD2 3.93Å; L152-L162 HydrophobicContact CD1-CD2 4.32Å; L152-L162 HydrophobicContact CD1-CG 4.12Å; L152-L162 HydrophobicContact CD2-CD2 4.1Å; D159-L162 HydrophobicContact CB-CB 3.82Å; D159-L162 WeakPolarHBondContact O-CB 3.38Å; D159-L162 PolarHBondContact O-N 3.36Å; D159-L162 VanDerWaalsContact O-N 3.08Å; D159-L162 PolarHBondContact OD1-N 3.1Å; L162-Q164 PolarHBondContact O-N 3.08Å; L162-S165 WeakPolarHBondContact O-CB 3.38Å; L162-S165 PolarHBondContact O-N 2.86Å; L162-Y166 HydrophobicContact CD1-CD2 4.15Å; L162-Y166 HydrophobicContact CD1-CE2 3.61Å; L162-Y166 HydrophobicContact CG-CD2 4.06Å; L162-Y166 HydrophobicContact CG-CE2 3.85Å; L162-Y166 VanDerWaalsContact O-CD2 3.25Å; L162-Y166 WeakPolarHBondContact O-CD2 3.38Å; L162-Y166 PolarHBondContact O-N 2.68Å; L162-Y166 VanDerWaalsContact O-N 3.1Å
163	L	89.2	Confident	85.9	Confident	30 Å²	30	73.6 Å²	73.6	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-58	-49.5	176.8	175.7	59.9	0	0	0	111.4	V149 L152 T158 D159 I160 S165 Y166 E167	V149-L163 HydrophobicContact CG1-CD1 4.46Å; L152-L163 HydrophobicContact CB-CB 4.45Å; L152-L163 HydrophobicContact CB-CD1 3.78Å; T158-L163 HydrophobicContact CG2-CB 3.82Å; T158-L163 HydrophobicContact CG2-CD2 4.36Å; D159-L163 PolarHBondContact O-N 2.92Å; I160-L163 PolarHBondContact O-N 3Å; L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 3.36Å; L163-Y166 PolarHBondContact O-N 3.37Å; L163-Y166 VanDerWaalsContact O-N 3.08Å; L163-E167 HydrophobicContact CD1-CG 4.17Å; L163-E167 HydrophobicContact CG-CG 4.42Å; L163-E167 WeakPolarHBondContact O-CG 3.42Å; L163-E167 PolarHBondContact O-N 3.07Å
164	Q	90.8	Very high	86.1	Confident	104 Å²	104	73 Å²	73	49%	0.486	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-39.4	177.9	-75	175.6	-17.3	0	0	112.2	I160 T161 L162 Y166 E167 N168	I160-Q164 HydrophobicContact CG2-CG 4.47Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 VanDerWaalsContact O-CG 3.31Å; I160-Q164 WeakPolarHBondContact O-CG 3.32Å; I160-Q164 PolarHBondContact O-N 3.31Å; T161-Q164 PolarHBondContact O-N 2.9Å; L162-Q164 PolarHBondContact O-N 3.08Å; Q164-Y166 PolarHBondContact O-N 2.99Å; Q164-E167 PolarHBondContact O-N 3.24Å; Q164-N168 VanDerWaalsContact O-CG 3.29Å; Q164-N168 PolarHBondContact O-N 3.14Å; Q164-N168 PolarHBondContact O-ND2 3.38Å
165	S	89.9	Confident	86.3	Confident	64 Å²	64	70.9 Å²	70.9	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-44.8	174.9	-169.8	0	0	0	0	111.8	T161 L162 L163 N168 E169	T161-S165 PolarHBondContact O-N 3.37Å; L162-S165 WeakPolarHBondContact O-CB 3.38Å; L162-S165 PolarHBondContact O-N 2.86Å; L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 3.36Å; S165-N168 PolarHBondContact O-N 3.36Å; S165-E169 WeakPolarHBondContact O-CG 3.38Å; S165-E169 PolarHBondContact O-N 3.01Å
166	Y	90	Very high	86.7	Confident	12 Å²	12	70.5 Å²	70.5	5%	0.047	40%	0.396	C	S	.	.	H	α-helix	trans	-71.4	-32.5	178.1	-80.6	-71.8	0	0	0	113.6	I78 I79 M82 F144 A148 V149 L152 L162 L163 Q164 N168 E169 Y170	I78-Y166 HydrophobicContact CG2-CD2 4.22Å; I78-Y166 HydrophobicContact CG2-CE1 4.1Å; I78-Y166 HydrophobicContact CG2-CE2 3.38Å; I78-Y166 VanDerWaalsContact CG2-OH 3.3Å; I78-Y166 WeakPolarHBondContact CG2-OH 3.31Å; I78-Y166 PolarHBondContact O-OH 2.94Å; I79-Y166 WeakPolarHBondContact CA-OH 3.46Å; I79-Y166 PolarHBondContact N-OH 2.86Å; M82-Y166 HydrophobicContact SD-CD1 4.16Å; M82-Y166 HydrophobicContact SD-CE1 3.52Å; M82-Y166 VanDerWaalsContact SD-CE1 3.52Å; F144-Y166 AromaticContact CE1-CE1 3.84Å; F144-Y166 HydrophobicContact CE1-CE1 3.84Å; A148-Y166 HydrophobicContact CB-CD1 3.5Å; A148-Y166 HydrophobicContact CB-CD2 4.44Å; A148-Y166 HydrophobicContact CB-CE1 3.84Å; A148-Y166 HydrophobicContact CB-CG 3.86Å; V149-Y166 VanDerWaalsContact CG2-C 3.5Å; V149-Y166 WeakPolarHBondContact CG2-O 3.05Å; L152-Y166 HydrophobicContact CD1-CD2 3.34Å; L152-Y166 HydrophobicContact CD1-CE2 3.96Å; L152-Y166 HydrophobicContact CD1-CG 4.08Å; L162-Y166 HydrophobicContact CD1-CD2 4.15Å; L162-Y166 HydrophobicContact CD1-CE2 3.61Å; L162-Y166 HydrophobicContact CG-CD2 4.06Å; L162-Y166 HydrophobicContact CG-CE2 3.85Å; L162-Y166 VanDerWaalsContact O-CD2 3.25Å; L162-Y166 WeakPolarHBondContact O-CD2 3.38Å; L162-Y166 PolarHBondContact O-N 2.68Å; L162-Y166 VanDerWaalsContact O-N 3.1Å; L163-Y166 PolarHBondContact O-N 3.37Å; L163-Y166 VanDerWaalsContact O-N 3.08Å; Q164-Y166 PolarHBondContact O-N 2.99Å; Y166-N168 VanDerWaalsContact C-N 3.35Å; Y166-E169 PolarHBondContact O-N 2.82Å; Y166-Y170 VanDerWaalsContact O-CB 3.27Å; Y166-Y170 WeakPolarHBondContact O-CB 3.24Å; Y166-Y170 PolarHBondContact O-N 3.05Å
167	E	93.5	Very high	87.8	Confident	83 Å²	83	68 Å²	68	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-44.7	173.2	-73.2	176.5	153.8	0	0	110.8	V149 L163 Q164 Y170 E171	V149-E167 HydrophobicContact CG1-CG 4.03Å; V149-E167 HydrophobicContact CG2-CG 4.05Å; L163-E167 HydrophobicContact CD1-CG 4.17Å; L163-E167 HydrophobicContact CG-CG 4.42Å; L163-E167 WeakPolarHBondContact O-CG 3.42Å; L163-E167 PolarHBondContact O-N 3.07Å; Q164-E167 PolarHBondContact O-N 3.24Å; E167-Y170 PolarHBondContact O-N 3.39Å; E167-E171 PolarHBondContact O-N 3.1Å
168	N	93.7	Very high	88.7	Confident	113 Å²	113	70.1 Å²	70.1	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-47.7	174.8	-69.5	-29.6	0	0	0	111.8	Q164 S165 Y166 Y170 E171 E172	Q164-N168 VanDerWaalsContact O-CG 3.29Å; Q164-N168 PolarHBondContact O-N 3.14Å; Q164-N168 PolarHBondContact O-ND2 3.38Å; S165-N168 PolarHBondContact O-N 3.36Å; Y166-N168 VanDerWaalsContact C-N 3.35Å; N168-Y170 VanDerWaalsContact C-N 3.29Å; N168-Y170 PolarHBondContact O-N 3.25Å; N168-E171 PolarHBondContact O-N 3.12Å; N168-E172 PolarHBondContact O-N 3.3Å
169	E	92.6	Very high	89.4	Confident	60 Å²	60	75.3 Å²	75.3	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-36.3	177.6	-75.1	-70.6	175.1	0	0	112.7	M82 K141 T145 S165 Y166 A173	M82-E169 HydrophobicContact CE-CB 4.23Å; M82-E169 HydrophobicContact CE-CG 3.81Å; K141-E169 WeakPolarHBondContact CE-OE2 3.43Å; K141-E169 IonicContact NZ-OE2 3.57Å; K141-E169 PolarHBondContact NZ-OE2 3.3Å; T145-E169 HydrophobicContact CG2-CB 3.77Å; S165-E169 WeakPolarHBondContact O-CG 3.38Å; S165-E169 PolarHBondContact O-N 3.01Å; Y166-E169 PolarHBondContact O-N 2.82Å; E169-A173 WeakPolarHBondContact O-CB 3.33Å; E169-A173 PolarHBondContact O-N 3.41Å
170	Y	94.1	Very high	89.4	Confident	47 Å²	47	71.9 Å²	71.9	18%	0.184	37%	0.369	C	S	.	.	H	α-helix	trans	-69	-42	176.1	-178.8	-136.1	0	0	0	112	L142 T145 K146 V149 Y166 E167 N168 E172 A173 K174	L142-Y170 HydrophobicContact CD1-CD2 4.34Å; L142-Y170 HydrophobicContact CD1-CE2 3.94Å; T145-Y170 WeakPolarHBondContact OG1-CD2 3.12Å; K146-Y170 HydrophobicContact CB-CD2 3.94Å; K146-Y170 HydrophobicContact CB-CE2 3.44Å; K146-Y170 VanDerWaalsContact CB-CE2 3.44Å; K146-Y170 HydrophobicContact CD-CE2 4.35Å; K146-Y170 HydrophobicContact CG-CE1 4.49Å; K146-Y170 HydrophobicContact CG-CE2 3.88Å; V149-Y170 HydrophobicContact CG2-CD1 4.4Å; V149-Y170 HydrophobicContact CG2-CG 4.46Å; Y166-Y170 VanDerWaalsContact O-CB 3.27Å; Y166-Y170 WeakPolarHBondContact O-CB 3.24Å; Y166-Y170 PolarHBondContact O-N 3.05Å; E167-Y170 PolarHBondContact O-N 3.39Å; N168-Y170 VanDerWaalsContact C-N 3.29Å; N168-Y170 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.86Å; Y170-A173 PolarHBondContact O-N 2.74Å; Y170-K174 HydrophobicContact CD1-CD 4.12Å; Y170-K174 HydrophobicContact CD2-CD 4.25Å; Y170-K174 HydrophobicContact CD2-CG 4.17Å; Y170-K174 HydrophobicContact CE1-CD 3.77Å; Y170-K174 HydrophobicContact CE2-CD 3.88Å; Y170-K174 HydrophobicContact CE2-CG 3.79Å; Y170-K174 HydrophobicContact CG-CD 4.36Å; Y170-K174 WeakPolarHBondContact O-CG 3.27Å; Y170-K174 PolarHBondContact O-N 3.01Å
171	E	95	Very high	88.8	Confident	83 Å²	83	69.1 Å²	69.1	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-38.8	174.8	-72.8	-54.4	138.3	0	0	112.1	E167 N168 K174 K175	E167-E171 PolarHBondContact O-N 3.1Å; N168-E171 PolarHBondContact O-N 3.12Å; E171-K174 PolarHBondContact O-N 2.9Å; E171-K174 IonicContact OE1-NZ 3.66Å; E171-K174 PolarHBondContact OE1-NZ 3.12Å; E171-K174 IonicContact OE2-NZ 2.72Å; E171-K174 PolarHBondContact OE2-NZ 2.93Å; E171-K175 WeakPolarHBondContact O-CG 3.1Å; E171-K175 PolarHBondContact O-N 3.37Å
172	E	93.3	Very high	87.9	Confident	99 Å²	99	74.6 Å²	74.6	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-43.1	171.9	-72.5	-53.3	122.5	0	0	112.1	N168 Y170 K174 K175 G176	N168-E172 PolarHBondContact O-N 3.3Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.86Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 2.78Å; E172-K175 WeakPolarHBondContact O-CB 3.37Å; E172-K175 PolarHBondContact O-N 3.41Å; E172-K175 IonicContact OE1-NZ 3.64Å; E172-K175 PolarHBondContact OE1-NZ 2.94Å; E172-G176 PolarHBondContact O-N 2.68Å
173	A	92	Very high	86.8	Confident	6 Å²	6	82.8 Å²	82.8	5%	0.05	39%	0.394	C	S	.	.	H	α-helix	trans	-63.2	-38.5	176.5	0	0	0	0	0	112.3	K141 L142 E169 Y170 G176 D177	K141-A173 HydrophobicContact CD-CB 4.49Å; K141-A173 HydrophobicContact CG-CB 4.17Å; L142-A173 HydrophobicContact CB-CB 4.19Å; L142-A173 HydrophobicContact CD1-CB 3.96Å; E169-A173 WeakPolarHBondContact O-CB 3.33Å; E169-A173 PolarHBondContact O-N 3.41Å; Y170-A173 PolarHBondContact O-N 2.74Å; A173-G176 PolarHBondContact O-N 3.24Å; A173-D177 PolarHBondContact O-N 3.26Å
174	K	92.3	Very high	85.6	Confident	60 Å²	60	84.7 Å²	84.7	26%	0.261	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-38.1	174.3	-75.9	168.6	67.7	-154.7	0	112.4	L142 Y170 E171 E172 D177 K178	L142-K174 HydrophobicContact CD1-CG 4.03Å; Y170-K174 HydrophobicContact CD1-CD 4.12Å; Y170-K174 HydrophobicContact CD2-CD 4.25Å; Y170-K174 HydrophobicContact CD2-CG 4.17Å; Y170-K174 HydrophobicContact CE1-CD 3.77Å; Y170-K174 HydrophobicContact CE2-CD 3.88Å; Y170-K174 HydrophobicContact CE2-CG 3.79Å; Y170-K174 HydrophobicContact CG-CD 4.36Å; Y170-K174 WeakPolarHBondContact O-CG 3.27Å; Y170-K174 PolarHBondContact O-N 3.01Å; E171-K174 PolarHBondContact O-N 2.9Å; E171-K174 IonicContact OE1-NZ 3.66Å; E171-K174 PolarHBondContact OE1-NZ 3.12Å; E171-K174 IonicContact OE2-NZ 2.72Å; E171-K174 PolarHBondContact OE2-NZ 2.93Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 2.78Å; K174-D177 PolarHBondContact O-N 3.43Å; K174-K178 WeakPolarHBondContact O-CG 3.38Å; K174-K178 PolarHBondContact O-N 2.68Å
175	K	91.4	Very high	84.3	Confident	107 Å²	107	80.1 Å²	80.1	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-45	173	-69.7	171.3	-170.9	170.7	0	110.6	E171 E172 D177 K178 N179	E171-K175 WeakPolarHBondContact O-CG 3.1Å; E171-K175 PolarHBondContact O-N 3.37Å; E172-K175 WeakPolarHBondContact O-CB 3.37Å; E172-K175 PolarHBondContact O-N 3.41Å; E172-K175 IonicContact OE1-NZ 3.64Å; E172-K175 PolarHBondContact OE1-NZ 2.94Å; K175-D177 VanDerWaalsContact C-N 3.3Å; K175-D177 PolarHBondContact O-N 3.33Å; K175-K178 PolarHBondContact O-N 3.47Å; K175-N179 WeakPolarHBondContact O-CB 3.36Å; K175-N179 PolarHBondContact O-N 3.39Å; K175-N179 VanDerWaalsContact O-N 3.12Å; K175-N179 PolarHBondContact O-ND2 2.78Å
176	G	86.2	Confident	83.3	Confident	27 Å²	27	77.8 Å²	77.8	28%	0.278	36%	0.359	S	S	.	.	H	α-helix	trans	-57.5	-41	174.6	0	0	0	0	0	112.9	E172 A173 N179 A180	E172-G176 PolarHBondContact O-N 2.68Å; A173-G176 PolarHBondContact O-N 3.24Å; G176-N179 PolarHBondContact O-N 2.8Å; G176-A180 PolarHBondContact O-N 2.84Å; G176-A180 VanDerWaalsContact O-N 3.12Å
177	D	86	Confident	82	Confident	65 Å²	65	79.9 Å²	79.9	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-42.7	177	-166.2	65.5	0	0	0	113.7	R138 L142 A173 K174 K175 N179 A180	R138-D177 IonicContact CZ-OD1 2.74Å; R138-D177 VanDerWaalsContact CZ-OD1 3.3Å; R138-D177 VanDerWaalsContact NH1-CB 3.28Å; R138-D177 IonicContact NH1-OD1 2.84Å; R138-D177 PolarHBondContact NH1-OD1 3.01Å; R138-D177 IonicContact NH2-OD1 3.79Å; R138-D177 PolarHBondContact NH2-OD1 3.04Å; L142-D177 HydrophobicContact CD2-CB 3.95Å; A173-D177 PolarHBondContact O-N 3.26Å; K174-D177 PolarHBondContact O-N 3.43Å; K175-D177 VanDerWaalsContact C-N 3.3Å; K175-D177 PolarHBondContact O-N 3.33Å; D177-N179 PolarHBondContact O-N 2.59Å; D177-A180 WeakPolarHBondContact O-CB 3.49Å; D177-A180 PolarHBondContact O-N 2.84Å
178	K	85.1	Confident	80.5	Confident	141 Å²	141	76.1 Å²	76.1	61%	0.613	36%	0.359	S	S	*	.	H	α-helix	trans	-61.7	-33.7	175.6	-72.4	175.2	-179.5	-179.5	0	112.8	K174 K175	K174-K178 WeakPolarHBondContact O-CG 3.38Å; K174-K178 PolarHBondContact O-N 2.68Å; K175-K178 PolarHBondContact O-N 3.47Å
179	N	84.4	Confident	79	Confident	136 Å²	136	76 Å²	76	73%	0.727	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.8	-177.6	-66.7	-19.1	0	0	0	113.7	K175 G176 D177	K175-N179 WeakPolarHBondContact O-CB 3.36Å; K175-N179 PolarHBondContact O-N 3.39Å; K175-N179 VanDerWaalsContact O-N 3.12Å; K175-N179 PolarHBondContact O-ND2 2.78Å; G176-N179 PolarHBondContact O-N 2.8Å; D177-N179 PolarHBondContact O-N 2.59Å
180	A	78.5	Confident	77.3	Confident	20 Å²	20	76.8 Å²	76.8	17%	0.165	36%	0.364	C	S	.	.	S	Bend	trans	-59.3	142.6	179.4	0	0	0	0	0	111.1	G176 D177 R182	G176-A180 PolarHBondContact O-N 2.84Å; G176-A180 VanDerWaalsContact O-N 3.12Å; D177-A180 WeakPolarHBondContact O-CB 3.49Å; D177-A180 PolarHBondContact O-N 2.84Å; A180-R182 PolarHBondContact O-N 2.72Å
181	D	73.5	Confident	75.8	Confident	61 Å²	61	76.7 Å²	76.7	33%	0.326	36%	0.363	S	S	.	.			trans	-63.9	97.8	-177.8	-177.5	2.4	0	0	0	110.7	R183 R184	D181-R183 PolarHBondContact O-N 2.96Å; D181-R183 VanDerWaalsContact O-N 3.07Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 WeakPolarHBondContact OD1-CG 3.16Å; D181-R183 PolarHBondContact OD1-N 2.88Å; D181-R184 HydrophobicContact CB-CG 4.21Å; D181-R184 WeakPolarHBondContact O-CB 3.45Å; D181-R184 PolarHBondContact O-N 3.01Å; D181-R184 IonicContact OD2-CZ 3.79Å; D181-R184 IonicContact OD2-NE 3.34Å; D181-R184 PolarHBondContact OD2-NE 3.23Å; D181-R184 IonicContact OD2-NH2 2.65Å
182	R	68.3	Low	74.1	Confident	217 Å²	217	76.7 Å²	76.7	82%	0.819	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.5	179.5	-60.3	-173.7	-175.7	178.4	1.5	113.6	A180 R184	A180-R182 PolarHBondContact O-N 2.72Å; R182-R184 PolarHBondContact O-N 3.45Å
183	R	63	Low	72.4	Confident	204 Å²	204	76.7 Å²	76.7	77%	0.77	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.7	175.4	-57.6	176.3	176	-177.5	0.3	111.7	D181	D181-R183 PolarHBondContact O-N 2.96Å; D181-R183 VanDerWaalsContact O-N 3.07Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 WeakPolarHBondContact OD1-CG 3.16Å; D181-R183 PolarHBondContact OD1-N 2.88Å
184	R	63.9	Low	70.8	Confident	70 Å²	70	79.1 Å²	79.1	26%	0.264	39%	0.385	S	S	.	.	S	Bend	trans	-94.5	120.1	176.2	-56.5	177.4	-169	-170.9	-11.9	106.3	D181 R182 W186	D181-R184 HydrophobicContact CB-CG 4.21Å; D181-R184 WeakPolarHBondContact O-CB 3.45Å; D181-R184 PolarHBondContact O-N 3.01Å; D181-R184 IonicContact OD2-CZ 3.79Å; D181-R184 IonicContact OD2-NE 3.34Å; D181-R184 PolarHBondContact OD2-NE 3.23Å; D181-R184 IonicContact OD2-NH2 2.65Å; R182-R184 PolarHBondContact O-N 3.45Å; R184-W186 HydrophobicContact CB-CD2 3.88Å; R184-W186 HydrophobicContact CB-CG 4.28Å; R184-W186 HydrophobicContact CB-CH2 4.35Å; R184-W186 HydrophobicContact CB-CZ2 3.63Å; R184-W186 VanDerWaalsContact CD-CZ2 3.49Å; R184-W186 HydrophobicContact CG-CZ2 4.12Å; R184-W186 PolarHBondContact O-N 3.07Å
185	D	63.4	Low	69.4	Low	7 Å²	7	79.7 Å²	79.7	4%	0.037	40%	0.397	C	S	.	.			trans	-71.6	53.9	-172.3	-167.3	26.2	0	0	0	113.7	S187 G188 L189 L190 R191	D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 3.46Å; D185-G188 VanDerWaalsContact CG-CA 3.5Å; D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 WeakPolarHBondContact OD1-CA 3.5Å; D185-G188 PolarHBondContact OD1-N 2.87Å; D185-G188 WeakPolarHBondContact OD2-CA 3.46Å; D185-L189 PolarHBondContact OD1-N 3.11Å; D185-L190 HydrophobicContact CB-CB 3.89Å; D185-L190 HydrophobicContact CB-CD1 3.84Å; D185-L190 HydrophobicContact CB-CG 4.28Å; D185-L190 VanDerWaalsContact CG-CB 3.46Å; D185-L190 PolarHBondContact OD1-N 2.8Å; D185-R191 WeakPolarHBondContact OD2-CG 3.35Å; D185-R191 IonicContact OD2-CZ 3.74Å; D185-R191 PolarHBondContact OD2-N 2.92Å; D185-R191 IonicContact OD2-NE 3.73Å
186	W	69.8	Low	68	Low	15 Å²	15	79.1 Å²	79.1	6%	0.057	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-36.8	-178.2	-55.3	138.9	0	0	0	111.5	S50 L51 V52 F114 T121 I131 Y132 E135 R184	S50-W186 CarbonylContact C-O 3.33Å; S50-W186 VanDerWaalsContact CB-O 3.24Å; S50-W186 WeakPolarHBondContact CB-O 3.43Å; L51-W186 HydrophobicContact CB-CB 4.48Å; L51-W186 HydrophobicContact CB-CE3 4.49Å; L51-W186 WeakPolarHBondContact CB-O 3.07Å; L51-W186 HydrophobicContact CD2-CD2 4.13Å; L51-W186 HydrophobicContact CD2-CE3 3.62Å; L51-W186 HydrophobicContact CD2-CZ3 4.09Å; L51-W186 PolarHBondContact N-O 3.06Å; V52-W186 PolarHBondContact N-O 3.3Å; F114-W186 HydrophobicContact CD2-CH2 4.2Å; F114-W186 AromaticContact CD2-CZ3 3.99Å; F114-W186 HydrophobicContact CD2-CZ3 3.99Å; F114-W186 AromaticContact CE2-CH2 3.76Å; F114-W186 HydrophobicContact CE2-CH2 3.76Å; F114-W186 AromaticContact CE2-CZ3 3.95Å; F114-W186 HydrophobicContact CE2-CZ3 3.95Å; T121-W186 HydrophobicContact CG2-CZ3 4.46Å; I131-W186 HydrophobicContact CG2-CH2 4.03Å; I131-W186 HydrophobicContact CG2-CZ2 3.87Å; Y132-W186 AromaticContact CD2-CH2 3.94Å; Y132-W186 HydrophobicContact CD2-CH2 3.94Å; Y132-W186 AromaticContact CD2-CZ3 3.61Å; Y132-W186 HydrophobicContact CD2-CZ3 3.61Å; Y132-W186 HydrophobicContact CE2-CZ3 4.13Å; E135-W186 HydrophobicContact CB-CZ2 4.13Å; E135-W186 HydrophobicContact CG-CD2 3.87Å; E135-W186 HydrophobicContact CG-CE3 4.42Å; E135-W186 HydrophobicContact CG-CG 4.05Å; E135-W186 HydrophobicContact CG-CZ2 4.14Å; R184-W186 HydrophobicContact CB-CD2 3.88Å; R184-W186 HydrophobicContact CB-CG 4.28Å; R184-W186 HydrophobicContact CB-CH2 4.35Å; R184-W186 HydrophobicContact CB-CZ2 3.63Å; R184-W186 VanDerWaalsContact CD-CZ2 3.49Å; R184-W186 HydrophobicContact CG-CZ2 4.12Å; R184-W186 PolarHBondContact O-N 3.07Å
187	S	63.2	Low	66.9	Low	57 Å²	57	85.1 Å²	85.1	40%	0.399	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.5	178.6	58.8	0	0	0	0	114.1	S50 D185 L189	S50-S187 WeakPolarHBondContact CB-O 3.08Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 3.46Å; S187-L189 PolarHBondContact O-N 3.21Å; S187-L189 VanDerWaalsContact OG-CD1 3.31Å; S187-L189 WeakPolarHBondContact OG-CD1 3.28Å; S187-L189 VanDerWaalsContact OG-CG 3.28Å; S187-L189 WeakPolarHBondContact OG-CG 3.31Å
188	G	61.9	Low	65.9	Low	4 Å²	4	90.2 Å²	90.2	4%	0.041	43%	0.431	C	S	.	.	S	Bend	trans	71	4.7	-176	0	0	0	0	0	114.4	D185 L190 R191 V192	D185-G188 VanDerWaalsContact CG-CA 3.5Å; D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 WeakPolarHBondContact OD1-CA 3.5Å; D185-G188 PolarHBondContact OD1-N 2.87Å; D185-G188 WeakPolarHBondContact OD2-CA 3.46Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-L190 PolarHBondContact O-N 3.43Å; G188-R191 WeakPolarHBondContact O-CB 3.39Å; G188-R191 PolarHBondContact O-N 3.24Å; G188-V192 WeakPolarHBondContact O-CG2 3.41Å; G188-V192 PolarHBondContact O-N 2.94Å
189	L	60.7	Low	65.1	Low	110 Å²	110	87.4 Å²	87.4	58%	0.576	43%	0.434	S	S	*	.	H	α-helix	trans	-60.5	-39.2	178.5	-75.5	171.9	0	0	0	112.2	D185 S187 V192 L193	D185-L189 PolarHBondContact OD1-N 3.11Å; S187-L189 PolarHBondContact O-N 3.21Å; S187-L189 VanDerWaalsContact OG-CD1 3.31Å; S187-L189 WeakPolarHBondContact OG-CD1 3.28Å; S187-L189 VanDerWaalsContact OG-CG 3.28Å; S187-L189 WeakPolarHBondContact OG-CG 3.31Å; L189-V192 PolarHBondContact O-N 3.31Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.23Å; L189-L193 WeakPolarHBondContact O-CG 3.26Å; L189-L193 PolarHBondContact O-N 2.87Å
190	L	57.2	Low	64.1	Low	77 Å²	77	88.9 Å²	88.9	40%	0.403	44%	0.437	S	S	.	.	H	α-helix	trans	-67.7	-37.8	177.2	-69.1	164.5	0	0	0	111	D185 G188 T194	D185-L190 HydrophobicContact CB-CB 3.89Å; D185-L190 HydrophobicContact CB-CD1 3.84Å; D185-L190 HydrophobicContact CB-CG 4.28Å; D185-L190 VanDerWaalsContact CG-CB 3.46Å; D185-L190 PolarHBondContact OD1-N 2.8Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-L190 PolarHBondContact O-N 3.43Å; L190-T194 VanDerWaalsContact O-CB 3.26Å; L190-T194 WeakPolarHBondContact O-CB 3.45Å; L190-T194 PolarHBondContact O-N 2.67Å; L190-T194 PolarHBondContact O-OG1 2.99Å
191	R	62.1	Low	62.9	Low	45 Å²	45	99.6 Å²	99.6	17%	0.17	48%	0.479	C	S	.	.	H	α-helix	trans	-60	-48.6	170.2	-80.9	-176.3	-68.1	-100.5	-3.3	111.9	L117 D185 G188 T194 S195	L117-R191 VanDerWaalsContact CD1-NH1 3.34Å; D185-R191 WeakPolarHBondContact OD2-CG 3.35Å; D185-R191 IonicContact OD2-CZ 3.74Å; D185-R191 PolarHBondContact OD2-N 2.92Å; D185-R191 IonicContact OD2-NE 3.73Å; G188-R191 WeakPolarHBondContact O-CB 3.39Å; G188-R191 PolarHBondContact O-N 3.24Å; R191-T194 PolarHBondContact O-N 2.89Å; R191-S195 WeakPolarHBondContact O-CB 3.23Å; R191-S195 PolarHBondContact O-N 2.88Å; R191-S195 PolarHBondContact O-OG 3.32Å; R191-S195 VanDerWaalsContact O-OG 3.07Å
192	V	60.5	Low	62.3	Low	82 Å²	82	101.5 Å²	101.5	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-60.1	-49.1	178.7	173.2	0	0	0	0	110.7	G188 L189 T194 S195 L196	G188-V192 WeakPolarHBondContact O-CG2 3.41Å; G188-V192 PolarHBondContact O-N 2.94Å; L189-V192 PolarHBondContact O-N 3.31Å; V192-T194 VanDerWaalsContact C-N 3.33Å; V192-T194 PolarHBondContact O-N 2.88Å; V192-S195 PolarHBondContact O-N 3.22Å; V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.37Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 VanDerWaalsContact O-CG 3.28Å; V192-L196 WeakPolarHBondContact O-CG 3.28Å; V192-L196 PolarHBondContact O-N 3.07Å
193	L	57.3	Low	62	Low	99 Å²	99	95.4 Å²	95.4	52%	0.518	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-37.7	178.7	-69.8	171.6	0	0	0	112.5	L189 K197	L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.23Å; L189-L193 WeakPolarHBondContact O-CG 3.26Å; L189-L193 PolarHBondContact O-N 2.87Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 WeakPolarHBondContact O-CG 3.37Å; L193-K197 PolarHBondContact O-N 3.31Å
194	T	59	Low	62	Low	57 Å²	57	89.4 Å²	89.4	35%	0.35	45%	0.453	S	S	.	.	H	α-helix	trans	-70.5	-41.3	177.5	-55.2	0	0	0	0	111.4	L190 R191 V192 K197 R198	L190-T194 VanDerWaalsContact O-CB 3.26Å; L190-T194 WeakPolarHBondContact O-CB 3.45Å; L190-T194 PolarHBondContact O-N 2.67Å; L190-T194 PolarHBondContact O-OG1 2.99Å; R191-T194 PolarHBondContact O-N 2.89Å; V192-T194 VanDerWaalsContact C-N 3.33Å; V192-T194 PolarHBondContact O-N 2.88Å; T194-K197 PolarHBondContact O-N 3.4Å; T194-R198 WeakPolarHBondContact O-CG 3.37Å; T194-R198 PolarHBondContact O-N 3.42Å
195	S	61.8	Low	61.9	Low	73 Å²	73	90.5 Å²	90.5	51%	0.51	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-42.3	174.9	-65.8	0	0	0	0	111.7	R191 V192 R198 A199	R191-S195 WeakPolarHBondContact O-CB 3.23Å; R191-S195 PolarHBondContact O-N 2.88Å; R191-S195 PolarHBondContact O-OG 3.32Å; R191-S195 VanDerWaalsContact O-OG 3.07Å; V192-S195 PolarHBondContact O-N 3.22Å; S195-R198 PolarHBondContact O-N 3.08Å; S195-A199 WeakPolarHBondContact O-CB 3.36Å; S195-A199 PolarHBondContact O-N 3Å
196	L	63.4	Low	61.8	Low	95 Å²	95	95.8 Å²	95.8	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.6	-73.2	169.8	0	0	0	111.7	V192 R198 A199 Q200	V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.37Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 VanDerWaalsContact O-CG 3.28Å; V192-L196 WeakPolarHBondContact O-CG 3.28Å; V192-L196 PolarHBondContact O-N 3.07Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 3.18Å; L196-A199 PolarHBondContact O-N 3.33Å; L196-Q200 WeakPolarHBondContact O-CG 3.48Å; L196-Q200 PolarHBondContact O-N 2.92Å; L196-Q200 VanDerWaalsContact O-N 3.08Å
197	K	63.1	Low	61.2	Low	152 Å²	152	101.1 Å²	101.1	66%	0.661	52%	0.52	S	S	*	.	H	α-helix	trans	-62	-31.9	175.3	-79.4	-177	178.5	-175.5	0	113.3	L193 T194	L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 WeakPolarHBondContact O-CG 3.37Å; L193-K197 PolarHBondContact O-N 3.31Å; T194-K197 PolarHBondContact O-N 3.4Å
198	R	63.4	Low	61.1	Low	173 Å²	173	104.3 Å²	104.3	65%	0.653	53%	0.528	S	S	*	.	H	α-helix	trans	-75.9	-33.9	175.3	-75.3	177.5	179.6	-177.2	-1.5	112.3	T194 S195 L196 Q200 K201	T194-R198 WeakPolarHBondContact O-CG 3.37Å; T194-R198 PolarHBondContact O-N 3.42Å; S195-R198 PolarHBondContact O-N 3.08Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 3.18Å; R198-Q200 VanDerWaalsContact C-N 3.28Å; R198-K201 PolarHBondContact O-N 3.48Å
199	A	69.3	Low	61	Low	82 Å²	82	112 Å²	112	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-75	-17.4	176.4	0	0	0	0	0	113.4	S195 L196	S195-A199 WeakPolarHBondContact O-CB 3.36Å; S195-A199 PolarHBondContact O-N 3Å; L196-A199 PolarHBondContact O-N 3.33Å
200	Q	64	Low	61.1	Low	166 Å²	166	112.2 Å²	112.2	78%	0.776	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-0.4	175.3	-73	177.8	-21.4	0	0	113.9	L196 R198	L196-Q200 WeakPolarHBondContact O-CG 3.48Å; L196-Q200 PolarHBondContact O-N 2.92Å; L196-Q200 VanDerWaalsContact O-N 3.08Å; R198-Q200 VanDerWaalsContact C-N 3.28Å
201	K	51.7	Low	61.4	Low	245 Å²	245	115.4 Å²	115.4	100%	1.065	58%	0.58	S	S	*	*			trans	-106.4	0	172.6	-78.8	-170.8	174.8	-169.6	0	109.9	R198	R198-K201 PolarHBondContact O-N 3.48Å

Retrieved 201 of 201 residues in 467.3 ms (Link to these results)

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