A0A087XSZ0_POEFO Loading...

Argininosuccinate lyase

AlphaFold DB , UniProt , Accession A0A087XSZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	41	Very low	252 Å²	252	115.2 Å²	115.2	100%	1.241	66%	0.663	S	S	*	*				0	92	0	-71.4	178.7	-180	0	0	106.8
2	A	26.3	Very low	42.1	Very low	85 Å²	85	113.1 Å²	113.1	70%	0.702	69%	0.685	S	S	*	*			trans	-111.3	110.3	175.6	0	0	0	0	0	106.2	T4	A2-T4 PolarHBondContact O-N 3.21Å
3	N	28.4	Very low	42.9	Very low	159 Å²	159	121.5 Å²	121.5	85%	0.85	70%	0.697	S	S	*	*			trans	-76.6	96.6	168.4	-104.4	3.3	0	0	0	106.9	E5	N3-E5 VanDerWaalsContact C-N 3.31Å; N3-E5 PolarHBondContact O-N 3.23Å
4	T	35.4	Very low	44.2	Very low	129 Å²	129	123 Å²	123	79%	0.791	69%	0.692	S	S	*	*			trans	-84.4	75.2	171.1	38.9	0	0	0	0	109.6	A2 G6	A2-T4 PolarHBondContact O-N 3.21Å; T4-G6 PolarHBondContact O-N 2.74Å
5	E	36.9	Very low	45.4	Very low	188 Å²	188	125.2 Å²	125.2	88%	0.879	71%	0.709	S	S	*	*			trans	-92.9	81.2	163.1	-76.2	-169.4	158.7	0	0	109	N3	N3-E5 VanDerWaalsContact C-N 3.31Å; N3-E5 PolarHBondContact O-N 3.23Å
6	G	41.3	Very low	47	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	70%	0.7	S	S	*	*			trans	-173.7	42.3	-180	0	0	0	0	0	111.1	T4 K8	T4-G6 PolarHBondContact O-N 2.74Å; G6-K8 PolarHBondContact O-N 2.96Å
7	S	45.5	Very low	48.5	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	71%	0.713	S	S	*	*			trans	-68.8	103.3	175.1	169.9	0	0	0	0	108.8
8	K	52.9	Low	49.9	Very low	58 Å²	58	120.5 Å²	120.5	25%	0.252	70%	0.695	S	S	.	*			trans	-50.6	145.8	166.6	-61	-175.1	-179.1	-176.6	0	109.2	G6 W10 G11 T18 E23	G6-K8 PolarHBondContact O-N 2.96Å; K8-W10 PolarHBondContact O-N 3.38Å; K8-G11 WeakPolarHBondContact O-CA 3.47Å; K8-G11 PolarHBondContact O-N 2.71Å; K8-T18 PolarHBondContact NZ-OG1 2.84Å; K8-E23 WeakPolarHBondContact CE-OE1 3.29Å; K8-E23 IonicContact NZ-OE1 3.6Å; K8-E23 PolarHBondContact NZ-OE1 3.12Å
9	L	53	Low	51.6	Low	87 Å²	87	119.1 Å²	119.1	46%	0.455	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.8	-21.9	-175.7	-82.5	147.3	0	0	0	113.9	T91 E94	L9-T91 HydrophobicContact CD1-CG2 4.37Å; L9-E94 WeakPolarHBondContact CD1-OE2 3.41Å
10	W	56.5	Low	53.2	Low	109 Å²	109	118.1 Å²	118.1	41%	0.413	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.5	8.6	173.3	51.1	24.7	0	0	0	115	K8 G12 F14 E87	K8-W10 PolarHBondContact O-N 3.38Å; W10-G12 VanDerWaalsContact C-N 3.27Å; W10-G12 PolarHBondContact O-N 2.73Å; W10-F14 HydrophobicContact CG-CE2 4.46Å; W10-F14 WeakPolarHBondContact O-CD2 3.31Å; W10-F14 WeakPolarHBondContact O-CE2 3.35Å; W10-E87 WeakPolarHBondContact CH2-OE1 3.25Å; W10-E87 WeakPolarHBondContact CZ2-OE1 3.37Å; W10-E87 WeakPolarHBondContact CZ2-OE2 3.37Å
11	G	45.2	Very low	54.8	Low	27 Å²	27	118.8 Å²	118.8	28%	0.278	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-68	-16.9	-167.7	0	0	0	0	0	115.6	K8 R13 F14	K8-G11 WeakPolarHBondContact O-CA 3.47Å; K8-G11 PolarHBondContact O-N 2.71Å; G11-R13 PolarHBondContact O-N 3.21Å; G11-F14 PolarHBondContact O-N 3.34Å
12	G	54.4	Low	57.4	Low	90 Å²	90	111.5 Å²	111.5	93%	0.928	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-63.3	-10.3	-173.9	0	0	0	0	0	116	W10	W10-G12 VanDerWaalsContact C-N 3.27Å; W10-G12 PolarHBondContact O-N 2.73Å
13	R	52.7	Low	60	Low	223 Å²	223	111 Å²	111	84%	0.842	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-110.3	-15.5	-178	-174.9	172	174.5	147.1	0.3	114.4	G11	G11-R13 PolarHBondContact O-N 3.21Å
14	F	61	Low	62.6	Low	142 Å²	142	111.1 Å²	111.1	62%	0.623	62%	0.623	S	S	*	*			trans	-95	130.6	-170.4	-63.4	-83.6	0	0	0	111.1	W10 G11	W10-F14 HydrophobicContact CG-CE2 4.46Å; W10-F14 WeakPolarHBondContact O-CD2 3.31Å; W10-F14 WeakPolarHBondContact O-CE2 3.35Å; G11-F14 PolarHBondContact O-N 3.34Å
15	V	62.2	Low	64.9	Low	156 Å²	156	112.8 Å²	112.8	95%	0.945	62%	0.619	S	S	*	*	S	Bend	trans	-95.4	-9.6	-175.3	-172.7	0	0	0	0	111.9
16	G	70.8	Confident	67.2	Low	55 Å²	55	104.8 Å²	104.8	57%	0.567	58%	0.583	S	S	*	*	S	Bend	trans	-138.4	167.4	177.6	0	0	0	0	0	112.3
17	D	72.8	Confident	69.4	Low	172 Å²	172	104.8 Å²	104.8	92%	0.92	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-73.4	149.4	179.7	-62.9	-39.8	0	0	0	111.6
18	T	73.1	Confident	71.4	Confident	64 Å²	64	100 Å²	100	39%	0.393	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-69.2	139.8	172.1	-45.2	0	0	0	0	109.3	K8 M22 E23	K8-T18 PolarHBondContact NZ-OG1 2.84Å; T18-M22 HydrophobicContact CG2-CB 4.08Å; T18-M22 HydrophobicContact CG2-CG 4.06Å; T18-E23 HydrophobicContact CG2-CB 4.43Å
19	D	83.9	Confident	73.1	Confident	94 Å²	94	97.5 Å²	97.5	50%	0.503	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-58.4	132.9	172.2	-171.3	-67.8	0	0	0	110	I21 M22 E23	D19-I21 PolarHBondContact O-N 3.22Å; D19-I21 VanDerWaalsContact O-N 3.14Å; D19-I21 VanDerWaalsContact OD1-CB 3.29Å; D19-I21 WeakPolarHBondContact OD1-CB 3.37Å; D19-I21 PolarHBondContact OD1-N 2.94Å; D19-M22 HydrophobicContact CB-CB 4.25Å; D19-M22 WeakPolarHBondContact O-CB 3.4Å; D19-M22 PolarHBondContact O-N 2.73Å; D19-E23 PolarHBondContact O-N 3.39Å
20	P	83.1	Confident	74.7	Confident	98 Å²	98	97.9 Å²	97.9	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-56.2	-29.8	-179.4	-26.5	34.3	0	0	0	114.4	K24	P20-K24 PolarHBondContact O-N 3.16Å; P20-K24 VanDerWaalsContact O-N 3.11Å
21	I	86.1	Confident	76.2	Confident	133 Å²	133	94.5 Å²	94.5	68%	0.682	51%	0.514	S	S	*	.	H	α-helix	trans	-69.6	-43.4	176.2	-62.9	169	0	0	0	110	D19 E23 K24 F25	D19-I21 PolarHBondContact O-N 3.22Å; D19-I21 VanDerWaalsContact O-N 3.14Å; D19-I21 VanDerWaalsContact OD1-CB 3.29Å; D19-I21 WeakPolarHBondContact OD1-CB 3.37Å; D19-I21 PolarHBondContact OD1-N 2.94Å; I21-E23 VanDerWaalsContact C-N 3.35Å; I21-K24 PolarHBondContact O-N 3.44Å; I21-F25 WeakPolarHBondContact O-CB 3.25Å; I21-F25 PolarHBondContact O-N 3.35Å
22	M	83.4	Confident	78.4	Confident	99 Å²	99	93.3 Å²	93.3	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-37.6	177.6	-177.6	62.6	-168.2	0	0	111.3	T18 D19 F25 N26	T18-M22 HydrophobicContact CG2-CB 4.08Å; T18-M22 HydrophobicContact CG2-CG 4.06Å; D19-M22 HydrophobicContact CB-CB 4.25Å; D19-M22 WeakPolarHBondContact O-CB 3.4Å; D19-M22 PolarHBondContact O-N 2.73Å; M22-F25 PolarHBondContact O-N 2.98Å; M22-F25 HydrophobicContact SD-CD1 4.42Å; M22-N26 HydrophobicContact CE-CB 4.44Å; M22-N26 VanDerWaalsContact O-CB 3.22Å; M22-N26 WeakPolarHBondContact O-CB 3.36Å; M22-N26 PolarHBondContact O-N 2.99Å
23	E	80.8	Confident	80.1	Confident	75 Å²	75	92.3 Å²	92.3	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-49.4	175.8	-176.1	161.2	-130.4	0	0	111.3	K8 T18 D19 I21 F25 N26 E27	K8-E23 WeakPolarHBondContact CE-OE1 3.29Å; K8-E23 IonicContact NZ-OE1 3.6Å; K8-E23 PolarHBondContact NZ-OE1 3.12Å; T18-E23 HydrophobicContact CG2-CB 4.43Å; D19-E23 PolarHBondContact O-N 3.39Å; I21-E23 VanDerWaalsContact C-N 3.35Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.45Å; E23-N26 PolarHBondContact O-N 3.2Å; E23-E27 WeakPolarHBondContact O-CB 3.45Å; E23-E27 PolarHBondContact O-N 3.03Å
24	K	82.7	Confident	82	Confident	162 Å²	162	85.7 Å²	85.7	70%	0.704	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-34.8	176.8	-172.1	178.5	-179.4	-178.7	0	113.3	P20 I21 N26	P20-K24 PolarHBondContact O-N 3.16Å; P20-K24 VanDerWaalsContact O-N 3.11Å; I21-K24 PolarHBondContact O-N 3.44Å; K24-N26 VanDerWaalsContact C-N 3.33Å
25	F	84.1	Confident	83.5	Confident	164 Å²	164	78.9 Å²	78.9	72%	0.719	42%	0.418	S	S	*	.	H	α-helix	trans	-71.8	-29.6	178.1	-178.6	-107.2	0	0	0	112.5	I21 M22 E23	I21-F25 WeakPolarHBondContact O-CB 3.25Å; I21-F25 PolarHBondContact O-N 3.35Å; M22-F25 PolarHBondContact O-N 2.98Å; M22-F25 HydrophobicContact SD-CD1 4.42Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.45Å
26	N	85.3	Confident	85	Confident	20 Å²	20	74.1 Å²	74.1	11%	0.107	38%	0.383	C	S	.	.	H	α-helix	trans	-90.2	-23.1	-178.9	176.8	83.7	0	0	0	113.5	M22 E23 K24 S28 E87 K325 Q328	M22-N26 HydrophobicContact CE-CB 4.44Å; M22-N26 VanDerWaalsContact O-CB 3.22Å; M22-N26 WeakPolarHBondContact O-CB 3.36Å; M22-N26 PolarHBondContact O-N 2.99Å; E23-N26 PolarHBondContact O-N 3.2Å; K24-N26 VanDerWaalsContact C-N 3.33Å; N26-S28 PolarHBondContact O-N 3.34Å; N26-E87 PolarHBondContact ND2-OE1 2.71Å; N26-K325 WeakPolarHBondContact OD1-CE 3.4Å; N26-K325 PolarHBondContact OD1-NZ 3.27Å; N26-Q328 PolarHBondContact O-NE2 3.47Å
27	E	87.1	Confident	86.1	Confident	65 Å²	65	74.2 Å²	74.2	30%	0.304	37%	0.371	S	S	.	.			trans	-59.4	126.1	179.9	-178.6	179.1	-154.3	0	0	112.2	E23 I29	E23-E27 WeakPolarHBondContact O-CB 3.45Å; E23-E27 PolarHBondContact O-N 3.03Å; E27-I29 HydrophobicContact CG-CB 4.49Å; E27-I29 HydrophobicContact CG-CG2 3.67Å; E27-I29 WeakPolarHBondContact OE1-CG2 3.47Å
28	S	88.7	Confident	87.1	Confident	8 Å²	8	66.1 Å²	66.1	6%	0.056	33%	0.327	C	S	.	.			trans	-110	-9.3	178.6	50.6	0	0	0	0	114.3	N26 T30 Y31 D32 E87 D88	N26-S28 PolarHBondContact O-N 3.34Å; S28-T30 PolarHBondContact O-N 3.27Å; S28-Y31 VanDerWaalsContact CA-CZ 3.48Å; S28-Y31 VanDerWaalsContact CB-CE2 3.49Å; S28-Y31 VanDerWaalsContact CB-CZ 3.43Å; S28-Y31 VanDerWaalsContact CB-OH 3.28Å; S28-Y31 WeakPolarHBondContact CB-OH 3.43Å; S28-Y31 WeakPolarHBondContact O-CD2 3.49Å; S28-Y31 PolarHBondContact O-N 2.95Å; S28-D32 VanDerWaalsContact C-CG 3.45Å; S28-D32 WeakPolarHBondContact CB-OD2 3.34Å; S28-D32 WeakPolarHBondContact O-CB 3.22Å; S28-D32 PolarHBondContact O-N 2.96Å; S28-D32 PolarHBondContact OG-OD2 2.93Å; S28-E87 PolarHBondContact N-O 2.96Å; S28-D88 WeakPolarHBondContact OG-CB 3.07Å
29	I	88.3	Confident	88.1	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-53	-32	-172.6	-166.4	61.3	0	0	0	114.3	E27 Y31 D32 Q33 I82 E87 I89 A92	E27-I29 HydrophobicContact CG-CB 4.49Å; E27-I29 HydrophobicContact CG-CG2 3.67Å; E27-I29 WeakPolarHBondContact OE1-CG2 3.47Å; I29-Y31 PolarHBondContact O-N 2.87Å; I29-D32 WeakPolarHBondContact CA-OD1 3.43Å; I29-Q33 WeakPolarHBondContact O-CB 3.46Å; I29-Q33 WeakPolarHBondContact O-CG 3.23Å; I29-Q33 PolarHBondContact O-N 3.18Å; I29-I82 HydrophobicContact CG1-CD1 4.15Å; I29-I82 HydrophobicContact CG1-CG2 3.74Å; I29-E87 PolarHBondContact N-O 2.94Å; I29-I89 HydrophobicContact CD1-CB 4.32Å; I29-I89 HydrophobicContact CD1-CD1 4.47Å; I29-A92 HydrophobicContact CD1-CB 4.06Å
30	T	87.3	Confident	88.6	Confident	94 Å²	94	58.7 Å²	58.7	58%	0.577	29%	0.285	S	S	*	.	H	α-helix	trans	-61.7	-31.4	-177.5	59.2	0	0	0	0	113.4	S28 Q33	S28-T30 PolarHBondContact O-N 3.27Å; T30-Q33 PolarHBondContact O-NE2 3.06Å
31	Y	88	Confident	89.1	Confident	38 Å²	38	57.2 Å²	57.2	15%	0.149	27%	0.267	C	S	.	.	H	α-helix	trans	-116.2	-35.1	-179.4	51.9	-100.3	0	0	0	113	S28 I29 Q33 R34 Q328 K331 E332 F335	S28-Y31 VanDerWaalsContact CA-CZ 3.48Å; S28-Y31 VanDerWaalsContact CB-CE2 3.49Å; S28-Y31 VanDerWaalsContact CB-CZ 3.43Å; S28-Y31 VanDerWaalsContact CB-OH 3.28Å; S28-Y31 WeakPolarHBondContact CB-OH 3.43Å; S28-Y31 WeakPolarHBondContact O-CD2 3.49Å; S28-Y31 PolarHBondContact O-N 2.95Å; I29-Y31 PolarHBondContact O-N 2.87Å; Y31-Q33 PolarHBondContact O-N 3.07Å; Y31-R34 WeakPolarHBondContact O-CG 3.42Å; Y31-R34 PolarHBondContact O-N 3.3Å; Y31-Q328 PolarHBondContact OH-NE2 2.76Å; Y31-K331 HydrophobicContact CD2-CB 4.1Å; Y31-K331 HydrophobicContact CE2-CB 4.15Å; Y31-K331 HydrophobicContact CE2-CD 4.12Å; Y31-E332 HydrophobicContact CD1-CG 4Å; Y31-E332 HydrophobicContact CD2-CG 4.12Å; Y31-E332 HydrophobicContact CE1-CG 4.11Å; Y31-E332 HydrophobicContact CE2-CG 4.25Å; Y31-E332 HydrophobicContact CG-CG 4Å; Y31-F335 WeakPolarHBondContact O-CE2 3.39Å
32	D	89.9	Confident	89.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-71.6	-16.8	-177.1	75.1	15.9	0	0	0	113.3	S28 I29 R34 M35 D88 I89 K331	S28-D32 VanDerWaalsContact C-CG 3.45Å; S28-D32 WeakPolarHBondContact CB-OD2 3.34Å; S28-D32 WeakPolarHBondContact O-CB 3.22Å; S28-D32 PolarHBondContact O-N 2.96Å; S28-D32 PolarHBondContact OG-OD2 2.93Å; I29-D32 WeakPolarHBondContact CA-OD1 3.43Å; D32-R34 PolarHBondContact O-N 3.02Å; D32-M35 HydrophobicContact CB-CE 3.86Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.46Å; D32-D88 VanDerWaalsContact OD2-CA 3.25Å; D32-D88 WeakPolarHBondContact OD2-CA 3.21Å; D32-D88 VanDerWaalsContact OD2-CB 3.23Å; D32-D88 WeakPolarHBondContact OD2-CB 3.41Å; D32-I89 HydrophobicContact CB-CG2 4.22Å; D32-I89 VanDerWaalsContact OD1-CB 3.3Å; D32-I89 WeakPolarHBondContact OD1-CB 3.42Å; D32-I89 PolarHBondContact OD1-N 3.36Å; D32-I89 PolarHBondContact OD2-N 3.27Å; D32-K331 HydrophobicContact CB-CD 4.47Å
33	Q	91	Very high	90	Very high	70 Å²	70	46.4 Å²	46.4	33%	0.327	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-51.7	-26.7	174	60.1	176.2	-10.6	0	0	112	I29 T30 Y31 M35 W36 W75	I29-Q33 WeakPolarHBondContact O-CB 3.46Å; I29-Q33 WeakPolarHBondContact O-CG 3.23Å; I29-Q33 PolarHBondContact O-N 3.18Å; T30-Q33 PolarHBondContact O-NE2 3.06Å; Y31-Q33 PolarHBondContact O-N 3.07Å; Q33-M35 PolarHBondContact O-N 3.2Å; Q33-W36 WeakPolarHBondContact O-CB 3.44Å; Q33-W36 PolarHBondContact O-N 3.43Å; Q33-W75 HydrophobicContact CB-CH2 4.16Å; Q33-W75 HydrophobicContact CB-CZ3 4.34Å
34	R	92.1	Very high	90.6	Very high	83 Å²	83	45.1 Å²	45.1	31%	0.313	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-58.4	-19.5	174.9	-66	-176.5	68.5	164.3	6.5	114.4	Y31 D32 F335 D339	Y31-R34 WeakPolarHBondContact O-CG 3.42Å; Y31-R34 PolarHBondContact O-N 3.3Å; D32-R34 PolarHBondContact O-N 3.02Å; R34-F335 HydrophobicContact CB-CE1 4.34Å; R34-F335 HydrophobicContact CB-CE2 4.37Å; R34-F335 HydrophobicContact CB-CZ 4.11Å; R34-D339 IonicContact CZ-OD1 2.81Å; R34-D339 IonicContact CZ-OD2 2.77Å; R34-D339 VanDerWaalsContact NH1-CG 3.3Å; R34-D339 IonicContact NH1-OD1 3.67Å; R34-D339 PolarHBondContact NH1-OD1 2.93Å; R34-D339 IonicContact NH1-OD2 2.72Å; R34-D339 PolarHBondContact NH1-OD2 3.21Å; R34-D339 IonicContact NH2-OD1 3.03Å; R34-D339 PolarHBondContact NH2-OD1 3.01Å; R34-D339 IonicContact NH2-OD2 3.9Å
35	M	93.1	Very high	91.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-95	8.5	179.1	-58.6	-174.4	-64.2	0	0	113.1	D32 Q33 D37 A38 D39 M122 W125 K331 F335	D32-M35 HydrophobicContact CB-CE 3.86Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.46Å; Q33-M35 PolarHBondContact O-N 3.2Å; M35-D37 PolarHBondContact O-N 3.23Å; M35-D37 VanDerWaalsContact O-N 3.14Å; M35-A38 WeakPolarHBondContact O-CB 3.34Å; M35-A38 PolarHBondContact O-N 3.35Å; M35-D39 PolarHBondContact O-N 3.22Å; M35-M122 HydrophobicContact CE-CG 4.39Å; M35-M122 HydrophobicContact SD-CB 4.47Å; M35-M122 HydrophobicContact SD-CG 3.58Å; M35-M122 VanDerWaalsContact SD-CG 3.58Å; M35-W125 HydrophobicContact CG-CB 4.39Å; M35-W125 HydrophobicContact CG-CG 4.32Å; M35-K331 HydrophobicContact CE-CD 4.01Å; M35-K331 HydrophobicContact CE-CG 4.1Å; M35-F335 HydrophobicContact CE-CZ 4.5Å; M35-F335 HydrophobicContact CG-CE1 4.34Å; M35-F335 HydrophobicContact CG-CZ 3.73Å; M35-F335 HydrophobicContact SD-CZ 3.98Å
36	W	93.9	Very high	91.7	Very high	56 Å²	56	29.7 Å²	29.7	21%	0.212	14%	0.14	C	C	.	.	H	α-helix	trans	-51	-41.8	-178.6	69.5	-104.3	0	0	0	112.7	Q33 I40 W75 I89	Q33-W36 WeakPolarHBondContact O-CB 3.44Å; Q33-W36 PolarHBondContact O-N 3.43Å; W36-I40 HydrophobicContact CE3-CD1 3.71Å; W36-I40 HydrophobicContact CZ3-CD1 4.1Å; W36-I40 VanDerWaalsContact O-CG1 3.22Å; W36-I40 WeakPolarHBondContact O-CG1 3.48Å; W36-I40 PolarHBondContact O-N 3.37Å; W36-W75 HydrophobicContact CB-CD2 3.9Å; W36-W75 HydrophobicContact CB-CE3 4.39Å; W36-W75 HydrophobicContact CB-CG 4.05Å; W36-W75 HydrophobicContact CB-CZ2 4.44Å; W36-W75 HydrophobicContact CD2-CB 3.49Å; W36-W75 VanDerWaalsContact CD2-CB 3.49Å; W36-W75 HydrophobicContact CD2-CD2 4.25Å; W36-W75 AromaticContact CD2-CG 3.73Å; W36-W75 HydrophobicContact CD2-CG 3.73Å; W36-W75 HydrophobicContact CE3-CB 3.44Å; W36-W75 VanDerWaalsContact CE3-CB 3.44Å; W36-W75 AromaticContact CE3-CD1 3.96Å; W36-W75 AromaticContact CE3-CG 3.77Å; W36-W75 HydrophobicContact CE3-CG 3.77Å; W36-W75 HydrophobicContact CG-CB 4.09Å; W36-W75 AromaticContact CG-CD2 3.88Å; W36-W75 HydrophobicContact CG-CD2 3.88Å; W36-W75 HydrophobicContact CG-CE3 4.15Å; W36-W75 AromaticContact CG-CG 3.85Å; W36-W75 HydrophobicContact CG-CG 3.85Å; W36-W75 HydrophobicContact CH2-CB 4.02Å; W36-W75 HydrophobicContact CZ2-CB 4.05Å; W36-W75 HydrophobicContact CZ3-CB 3.72Å; W36-W75 HydrophobicContact CZ3-CG 4.49Å; W36-I89 HydrophobicContact CB-CD1 3.72Å; W36-I89 HydrophobicContact CB-CG1 4.04Å
37	D	93.7	Very high	92	Very high	57 Å²	57	28.8 Å²	28.8	31%	0.305	14%	0.135	S	C	.	.	H	α-helix	trans	-69.9	-38.7	-179.5	174.9	75.5	0	0	0	112	M35 R41	M35-D37 PolarHBondContact O-N 3.23Å; M35-D37 VanDerWaalsContact O-N 3.14Å; D37-R41 WeakPolarHBondContact O-CB 3.38Å; D37-R41 WeakPolarHBondContact O-CG 3.48Å; D37-R41 PolarHBondContact O-N 3.23Å; D37-R41 IonicContact OD2-CZ 2.63Å; D37-R41 IonicContact OD2-NE 3.72Å; D37-R41 PolarHBondContact OD2-NE 3.46Å; D37-R41 IonicContact OD2-NH2 3.54Å; D37-R41 PolarHBondContact OD2-NH2 2.99Å
38	A	93.9	Very high	92.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-44.6	176.9	0	0	0	0	0	111.2	M35 I40 R41 G42 D121 L124	M35-A38 WeakPolarHBondContact O-CB 3.34Å; M35-A38 PolarHBondContact O-N 3.35Å; A38-I40 PolarHBondContact O-N 3.28Å; A38-R41 PolarHBondContact O-N 2.91Å; A38-G42 PolarHBondContact O-N 3.44Å; A38-D121 HydrophobicContact CB-CB 4.04Å; A38-D121 WeakPolarHBondContact CB-O 3.4Å; A38-L124 HydrophobicContact CB-CB 3.9Å; A38-L124 HydrophobicContact CB-CD1 4.41Å
39	D	94.6	Very high	92.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-40.9	177.3	178.1	76.4	0	0	0	112.3	M35 G42 S43 H90 N93 Q117 D121	M35-D39 PolarHBondContact O-N 3.22Å; D39-G42 PolarHBondContact O-N 3.5Å; D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.29Å; D39-S43 PolarHBondContact O-N 3.21Å; D39-S43 PolarHBondContact O-OG 3.07Å; D39-H90 IonicContact OD1-CE1 2.71Å; D39-H90 IonicContact OD1-CG 3.82Å; D39-H90 IonicContact OD1-ND1 3.2Å; D39-H90 PolarHBondContact OD1-ND1 2.93Å; D39-N93 PolarHBondContact OD2-ND2 3.03Å; D39-Q117 PolarHBondContact OD1-NE2 3.43Å; D39-D121 WeakPolarHBondContact CA-OD1 3.42Å
40	I	93.5	Very high	92.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-46.4	175.5	-69.9	172.3	0	0	0	110.8	W36 A38 S43 K44 M68 I71	W36-I40 HydrophobicContact CE3-CD1 3.71Å; W36-I40 HydrophobicContact CZ3-CD1 4.1Å; W36-I40 VanDerWaalsContact O-CG1 3.22Å; W36-I40 WeakPolarHBondContact O-CG1 3.48Å; W36-I40 PolarHBondContact O-N 3.37Å; A38-I40 PolarHBondContact O-N 3.28Å; I40-S43 PolarHBondContact O-N 3.02Å; I40-K44 HydrophobicContact CG2-CD 4.1Å; I40-K44 HydrophobicContact CG2-CG 4.44Å; I40-K44 WeakPolarHBondContact O-CG 3.32Å; I40-K44 PolarHBondContact O-N 2.96Å; I40-M68 HydrophobicContact CG1-SD 4.39Å; I40-M68 HydrophobicContact CG2-CB 4.17Å; I40-I71 HydrophobicContact CD1-CB 4.39Å; I40-I71 HydrophobicContact CD1-CG2 3.84Å; I40-I71 HydrophobicContact CG1-CG2 4.48Å
41	R	94.5	Very high	92.9	Very high	67 Å²	67	26.5 Å²	26.5	25%	0.253	12%	0.116	S	C	.	.	H	α-helix	trans	-60.1	-46.4	176.1	-77.2	-173.9	-74.9	158.7	-3.5	111.3	D37 A38 S43 K44 A45 D128 L221	D37-R41 WeakPolarHBondContact O-CB 3.38Å; D37-R41 WeakPolarHBondContact O-CG 3.48Å; D37-R41 PolarHBondContact O-N 3.23Å; D37-R41 IonicContact OD2-CZ 2.63Å; D37-R41 IonicContact OD2-NE 3.72Å; D37-R41 PolarHBondContact OD2-NE 3.46Å; D37-R41 IonicContact OD2-NH2 3.54Å; D37-R41 PolarHBondContact OD2-NH2 2.99Å; A38-R41 PolarHBondContact O-N 2.91Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.44Å; R41-K44 PolarHBondContact O-N 3.35Å; R41-A45 PolarHBondContact O-N 2.89Å; R41-D128 IonicContact CZ-OD2 3.34Å; R41-D128 VanDerWaalsContact CZ-OD2 3.28Å; R41-D128 IonicContact NH1-OD2 3.81Å; R41-D128 PolarHBondContact NH1-OD2 3.48Å; R41-D128 IonicContact NH2-OD2 3.52Å; R41-D128 PolarHBondContact NH2-OD2 2.92Å; R41-L221 HydrophobicContact CB-CD2 4.45Å; R41-L221 WeakPolarHBondContact O-CD2 3.5Å
42	G	94.1	Very high	93.1	Very high	4 Å²	4	30 Å²	30	4%	0.041	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-46.6	175.3	0	0	0	0	0	112	A38 D39 A45 Y46	A38-G42 PolarHBondContact O-N 3.44Å; D39-G42 PolarHBondContact O-N 3.5Å; G42-A45 PolarHBondContact O-N 3.45Å; G42-Y46 WeakPolarHBondContact O-CB 3.27Å; G42-Y46 PolarHBondContact O-N 3.03Å
43	S	93.8	Very high	93.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-39.7	179.2	-67.8	0	0	0	0	113.6	D39 I40 R41 Y46 V47 R112	D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.29Å; D39-S43 PolarHBondContact O-N 3.21Å; D39-S43 PolarHBondContact O-OG 3.07Å; I40-S43 PolarHBondContact O-N 3.02Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.44Å; S43-Y46 PolarHBondContact O-N 3.21Å; S43-V47 PolarHBondContact O-N 2.97Å; S43-R112 PolarHBondContact OG-NH1 3.43Å
44	K	94	Very high	93.1	Very high	47 Å²	47	34.5 Å²	34.5	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-41.1	174.3	-74	174.7	175.8	176.3	0	112.2	I40 R41 Y46 V47 K48 L65 M68 D69	I40-K44 HydrophobicContact CG2-CD 4.1Å; I40-K44 HydrophobicContact CG2-CG 4.44Å; I40-K44 WeakPolarHBondContact O-CG 3.32Å; I40-K44 PolarHBondContact O-N 2.96Å; R41-K44 PolarHBondContact O-N 3.35Å; K44-Y46 VanDerWaalsContact C-N 3.34Å; K44-V47 WeakPolarHBondContact O-CG1 3.34Å; K44-K48 WeakPolarHBondContact O-CG 3.39Å; K44-L65 HydrophobicContact CB-CD2 3.8Å; K44-L65 HydrophobicContact CG-CD2 3.81Å; K44-M68 HydrophobicContact CD-CB 4.44Å; K44-M68 HydrophobicContact CG-CB 3.92Å; K44-M68 HydrophobicContact CG-CG 4.41Å; K44-D69 WeakPolarHBondContact CE-OD1 3.25Å; K44-D69 IonicContact NZ-OD1 2.97Å; K44-D69 PolarHBondContact NZ-OD1 2.9Å
45	A	94.1	Very high	93	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-39.2	174.4	0	0	0	0	0	111.4	R41 G42 K48 A49 L217 E220 L221	R41-A45 PolarHBondContact O-N 2.89Å; G42-A45 PolarHBondContact O-N 3.45Å; A45-K48 PolarHBondContact O-N 3.16Å; A45-A49 PolarHBondContact O-N 3.11Å; A45-L217 HydrophobicContact CB-CD2 4.25Å; A45-L217 WeakPolarHBondContact O-CD2 3.26Å; A45-E220 HydrophobicContact CB-CB 3.89Å; A45-L221 HydrophobicContact CB-CD1 4.02Å; A45-L221 HydrophobicContact CB-CD2 3.52Å; A45-L221 HydrophobicContact CB-CG 3.52Å
46	Y	94.2	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-43.4	-178.5	-161.7	-107.2	0	0	0	112.9	G42 S43 K44 K48 A49 L50 L108 T110 G111 R112 L200 I212 L217	G42-Y46 WeakPolarHBondContact O-CB 3.27Å; G42-Y46 PolarHBondContact O-N 3.03Å; S43-Y46 PolarHBondContact O-N 3.21Å; K44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.19Å; Y46-A49 WeakPolarHBondContact O-CB 3.4Å; Y46-A49 PolarHBondContact O-N 3.01Å; Y46-L50 HydrophobicContact CD1-CD1 3.8Å; Y46-L50 HydrophobicContact CD1-CD2 4.42Å; Y46-L50 HydrophobicContact CD1-CG 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.77Å; Y46-L50 HydrophobicContact CE1-CD2 3.77Å; Y46-L50 HydrophobicContact CE1-CG 3.81Å; Y46-L50 WeakPolarHBondContact O-CG 3.33Å; Y46-L50 PolarHBondContact O-N 2.85Å; Y46-L108 HydrophobicContact CD1-CD1 4.42Å; Y46-L108 WeakPolarHBondContact CD1-O 3.13Å; Y46-L108 WeakPolarHBondContact CE1-O 3.45Å; Y46-T110 PolarHBondContact OH-O 3.42Å; Y46-G111 PolarHBondContact OH-O 3.31Å; Y46-G111 VanDerWaalsContact OH-O 3.08Å; Y46-R112 HydrophobicContact CD1-CB 4.43Å; Y46-R112 HydrophobicContact CE1-CB 3.69Å; Y46-R112 HydrophobicContact CE1-CG 4.27Å; Y46-R112 HydrophobicContact CE2-CB 4.43Å; Y46-R112 HydrophobicContact CE2-CG 4.48Å; Y46-R112 PolarHBondContact OH-N 3.03Å; Y46-R112 VanDerWaalsContact OH-N 3.11Å; Y46-L200 HydrophobicContact CD2-CD1 4.3Å; Y46-L200 HydrophobicContact CD2-CD2 4.02Å; Y46-L200 HydrophobicContact CD2-CG 4.13Å; Y46-I212 HydrophobicContact CE2-CD1 4Å; Y46-I212 WeakPolarHBondContact OH-CD1 3.49Å; Y46-L217 HydrophobicContact CD2-CD1 4.38Å; Y46-L217 HydrophobicContact CD2-CD2 4.34Å
47	V	93.1	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-34.3	179.2	73.2	0	0	0	0	112.7	S43 K44 A49 L50 E51 V56 M61 I64 L65 L108	S43-V47 PolarHBondContact O-N 2.97Å; K44-V47 WeakPolarHBondContact O-CG1 3.34Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 2.91Å; V47-L50 PolarHBondContact O-N 2.96Å; V47-E51 PolarHBondContact O-N 3.18Å; V47-V56 HydrophobicContact CG2-CG2 4.28Å; V47-M61 HydrophobicContact CG1-CG 4.05Å; V47-M61 HydrophobicContact CG2-CB 4.21Å; V47-M61 HydrophobicContact CG2-CG 4.02Å; V47-I64 HydrophobicContact CB-CG2 4.02Å; V47-I64 HydrophobicContact CG1-CG2 4.09Å; V47-I64 HydrophobicContact CG2-CB 3.97Å; V47-I64 HydrophobicContact CG2-CD1 3.62Å; V47-I64 HydrophobicContact CG2-CG1 4.4Å; V47-I64 HydrophobicContact CG2-CG2 3.87Å; V47-L65 HydrophobicContact CG1-CD2 3.57Å; V47-L65 HydrophobicContact CG1-CG 3.9Å; V47-L108 HydrophobicContact CB-CD1 3.96Å
48	K	92.6	Very high	92.7	Very high	67 Å²	67	33.8 Å²	33.8	29%	0.291	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-38.3	172.7	-66.5	177	179.1	-174.3	0	112	K44 A45 Y46 E51 K52 M61 E220	K44-K48 WeakPolarHBondContact O-CG 3.39Å; A45-K48 PolarHBondContact O-N 3.16Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.19Å; K48-E51 PolarHBondContact O-N 2.96Å; K48-K52 PolarHBondContact O-N 3.45Å; K48-K52 VanDerWaalsContact O-N 3.15Å; K48-M61 HydrophobicContact CG-SD 4.15Å; K48-E220 HydrophobicContact CD-CG 4.34Å; K48-E220 WeakPolarHBondContact CD-OE2 3.43Å; K48-E220 VanDerWaalsContact NZ-CD 3.3Å; K48-E220 IonicContact NZ-OE1 2.69Å; K48-E220 PolarHBondContact NZ-OE1 3Å; K48-E220 IonicContact NZ-OE2 2.54Å; K48-E220 PolarHBondContact NZ-OE2 3.44Å
49	A	91.5	Very high	92.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.3	-33.5	176.5	0	0	0	0	0	112.3	A45 Y46 V47 A53 I212 L216 L217	A45-A49 PolarHBondContact O-N 3.11Å; Y46-A49 WeakPolarHBondContact O-CB 3.4Å; Y46-A49 PolarHBondContact O-N 3.01Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 2.91Å; A49-A53 WeakPolarHBondContact O-CB 3.22Å; A49-A53 PolarHBondContact O-N 2.89Å; A49-A53 VanDerWaalsContact O-N 3.07Å; A49-I212 HydrophobicContact CB-CG2 3.85Å; A49-L216 HydrophobicContact CB-CD2 4.27Å; A49-L217 HydrophobicContact CB-CD1 4.39Å; A49-L217 HydrophobicContact CB-CD2 3.55Å; A49-L217 HydrophobicContact CB-CG 3.85Å
50	L	92	Very high	92.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-38.9	172	-67.1	177.5	0	0	0	112.3	Y46 V47 A53 N54 L55 V56 T110 I212	Y46-L50 HydrophobicContact CD1-CD1 3.8Å; Y46-L50 HydrophobicContact CD1-CD2 4.42Å; Y46-L50 HydrophobicContact CD1-CG 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.77Å; Y46-L50 HydrophobicContact CE1-CD2 3.77Å; Y46-L50 HydrophobicContact CE1-CG 3.81Å; Y46-L50 WeakPolarHBondContact O-CG 3.33Å; Y46-L50 PolarHBondContact O-N 2.85Å; V47-L50 PolarHBondContact O-N 2.96Å; L50-A53 CarbonylContact O-C 3.55Å; L50-A53 PolarHBondContact O-N 3.5Å; L50-N54 PolarHBondContact O-N 3.25Å; L50-L55 HydrophobicContact CB-CB 4.39Å; L50-L55 HydrophobicContact CD2-CB 4.32Å; L50-L55 HydrophobicContact CD2-CD1 3.68Å; L50-L55 PolarHBondContact O-N 2.66Å; L50-V56 HydrophobicContact CB-CG1 4.29Å; L50-V56 HydrophobicContact CB-CG2 3.83Å; L50-V56 HydrophobicContact CD1-CG1 4.47Å; L50-T110 WeakPolarHBondContact CD2-O 3.21Å; L50-I212 HydrophobicContact CD2-CD1 4.13Å
51	E	93.3	Very high	92.3	Very high	58 Å²	58	43.5 Å²	43.5	27%	0.271	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-47.7	177.8	-169.1	-86.4	172.5	0	0	110.5	V47 K48 A53 N54 V56 T58 M61	V47-E51 PolarHBondContact O-N 3.18Å; K48-E51 PolarHBondContact O-N 2.96Å; E51-A53 PolarHBondContact O-N 2.85Å; E51-N54 WeakPolarHBondContact O-CA 3.2Å; E51-N54 PolarHBondContact O-N 2.87Å; E51-V56 HydrophobicContact CB-CG2 3.82Å; E51-T58 PolarHBondContact OE1-OG1 2.93Å; E51-M61 HydrophobicContact CB-CB 4.21Å; E51-M61 HydrophobicContact CB-CG 4.25Å; E51-M61 HydrophobicContact CB-SD 3.75Å; E51-M61 HydrophobicContact CG-CB 4.16Å; E51-M61 HydrophobicContact CG-CG 4.49Å; E51-M61 HydrophobicContact CG-SD 3.83Å
52	K	91.4	Very high	92.3	Very high	110 Å²	110	45.2 Å²	45.2	48%	0.478	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-32.1	175.2	-170.2	175.6	179.8	-174.8	0	113.1	K48 N54 D213 L216	K48-K52 PolarHBondContact O-N 3.45Å; K48-K52 VanDerWaalsContact O-N 3.15Å; K52-N54 PolarHBondContact O-N 3.02Å; K52-D213 HydrophobicContact CD-CB 4.42Å; K52-D213 IonicContact NZ-OD2 3.72Å; K52-D213 PolarHBondContact NZ-OD2 3.42Å; K52-L216 HydrophobicContact CB-CD2 4.32Å; K52-L216 HydrophobicContact CD-CD2 3.74Å
53	A	90.3	Very high	92.2	Very high	20 Å²	20	49.1 Å²	49.1	17%	0.165	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.1	174.3	0	0	0	0	0	113.6	A49 L50 E51 L55 D211	A49-A53 WeakPolarHBondContact O-CB 3.22Å; A49-A53 PolarHBondContact O-N 2.89Å; A49-A53 VanDerWaalsContact O-N 3.07Å; L50-A53 CarbonylContact O-C 3.55Å; L50-A53 PolarHBondContact O-N 3.5Å; E51-A53 PolarHBondContact O-N 2.85Å; A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 HydrophobicContact CB-CD1 4.19Å; A53-L55 HydrophobicContact CB-CG 4.2Å; A53-L55 PolarHBondContact O-N 3.19Å; A53-D211 WeakPolarHBondContact CB-O 3.49Å
54	N	90.7	Very high	92.1	Very high	148 Å²	148	49 Å²	49	79%	0.791	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	30	-176.5	-55.3	-75.2	0	0	0	114.3	L50 E51 K52	L50-N54 PolarHBondContact O-N 3.25Å; E51-N54 WeakPolarHBondContact O-CA 3.2Å; E51-N54 PolarHBondContact O-N 2.87Å; K52-N54 PolarHBondContact O-N 3.02Å
55	L	89.9	Confident	92	Very high	54 Å²	54	48.4 Å²	48.4	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	-93.1	-21.3	178	-66.1	174.9	0	0	0	113	L50 A53 T110 F210	L50-L55 HydrophobicContact CB-CB 4.39Å; L50-L55 HydrophobicContact CD2-CB 4.32Å; L50-L55 HydrophobicContact CD2-CD1 3.68Å; L50-L55 PolarHBondContact O-N 2.66Å; A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 HydrophobicContact CB-CD1 4.19Å; A53-L55 HydrophobicContact CB-CG 4.2Å; A53-L55 PolarHBondContact O-N 3.19Å; L55-T110 HydrophobicContact CD1-CG2 4.17Å; L55-F210 HydrophobicContact CD1-CB 3.9Å; L55-F210 HydrophobicContact CD1-CD1 4.04Å; L55-F210 HydrophobicContact CD1-CD2 4.24Å; L55-F210 HydrophobicContact CD1-CG 3.8Å; L55-F210 HydrophobicContact CD2-CD1 4.04Å; L55-F210 HydrophobicContact CD2-CE1 4.27Å
56	V	90.3	Very high	92	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	27%	0.273	C	S	.	.	S	Bend	trans	-131.8	148.6	173.1	-62.7	0	0	0	0	109.1	V47 L50 E51 E60 M61 K107	V47-V56 HydrophobicContact CG2-CG2 4.28Å; L50-V56 HydrophobicContact CB-CG1 4.29Å; L50-V56 HydrophobicContact CB-CG2 3.83Å; L50-V56 HydrophobicContact CD1-CG1 4.47Å; E51-V56 HydrophobicContact CB-CG2 3.82Å; V56-E60 HydrophobicContact CB-CB 4.26Å; V56-M61 HydrophobicContact CG2-CB 4.4Å; V56-K107 HydrophobicContact CG1-CB 3.93Å; V56-K107 HydrophobicContact CG1-CD 4.18Å
57	S	92.1	Very high	91.9	Very high	50 Å²	50	54.5 Å²	54.5	35%	0.35	28%	0.275	S	S	.	.			trans	-74.5	160.5	171.7	72.9	0	0	0	0	111	E59 E60 M61	S57-E59 PolarHBondContact O-N 3.46Å; S57-E60 PolarHBondContact N-OE2 3.12Å; S57-E60 VanDerWaalsContact N-OE2 3.13Å; S57-E60 PolarHBondContact O-N 2.86Å; S57-E60 VanDerWaalsContact O-N 3.11Å; S57-E60 VanDerWaalsContact OG-CG 3.32Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 3.45Å; S57-E60 VanDerWaalsContact OG-N 3.16Å; S57-M61 PolarHBondContact O-N 2.95Å
58	T	92.3	Very high	91.9	Very high	68 Å²	68	54.6 Å²	54.6	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-57.9	-37.4	174.7	-44.5	0	0	0	0	111.8	E51 M61 E62	E51-T58 PolarHBondContact OE1-OG1 2.93Å; T58-M61 HydrophobicContact CG2-CE 4.12Å; T58-M61 WeakPolarHBondContact O-CB 3.29Å; T58-M61 PolarHBondContact O-N 3.26Å; T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.16Å
59	E	91.8	Very high	92	Very high	144 Å²	144	55.1 Å²	55.1	67%	0.673	28%	0.281	S	S	*	.	H	α-helix	trans	-63.9	-42.7	175.1	-64.8	169.9	-179.3	0	0	112	S57 E62 Q63	S57-E59 PolarHBondContact O-N 3.46Å; E59-E62 PolarHBondContact O-N 3.36Å; E59-Q63 VanDerWaalsContact O-CG 3.31Å; E59-Q63 WeakPolarHBondContact O-CG 3.21Å; E59-Q63 PolarHBondContact O-N 3.07Å
60	E	90.8	Very high	92	Very high	38 Å²	38	59.3 Å²	59.3	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-39.2	176.4	-72.1	178.3	143.2	0	0	111.6	V56 S57 Q63 I64 P104 K107	V56-E60 HydrophobicContact CB-CB 4.26Å; S57-E60 PolarHBondContact N-OE2 3.12Å; S57-E60 VanDerWaalsContact N-OE2 3.13Å; S57-E60 PolarHBondContact O-N 2.86Å; S57-E60 VanDerWaalsContact O-N 3.11Å; S57-E60 VanDerWaalsContact OG-CG 3.32Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 3.45Å; S57-E60 VanDerWaalsContact OG-N 3.16Å; E60-Q63 PolarHBondContact O-N 3.16Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 2.81Å; E60-P104 HydrophobicContact CG-CB 4.34Å; E60-K107 WeakPolarHBondContact OE1-CE 3.5Å; E60-K107 IonicContact OE1-NZ 3.56Å; E60-K107 PolarHBondContact OE1-NZ 2.71Å; E60-K107 IonicContact OE2-NZ 2.73Å; E60-K107 PolarHBondContact OE2-NZ 3.47Å
61	M	92.4	Very high	92	Very high	26 Å²	26	59.3 Å²	59.3	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-49.6	174.4	-179.8	-162.6	66.5	0	0	111	V47 K48 E51 V56 S57 T58 Q63 I64 L65	V47-M61 HydrophobicContact CG1-CG 4.05Å; V47-M61 HydrophobicContact CG2-CB 4.21Å; V47-M61 HydrophobicContact CG2-CG 4.02Å; K48-M61 HydrophobicContact CG-SD 4.15Å; E51-M61 HydrophobicContact CB-CB 4.21Å; E51-M61 HydrophobicContact CB-CG 4.25Å; E51-M61 HydrophobicContact CB-SD 3.75Å; E51-M61 HydrophobicContact CG-CB 4.16Å; E51-M61 HydrophobicContact CG-CG 4.49Å; E51-M61 HydrophobicContact CG-SD 3.83Å; V56-M61 HydrophobicContact CG2-CB 4.4Å; S57-M61 PolarHBondContact O-N 2.95Å; T58-M61 HydrophobicContact CG2-CE 4.12Å; T58-M61 WeakPolarHBondContact O-CB 3.29Å; T58-M61 PolarHBondContact O-N 3.26Å; M61-Q63 VanDerWaalsContact C-N 3.33Å; M61-Q63 PolarHBondContact O-N 3.01Å; M61-I64 PolarHBondContact O-N 3.19Å; M61-L65 HydrophobicContact CE-CD1 4.38Å; M61-L65 HydrophobicContact CG-CD1 4.06Å; M61-L65 HydrophobicContact CG-CG 4.38Å; M61-L65 WeakPolarHBondContact O-CG 3.22Å; M61-L65 PolarHBondContact O-N 3.49Å; M61-L65 HydrophobicContact SD-CD1 4.43Å
62	E	92.7	Very high	92	Very high	102 Å²	102	57.9 Å²	57.9	48%	0.477	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-41.4	179.1	-75	-179.3	-178.5	0	0	112.2	T58 E59 I64 L65 Q66	T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.16Å; E59-E62 PolarHBondContact O-N 3.36Å; E62-I64 PolarHBondContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 2.69Å; E62-Q66 WeakPolarHBondContact O-CB 3.24Å; E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.34Å; E62-Q66 PolarHBondContact O-N 3.29Å
63	Q	92	Very high	92.1	Very high	86 Å²	86	57.6 Å²	57.6	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-45.4	174.7	-73.6	174.7	6.6	0	0	111.9	E59 E60 M61 G67 I101	E59-Q63 VanDerWaalsContact O-CG 3.31Å; E59-Q63 WeakPolarHBondContact O-CG 3.21Å; E59-Q63 PolarHBondContact O-N 3.07Å; E60-Q63 PolarHBondContact O-N 3.16Å; M61-Q63 VanDerWaalsContact C-N 3.33Å; M61-Q63 PolarHBondContact O-N 3.01Å; Q63-G67 PolarHBondContact O-N 2.82Å; Q63-I101 HydrophobicContact CB-CG2 4.49Å
64	I	91.8	Very high	92.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177.7	-69.4	164.4	0	0	0	111.1	V47 E60 M61 E62 G67 M68 L97 I101 L108	V47-I64 HydrophobicContact CB-CG2 4.02Å; V47-I64 HydrophobicContact CG1-CG2 4.09Å; V47-I64 HydrophobicContact CG2-CB 3.97Å; V47-I64 HydrophobicContact CG2-CD1 3.62Å; V47-I64 HydrophobicContact CG2-CG1 4.4Å; V47-I64 HydrophobicContact CG2-CG2 3.87Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 2.81Å; M61-I64 PolarHBondContact O-N 3.19Å; E62-I64 PolarHBondContact O-N 3.11Å; I64-G67 PolarHBondContact O-N 3.14Å; I64-M68 HydrophobicContact CG2-CG 4.39Å; I64-M68 WeakPolarHBondContact O-CB 3.32Å; I64-M68 VanDerWaalsContact O-CG 3.27Å; I64-M68 WeakPolarHBondContact O-CG 3.33Å; I64-M68 PolarHBondContact O-N 2.98Å; I64-L97 HydrophobicContact CG2-CD2 4.36Å; I64-I101 HydrophobicContact CB-CD1 4.31Å; I64-I101 HydrophobicContact CG1-CD1 3.49Å; I64-I101 VanDerWaalsContact CG1-CD1 3.49Å; I64-L108 HydrophobicContact CG2-CD1 4.25Å
65	L	93.2	Very high	92.2	Very high	33 Å²	33	52.3 Å²	52.3	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-47.6	178.4	-71	175.8	0	0	0	111.6	K44 V47 M61 E62 M68 D69	K44-L65 HydrophobicContact CB-CD2 3.8Å; K44-L65 HydrophobicContact CG-CD2 3.81Å; V47-L65 HydrophobicContact CG1-CD2 3.57Å; V47-L65 HydrophobicContact CG1-CG 3.9Å; M61-L65 HydrophobicContact CE-CD1 4.38Å; M61-L65 HydrophobicContact CG-CD1 4.06Å; M61-L65 HydrophobicContact CG-CG 4.38Å; M61-L65 WeakPolarHBondContact O-CG 3.22Å; M61-L65 PolarHBondContact O-N 3.49Å; M61-L65 HydrophobicContact SD-CD1 4.43Å; E62-L65 PolarHBondContact O-N 2.69Å; L65-M68 WeakPolarHBondContact O-CB 3.37Å; L65-M68 PolarHBondContact O-N 3.29Å; L65-D69 PolarHBondContact O-N 3.36Å
66	Q	93.1	Very high	92.2	Very high	129 Å²	129	53.5 Å²	53.5	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-63.1	-42.1	177.2	-71	174.5	10.2	0	0	112.1	E62 M68 D69 Q70	E62-Q66 WeakPolarHBondContact O-CB 3.24Å; E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.34Å; E62-Q66 PolarHBondContact O-N 3.29Å; Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 2.97Å; Q66-D69 PolarHBondContact O-N 2.97Å; Q66-Q70 PolarHBondContact O-N 3.13Å
67	G	93.1	Very high	92.3	Very high	3 Å²	3	60 Å²	60	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-41.2	174.7	0	0	0	0	0	112.1	Q63 I64 Q70 I71	Q63-G67 PolarHBondContact O-N 2.82Å; I64-G67 PolarHBondContact O-N 3.14Å; G67-Q70 PolarHBondContact O-N 3.04Å; G67-I71 VanDerWaalsContact O-CG1 3.26Å; G67-I71 WeakPolarHBondContact O-CG1 3.39Å; G67-I71 PolarHBondContact O-N 3.06Å
68	M	92.6	Very high	92.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-36.1	176.1	-74.9	-61.1	-177.9	0	0	113.2	I40 K44 I64 L65 Q66 I71 S72 L97 L108	I40-M68 HydrophobicContact CG1-SD 4.39Å; I40-M68 HydrophobicContact CG2-CB 4.17Å; K44-M68 HydrophobicContact CD-CB 4.44Å; K44-M68 HydrophobicContact CG-CB 3.92Å; K44-M68 HydrophobicContact CG-CG 4.41Å; I64-M68 HydrophobicContact CG2-CG 4.39Å; I64-M68 WeakPolarHBondContact O-CB 3.32Å; I64-M68 VanDerWaalsContact O-CG 3.27Å; I64-M68 WeakPolarHBondContact O-CG 3.33Å; I64-M68 PolarHBondContact O-N 2.98Å; L65-M68 WeakPolarHBondContact O-CB 3.37Å; L65-M68 PolarHBondContact O-N 3.29Å; Q66-M68 VanDerWaalsContact C-N 3.3Å; Q66-M68 PolarHBondContact O-N 2.97Å; M68-I71 PolarHBondContact O-N 2.76Å; M68-I71 HydrophobicContact SD-CD1 4.21Å; M68-S72 WeakPolarHBondContact O-CB 3.37Å; M68-S72 PolarHBondContact O-N 3.03Å; M68-L97 HydrophobicContact CE-CB 4.5Å; M68-L97 HydrophobicContact CE-CD1 4.17Å; M68-L97 HydrophobicContact CE-CD2 3.6Å; M68-L97 HydrophobicContact CE-CG 4.3Å; M68-L97 HydrophobicContact CG-CD1 4.18Å; M68-L97 HydrophobicContact SD-CD1 4.28Å; M68-L108 HydrophobicContact CE-CD2 3.35Å
69	D	93.9	Very high	92	Very high	79 Å²	79	60.4 Å²	60.4	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-44.7	171.4	-75.1	-36.2	0	0	0	111.3	K44 L65 Q66 I71 S72 E73	K44-D69 WeakPolarHBondContact CE-OD1 3.25Å; K44-D69 IonicContact NZ-OD1 2.97Å; K44-D69 PolarHBondContact NZ-OD1 2.9Å; L65-D69 PolarHBondContact O-N 3.36Å; Q66-D69 PolarHBondContact O-N 2.97Å; D69-I71 PolarHBondContact O-N 2.96Å; D69-S72 WeakPolarHBondContact O-CB 3.45Å; D69-S72 PolarHBondContact O-N 2.54Å; D69-E73 PolarHBondContact O-N 3.09Å
70	Q	93.1	Very high	91.8	Very high	88 Å²	88	54.4 Å²	54.4	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.8	-174.3	179.5	-21.8	0	0	112	Q66 G67 S72 E73 E74 L100	Q66-Q70 PolarHBondContact O-N 3.13Å; G67-Q70 PolarHBondContact O-N 3.04Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 3.25Å; Q70-E73 WeakPolarHBondContact O-CB 3.3Å; Q70-E73 PolarHBondContact O-N 2.69Å; Q70-E74 PolarHBondContact NE2-OE1 3.43Å; Q70-E74 WeakPolarHBondContact O-CG 3.2Å; Q70-E74 PolarHBondContact O-N 2.94Å; Q70-L100 HydrophobicContact CB-CD1 4.2Å; Q70-L100 HydrophobicContact CG-CD1 4.19Å; Q70-L100 VanDerWaalsContact NE2-CD2 3.3Å
71	I	91.7	Very high	91.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-40.1	176.5	-67.1	165.2	0	0	0	110.9	I40 G67 M68 D69 E73 E74 W75 F80 R96 L97 L100	I40-I71 HydrophobicContact CD1-CB 4.39Å; I40-I71 HydrophobicContact CD1-CG2 3.84Å; I40-I71 HydrophobicContact CG1-CG2 4.48Å; G67-I71 VanDerWaalsContact O-CG1 3.26Å; G67-I71 WeakPolarHBondContact O-CG1 3.39Å; G67-I71 PolarHBondContact O-N 3.06Å; M68-I71 PolarHBondContact O-N 2.76Å; M68-I71 HydrophobicContact SD-CD1 4.21Å; D69-I71 PolarHBondContact O-N 2.96Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 3.18Å; I71-E74 PolarHBondContact O-N 3.41Å; I71-W75 VanDerWaalsContact O-CD1 3.28Å; I71-W75 PolarHBondContact O-N 3.23Å; I71-F80 HydrophobicContact CG2-CD2 4.28Å; I71-F80 HydrophobicContact CG2-CE2 4.01Å; I71-R96 HydrophobicContact CD1-CB 4.13Å; I71-R96 HydrophobicContact CD1-CG 4.12Å; I71-R96 HydrophobicContact CG1-CB 4.23Å; I71-R96 HydrophobicContact CG1-CG 3.72Å; I71-L97 HydrophobicContact CD1-CB 3.83Å; I71-L97 HydrophobicContact CD1-CD1 4.03Å; I71-L100 HydrophobicContact CD1-CD1 4.24Å; I71-L100 HydrophobicContact CG1-CD1 3.78Å
72	S	92.7	Very high	91.3	Very high	28 Å²	28	61.2 Å²	61.2	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.5	-176.3	0	0	0	0	112	M68 D69 Q70 S76	M68-S72 WeakPolarHBondContact O-CB 3.37Å; M68-S72 PolarHBondContact O-N 3.03Å; D69-S72 WeakPolarHBondContact O-CB 3.45Å; D69-S72 PolarHBondContact O-N 2.54Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 3.25Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 3.15Å; S72-S76 PolarHBondContact O-OG 3.23Å
73	E	93.3	Very high	90.9	Very high	104 Å²	104	60.7 Å²	60.7	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-40.4	172.8	-75	-164.6	-160.6	0	0	112.9	D69 Q70 I71 S76 K77	D69-E73 PolarHBondContact O-N 3.09Å; Q70-E73 WeakPolarHBondContact O-CB 3.3Å; Q70-E73 PolarHBondContact O-N 2.69Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 3.18Å; E73-S76 WeakPolarHBondContact CA-OG 3.47Å; E73-S76 PolarHBondContact O-OG 2.75Å; E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CG 3.29Å; E73-K77 WeakPolarHBondContact O-CG 3.23Å; E73-K77 PolarHBondContact O-N 3.4Å; E73-K77 IonicContact OE2-NZ 3.38Å; E73-K77 PolarHBondContact OE2-NZ 3.06Å
74	E	92.6	Very high	90	Very high	28 Å²	28	63.2 Å²	63.2	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-42.2	178.4	-72.5	177.3	-167.4	0	0	111.7	Q70 I71 G78 A79 F80 R96	Q70-E74 PolarHBondContact NE2-OE1 3.43Å; Q70-E74 WeakPolarHBondContact O-CG 3.2Å; Q70-E74 PolarHBondContact O-N 2.94Å; I71-E74 PolarHBondContact O-N 3.41Å; E74-G78 PolarHBondContact O-N 2.98Å; E74-A79 PolarHBondContact O-N 2.9Å; E74-F80 HydrophobicContact CB-CB 4.26Å; E74-F80 HydrophobicContact CB-CD2 4.37Å; E74-F80 PolarHBondContact O-N 3.3Å; E74-R96 VanDerWaalsContact CD-NH2 3.35Å; E74-R96 IonicContact OE1-CZ 2.8Å; E74-R96 IonicContact OE1-NE 3.82Å; E74-R96 IonicContact OE1-NH2 2.74Å; E74-R96 PolarHBondContact OE1-NH2 3.31Å; E74-R96 IonicContact OE2-CZ 2.99Å; E74-R96 IonicContact OE2-NE 2.68Å; E74-R96 PolarHBondContact OE2-NE 3.02Å; E74-R96 IonicContact OE2-NH2 3.23Å; E74-R96 PolarHBondContact OE2-NH2 2.86Å
75	W	91.4	Very high	89.2	Confident	28 Å²	28	65.4 Å²	65.4	11%	0.106	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-48.1	174.8	-83.6	112.7	0	0	0	112.4	Q33 W36 I71 K77 G78 F80 I82 I89 N93	Q33-W75 HydrophobicContact CB-CH2 4.16Å; Q33-W75 HydrophobicContact CB-CZ3 4.34Å; W36-W75 HydrophobicContact CB-CD2 3.9Å; W36-W75 HydrophobicContact CB-CE3 4.39Å; W36-W75 HydrophobicContact CB-CG 4.05Å; W36-W75 HydrophobicContact CB-CZ2 4.44Å; W36-W75 HydrophobicContact CD2-CB 3.49Å; W36-W75 VanDerWaalsContact CD2-CB 3.49Å; W36-W75 HydrophobicContact CD2-CD2 4.25Å; W36-W75 AromaticContact CD2-CG 3.73Å; W36-W75 HydrophobicContact CD2-CG 3.73Å; W36-W75 HydrophobicContact CE3-CB 3.44Å; W36-W75 VanDerWaalsContact CE3-CB 3.44Å; W36-W75 AromaticContact CE3-CD1 3.96Å; W36-W75 AromaticContact CE3-CG 3.77Å; W36-W75 HydrophobicContact CE3-CG 3.77Å; W36-W75 HydrophobicContact CG-CB 4.09Å; W36-W75 AromaticContact CG-CD2 3.88Å; W36-W75 HydrophobicContact CG-CD2 3.88Å; W36-W75 HydrophobicContact CG-CE3 4.15Å; W36-W75 AromaticContact CG-CG 3.85Å; W36-W75 HydrophobicContact CG-CG 3.85Å; W36-W75 HydrophobicContact CH2-CB 4.02Å; W36-W75 HydrophobicContact CZ2-CB 4.05Å; W36-W75 HydrophobicContact CZ3-CB 3.72Å; W36-W75 HydrophobicContact CZ3-CG 4.49Å; I71-W75 VanDerWaalsContact O-CD1 3.28Å; I71-W75 PolarHBondContact O-N 3.23Å; W75-K77 VanDerWaalsContact C-N 3.27Å; W75-K77 PolarHBondContact O-N 2.81Å; W75-G78 PolarHBondContact O-N 3.25Å; W75-F80 AromaticContact CD1-CD2 3.81Å; W75-F80 HydrophobicContact CD2-CB 3.85Å; W75-F80 HydrophobicContact CD2-CD1 4.29Å; W75-F80 HydrophobicContact CD2-CD2 4.25Å; W75-F80 AromaticContact CD2-CG 3.88Å; W75-F80 HydrophobicContact CD2-CG 3.88Å; W75-F80 AromaticContact CE2-CD1 3.66Å; W75-F80 AromaticContact CE2-CD2 3.71Å; W75-F80 AromaticContact CE2-CE1 3.99Å; W75-F80 AromaticContact CE2-CE2 4Å; W75-F80 AromaticContact CE2-CG 3.52Å; W75-F80 HydrophobicContact CE3-CB 4.11Å; W75-F80 HydrophobicContact CE3-CG 4.41Å; W75-F80 HydrophobicContact CG-CB 4.18Å; W75-F80 HydrophobicContact CG-CD2 4.3Å; W75-F80 HydrophobicContact CG-CG 4.31Å; W75-F80 AromaticContact CH2-CD1 3.74Å; W75-F80 HydrophobicContact CH2-CD1 3.74Å; W75-F80 HydrophobicContact CH2-CE1 4.13Å; W75-F80 HydrophobicContact CH2-CG 4.31Å; W75-F80 HydrophobicContact CZ2-CB 4.46Å; W75-F80 AromaticContact CZ2-CD1 3.35Å; W75-F80 HydrophobicContact CZ2-CD1 3.35Å; W75-F80 HydrophobicContact CZ2-CD2 4.22Å; W75-F80 AromaticContact CZ2-CE1 3.48Å; W75-F80 HydrophobicContact CZ2-CE1 3.48Å; W75-F80 VanDerWaalsContact CZ2-CE1 3.48Å; W75-F80 HydrophobicContact CZ2-CE2 4.28Å; W75-F80 AromaticContact CZ2-CG 3.76Å; W75-F80 HydrophobicContact CZ2-CG 3.76Å; W75-F80 AromaticContact CZ2-CZ 3.95Å; W75-F80 HydrophobicContact CZ2-CZ 3.95Å; W75-F80 HydrophobicContact CZ3-CD1 4.34Å; W75-F80 AromaticContact NE1-CD2 3.43Å; W75-F80 AromaticContact NE1-CE2 3.55Å; W75-F80 AromaticContact NE1-CG 3.77Å; W75-I82 HydrophobicContact CH2-CD1 4.03Å; W75-I82 HydrophobicContact CH2-CG1 4Å; W75-I89 HydrophobicContact CH2-CD1 3.9Å; W75-I89 HydrophobicContact CZ2-CD1 3.33Å; W75-N93 PolarHBondContact NE1-OD1 3.15Å
76	S	90.2	Very high	88.7	Confident	79 Å²	79	64.1 Å²	64.1	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-64	-30.6	-179.2	57.1	0	0	0	0	113.4	S72 E73	S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 3.15Å; S72-S76 PolarHBondContact O-OG 3.23Å; E73-S76 WeakPolarHBondContact CA-OG 3.47Å; E73-S76 PolarHBondContact O-OG 2.75Å
77	K	92.1	Very high	88.1	Confident	145 Å²	145	58.9 Å²	58.9	63%	0.63	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.6	174.8	-67.1	168.2	-174.4	161.7	0	113.5	E73 W75 A79	E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CG 3.29Å; E73-K77 WeakPolarHBondContact O-CG 3.23Å; E73-K77 PolarHBondContact O-N 3.4Å; E73-K77 IonicContact OE2-NZ 3.38Å; E73-K77 PolarHBondContact OE2-NZ 3.06Å; W75-K77 VanDerWaalsContact C-N 3.27Å; W75-K77 PolarHBondContact O-N 2.81Å; K77-A79 HydrophobicContact CB-CB 4.45Å; K77-A79 PolarHBondContact O-N 3.25Å
78	G	88.8	Confident	87.8	Confident	65 Å²	65	59.3 Å²	59.3	67%	0.67	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	21.3	-173.7	0	0	0	0	0	113.8	E74 W75	E74-G78 PolarHBondContact O-N 2.98Å; W75-G78 PolarHBondContact O-N 3.25Å
79	A	88.3	Confident	87.7	Confident	63 Å²	63	59.3 Å²	59.3	52%	0.521	35%	0.345	S	S	.	.			trans	-89.4	-12.4	179.9	0	0	0	0	0	112.8	E74 K77 L81	E74-A79 PolarHBondContact O-N 2.9Å; K77-A79 HydrophobicContact CB-CB 4.45Å; K77-A79 PolarHBondContact O-N 3.25Å; A79-L81 PolarHBondContact O-N 2.93Å
80	F	87.1	Confident	87.5	Confident	17 Å²	17	55.8 Å²	55.8	8%	0.075	33%	0.326	C	S	.	.			trans	-65.9	125.6	178.5	-167.7	-79.9	0	0	0	111.1	I71 E74 W75 I82 A92 R96	I71-F80 HydrophobicContact CG2-CD2 4.28Å; I71-F80 HydrophobicContact CG2-CE2 4.01Å; E74-F80 HydrophobicContact CB-CB 4.26Å; E74-F80 HydrophobicContact CB-CD2 4.37Å; E74-F80 PolarHBondContact O-N 3.3Å; W75-F80 AromaticContact CD1-CD2 3.81Å; W75-F80 HydrophobicContact CD2-CB 3.85Å; W75-F80 HydrophobicContact CD2-CD1 4.29Å; W75-F80 HydrophobicContact CD2-CD2 4.25Å; W75-F80 AromaticContact CD2-CG 3.88Å; W75-F80 HydrophobicContact CD2-CG 3.88Å; W75-F80 AromaticContact CE2-CD1 3.66Å; W75-F80 AromaticContact CE2-CD2 3.71Å; W75-F80 AromaticContact CE2-CE1 3.99Å; W75-F80 AromaticContact CE2-CE2 4Å; W75-F80 AromaticContact CE2-CG 3.52Å; W75-F80 HydrophobicContact CE3-CB 4.11Å; W75-F80 HydrophobicContact CE3-CG 4.41Å; W75-F80 HydrophobicContact CG-CB 4.18Å; W75-F80 HydrophobicContact CG-CD2 4.3Å; W75-F80 HydrophobicContact CG-CG 4.31Å; W75-F80 AromaticContact CH2-CD1 3.74Å; W75-F80 HydrophobicContact CH2-CD1 3.74Å; W75-F80 HydrophobicContact CH2-CE1 4.13Å; W75-F80 HydrophobicContact CH2-CG 4.31Å; W75-F80 HydrophobicContact CZ2-CB 4.46Å; W75-F80 AromaticContact CZ2-CD1 3.35Å; W75-F80 HydrophobicContact CZ2-CD1 3.35Å; W75-F80 HydrophobicContact CZ2-CD2 4.22Å; W75-F80 AromaticContact CZ2-CE1 3.48Å; W75-F80 HydrophobicContact CZ2-CE1 3.48Å; W75-F80 VanDerWaalsContact CZ2-CE1 3.48Å; W75-F80 HydrophobicContact CZ2-CE2 4.28Å; W75-F80 AromaticContact CZ2-CG 3.76Å; W75-F80 HydrophobicContact CZ2-CG 3.76Å; W75-F80 AromaticContact CZ2-CZ 3.95Å; W75-F80 HydrophobicContact CZ2-CZ 3.95Å; W75-F80 HydrophobicContact CZ3-CD1 4.34Å; W75-F80 AromaticContact NE1-CD2 3.43Å; W75-F80 AromaticContact NE1-CE2 3.55Å; W75-F80 AromaticContact NE1-CG 3.77Å; F80-I82 HydrophobicContact CD1-CG1 4.23Å; F80-I82 HydrophobicContact CE1-CG1 4.35Å; F80-A92 HydrophobicContact CE1-CB 4.08Å; F80-A92 HydrophobicContact CZ-CB 4.08Å; F80-R96 HydrophobicContact CD2-CG 4.26Å; F80-R96 HydrophobicContact CE2-CB 3.5Å; F80-R96 VanDerWaalsContact CE2-CB 3.5Å; F80-R96 HydrophobicContact CE2-CG 3.58Å; F80-R96 HydrophobicContact CZ-CB 3.82Å; F80-R96 HydrophobicContact CZ-CG 4.31Å
81	L	86.5	Confident	87.2	Confident	137 Å²	137	52.6 Å²	52.6	72%	0.717	31%	0.313	S	S	*	.			trans	-99.8	109.2	178.6	-65	174.2	0	0	0	110.3	A79 R95	A79-L81 PolarHBondContact O-N 2.93Å; L81-R95 PolarHBondContact O-NH2 2.82Å
82	I	86.5	Confident	87.1	Confident	70 Å²	70	52.6 Å²	52.6	36%	0.359	31%	0.313	S	S	.	.			trans	-69.5	128.3	168.8	-58.5	170.3	0	0	0	108.1	I29 W75 F80 D86	I29-I82 HydrophobicContact CG1-CD1 4.15Å; I29-I82 HydrophobicContact CG1-CG2 3.74Å; W75-I82 HydrophobicContact CH2-CD1 4.03Å; W75-I82 HydrophobicContact CH2-CG1 4Å; F80-I82 HydrophobicContact CD1-CG1 4.23Å; F80-I82 HydrophobicContact CE1-CG1 4.35Å; I82-D86 HydrophobicContact CG2-CB 4.28Å
83	K	84.4	Confident	87	Confident	91 Å²	91	51.3 Å²	51.3	40%	0.396	30%	0.304	S	S	.	.			trans	-104.3	150	-177.9	-69.8	-175.2	-176.4	170.9	0	111.1	G85 D86 E99	K83-G85 PolarHBondContact O-N 2.88Å; K83-D86 PolarHBondContact N-OD2 3.44Å; K83-D86 WeakPolarHBondContact O-CB 3.36Å; K83-D86 PolarHBondContact O-N 2.99Å; K83-D86 VanDerWaalsContact O-N 3.07Å; K83-E99 IonicContact NZ-OE1 2.96Å; K83-E99 PolarHBondContact NZ-OE1 2.59Å; K83-E99 IonicContact NZ-OE2 3.65Å
84	P	74.6	Confident	86.7	Confident	139 Å²	139	47.8 Å²	47.8	90%	0.903	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	122.4	168.2	-21.2	32.3	0	0	0	110.1
85	G	73.5	Confident	86.6	Confident	47 Å²	47	48.7 Å²	48.7	49%	0.485	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	-8.9	-175	0	0	0	0	0	114.9	K83 E87	K83-G85 PolarHBondContact O-N 2.88Å; G85-E87 PolarHBondContact O-N 2.97Å; G85-E87 VanDerWaalsContact O-N 3.16Å
86	D	83	Confident	86.6	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.027	30%	0.295	C	S	.	.			trans	-73.1	98.9	166.4	-69.2	-25	0	0	0	108.4	I82 K83 A92 R95	I82-D86 HydrophobicContact CG2-CB 4.28Å; K83-D86 PolarHBondContact N-OD2 3.44Å; K83-D86 WeakPolarHBondContact O-CB 3.36Å; K83-D86 PolarHBondContact O-N 2.99Å; K83-D86 VanDerWaalsContact O-N 3.07Å; D86-A92 HydrophobicContact CB-CB 4.11Å; D86-R95 WeakPolarHBondContact OD1-CD 3.47Å; D86-R95 IonicContact OD1-CZ 3.95Å; D86-R95 IonicContact OD1-NE 2.73Å; D86-R95 PolarHBondContact OD1-NE 3.26Å; D86-R95 IonicContact OD2-CZ 2.71Å; D86-R95 IonicContact OD2-NE 3.39Å; D86-R95 PolarHBondContact OD2-NE 2.73Å; D86-R95 IonicContact OD2-NH2 3.89Å; D86-R95 PolarHBondContact OD2-NH2 2.82Å
87	E	81.8	Confident	86.5	Confident	20 Å²	20	46.5 Å²	46.5	9%	0.093	27%	0.269	C	S	.	.			trans	-64.4	-43.4	-178	-177.9	-169.2	176.2	0	0	112.4	W10 N26 S28 I29 G85 R114	W10-E87 WeakPolarHBondContact CH2-OE1 3.25Å; W10-E87 WeakPolarHBondContact CZ2-OE1 3.37Å; W10-E87 WeakPolarHBondContact CZ2-OE2 3.37Å; N26-E87 PolarHBondContact ND2-OE1 2.71Å; S28-E87 PolarHBondContact N-O 2.96Å; I29-E87 PolarHBondContact N-O 2.94Å; G85-E87 PolarHBondContact O-N 2.97Å; G85-E87 VanDerWaalsContact O-N 3.16Å; E87-R114 IonicContact OE1-NH1 2.85Å; E87-R114 IonicContact OE2-CZ 2.66Å; E87-R114 IonicContact OE2-NH1 3.18Å; E87-R114 PolarHBondContact OE2-NH1 3.41Å; E87-R114 IonicContact OE2-NH2 3.48Å
88	D	86.8	Confident	86.4	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.064	27%	0.268	C	S	.	.	S	Bend	trans	-146.7	165.9	-171.6	57.7	28.8	0	0	0	110.7	S28 D32 H90 T91 A92 R114	S28-D88 WeakPolarHBondContact OG-CB 3.07Å; D32-D88 VanDerWaalsContact OD2-CA 3.25Å; D32-D88 WeakPolarHBondContact OD2-CA 3.21Å; D32-D88 VanDerWaalsContact OD2-CB 3.23Å; D32-D88 WeakPolarHBondContact OD2-CB 3.41Å; D88-H90 PolarHBondContact O-N 2.98Å; D88-H90 PolarHBondContact OD1-N 2.98Å; D88-H90 IonicContact OD2-CD2 3.84Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-T91 VanDerWaalsContact O-N 3.15Å; D88-T91 WeakPolarHBondContact OD1-CB 3.22Å; D88-T91 PolarHBondContact OD1-N 2.91Å; D88-T91 PolarHBondContact OD1-OG1 3.28Å; D88-A92 PolarHBondContact O-N 2.65Å; D88-A92 VanDerWaalsContact O-N 3.07Å; D88-R114 IonicContact OD1-NH2 3.94Å; D88-R114 IonicContact OD2-CZ 2.83Å; D88-R114 IonicContact OD2-NE 3.1Å; D88-R114 IonicContact OD2-NH1 2.93Å; D88-R114 IonicContact OD2-NH2 2.76Å
89	I	89.4	Confident	86.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-34.4	178.7	-174.1	53.5	0	0	0	113	I29 D32 W36 W75 A92 N93	I29-I89 HydrophobicContact CD1-CB 4.32Å; I29-I89 HydrophobicContact CD1-CD1 4.47Å; D32-I89 HydrophobicContact CB-CG2 4.22Å; D32-I89 VanDerWaalsContact OD1-CB 3.3Å; D32-I89 WeakPolarHBondContact OD1-CB 3.42Å; D32-I89 PolarHBondContact OD1-N 3.36Å; D32-I89 PolarHBondContact OD2-N 3.27Å; W36-I89 HydrophobicContact CB-CD1 3.72Å; W36-I89 HydrophobicContact CB-CG1 4.04Å; W75-I89 HydrophobicContact CH2-CD1 3.9Å; W75-I89 HydrophobicContact CZ2-CD1 3.33Å; I89-A92 PolarHBondContact O-N 3.26Å; I89-N93 WeakPolarHBondContact O-CB 3.47Å; I89-N93 PolarHBondContact O-N 3.39Å
90	H	89.8	Confident	86.5	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-44.5	179.2	-46.9	-59.7	0	0	0	110.7	D39 D88 N93 E94 Q117 D121	D39-H90 IonicContact OD1-CE1 2.71Å; D39-H90 IonicContact OD1-CG 3.82Å; D39-H90 IonicContact OD1-ND1 3.2Å; D39-H90 PolarHBondContact OD1-ND1 2.93Å; D88-H90 PolarHBondContact O-N 2.98Å; D88-H90 PolarHBondContact OD1-N 2.98Å; D88-H90 IonicContact OD2-CD2 3.84Å; H90-N93 PolarHBondContact O-N 3.47Å; H90-E94 WeakPolarHBondContact O-CB 3.39Å; H90-E94 VanDerWaalsContact O-CG 3.31Å; H90-E94 WeakPolarHBondContact O-CG 3.35Å; H90-E94 PolarHBondContact O-N 3.43Å; H90-Q117 PolarHBondContact ND1-NE2 3.05Å; H90-D121 IonicContact CE1-OD2 3.67Å; H90-D121 PolarHBondContact CE1-OD2 3.03Å; H90-D121 IonicContact ND1-OD2 3.41Å; H90-D121 PolarHBondContact ND1-OD2 2.78Å
91	T	87.4	Confident	86.4	Confident	21 Å²	21	47.7 Å²	47.7	13%	0.129	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-41.5	177.8	-55.5	0	0	0	0	110.9	L9 D88 E94 R95 R114	L9-T91 HydrophobicContact CD1-CG2 4.37Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-T91 VanDerWaalsContact O-N 3.15Å; D88-T91 WeakPolarHBondContact OD1-CB 3.22Å; D88-T91 PolarHBondContact OD1-N 2.91Å; D88-T91 PolarHBondContact OD1-OG1 3.28Å; T91-E94 PolarHBondContact O-N 3.32Å; T91-R95 VanDerWaalsContact O-CB 3.23Å; T91-R95 WeakPolarHBondContact O-CB 3.38Å; T91-R95 PolarHBondContact O-N 3.27Å; T91-R114 PolarHBondContact OG1-NH2 3.16Å
92	A	88.9	Confident	86.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-48.9	176.8	0	0	0	0	0	111.4	I29 F80 D86 D88 I89 R95 R96	I29-A92 HydrophobicContact CD1-CB 4.06Å; F80-A92 HydrophobicContact CE1-CB 4.08Å; F80-A92 HydrophobicContact CZ-CB 4.08Å; D86-A92 HydrophobicContact CB-CB 4.11Å; D88-A92 PolarHBondContact O-N 2.65Å; D88-A92 VanDerWaalsContact O-N 3.07Å; I89-A92 PolarHBondContact O-N 3.26Å; A92-R95 PolarHBondContact O-N 2.98Å; A92-R96 WeakPolarHBondContact O-CB 3.38Å; A92-R96 PolarHBondContact O-N 3.27Å
93	N	89.8	Confident	86.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-43	179.3	-75.8	-7.7	0	0	0	112	D39 W75 I89 H90 R96 L97	D39-N93 PolarHBondContact OD2-ND2 3.03Å; W75-N93 PolarHBondContact NE1-OD1 3.15Å; I89-N93 WeakPolarHBondContact O-CB 3.47Å; I89-N93 PolarHBondContact O-N 3.39Å; H90-N93 PolarHBondContact O-N 3.47Å; N93-R96 PolarHBondContact O-N 3.46Å; N93-L97 WeakPolarHBondContact O-CB 3.49Å; N93-L97 PolarHBondContact O-N 3.49Å
94	E	88.1	Confident	86.3	Confident	29 Å²	29	40.2 Å²	40.2	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177	-75	-176.6	179.2	0	0	112.2	L9 H90 T91 L97 K98 H109 R112	L9-E94 WeakPolarHBondContact CD1-OE2 3.41Å; H90-E94 WeakPolarHBondContact O-CB 3.39Å; H90-E94 VanDerWaalsContact O-CG 3.31Å; H90-E94 WeakPolarHBondContact O-CG 3.35Å; H90-E94 PolarHBondContact O-N 3.43Å; T91-E94 PolarHBondContact O-N 3.32Å; E94-L97 PolarHBondContact O-N 3.05Å; E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 3.35Å; E94-H109 IonicContact OE1-CE1 3.84Å; E94-H109 IonicContact OE1-CG 3.98Å; E94-H109 IonicContact OE1-ND1 3.87Å; E94-H109 PolarHBondContact OE1-ND1 2.8Å; E94-H109 IonicContact OE2-ND1 2.87Å; E94-R112 IonicContact OE1-NH2 3.53Å; E94-R112 PolarHBondContact OE1-NH2 3.21Å
95	R	90.4	Very high	86.6	Confident	48 Å²	48	34 Å²	34	18%	0.181	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-50.5	173.1	176.7	-172.3	59.2	73.3	-1.8	110.4	L81 D86 T91 A92 L97 K98 E99	L81-R95 PolarHBondContact O-NH2 2.82Å; D86-R95 WeakPolarHBondContact OD1-CD 3.47Å; D86-R95 IonicContact OD1-CZ 3.95Å; D86-R95 IonicContact OD1-NE 2.73Å; D86-R95 PolarHBondContact OD1-NE 3.26Å; D86-R95 IonicContact OD2-CZ 2.71Å; D86-R95 IonicContact OD2-NE 3.39Å; D86-R95 PolarHBondContact OD2-NE 2.73Å; D86-R95 IonicContact OD2-NH2 3.89Å; D86-R95 PolarHBondContact OD2-NH2 2.82Å; T91-R95 VanDerWaalsContact O-CB 3.23Å; T91-R95 WeakPolarHBondContact O-CB 3.38Å; T91-R95 PolarHBondContact O-N 3.27Å; A92-R95 PolarHBondContact O-N 2.98Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.25Å; R95-K98 WeakPolarHBondContact O-CB 3.48Å; R95-K98 PolarHBondContact O-N 2.87Å; R95-E99 IonicContact CZ-OE1 3.96Å; R95-E99 VanDerWaalsContact NH1-CD 3.35Å; R95-E99 IonicContact NH1-OE1 3.79Å; R95-E99 PolarHBondContact NH1-OE1 2.99Å; R95-E99 IonicContact NH1-OE2 3.09Å; R95-E99 PolarHBondContact NH1-OE2 3.23Å; R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 3.4Å
96	R	90.4	Very high	87.1	Confident	60 Å²	60	34.7 Å²	34.7	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-40.2	-178.4	-173	62.2	176.1	150.9	6.1	111.4	I71 E74 F80 A92 N93 K98 E99 L100	I71-R96 HydrophobicContact CD1-CB 4.13Å; I71-R96 HydrophobicContact CD1-CG 4.12Å; I71-R96 HydrophobicContact CG1-CB 4.23Å; I71-R96 HydrophobicContact CG1-CG 3.72Å; E74-R96 VanDerWaalsContact CD-NH2 3.35Å; E74-R96 IonicContact OE1-CZ 2.8Å; E74-R96 IonicContact OE1-NE 3.82Å; E74-R96 IonicContact OE1-NH2 2.74Å; E74-R96 PolarHBondContact OE1-NH2 3.31Å; E74-R96 IonicContact OE2-CZ 2.99Å; E74-R96 IonicContact OE2-NE 2.68Å; E74-R96 PolarHBondContact OE2-NE 3.02Å; E74-R96 IonicContact OE2-NH2 3.23Å; E74-R96 PolarHBondContact OE2-NH2 2.86Å; F80-R96 HydrophobicContact CD2-CG 4.26Å; F80-R96 HydrophobicContact CE2-CB 3.5Å; F80-R96 VanDerWaalsContact CE2-CB 3.5Å; F80-R96 HydrophobicContact CE2-CG 3.58Å; F80-R96 HydrophobicContact CZ-CB 3.82Å; F80-R96 HydrophobicContact CZ-CG 4.31Å; A92-R96 WeakPolarHBondContact O-CB 3.38Å; A92-R96 PolarHBondContact O-N 3.27Å; N93-R96 PolarHBondContact O-N 3.46Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 3.01Å; R96-E99 WeakPolarHBondContact CD-OE2 3.42Å; R96-E99 IonicContact CZ-OE2 3.42Å; R96-E99 IonicContact NH1-OE2 2.96Å; R96-E99 PolarHBondContact NH1-OE2 2.94Å; R96-E99 WeakPolarHBondContact O-CB 3.4Å; R96-E99 PolarHBondContact O-N 3Å; R96-E99 VanDerWaalsContact O-N 3.16Å; R96-L100 HydrophobicContact CG-CD1 4.41Å; R96-L100 WeakPolarHBondContact O-CG 3.47Å; R96-L100 PolarHBondContact O-N 3.45Å; R96-L100 VanDerWaalsContact O-N 3.12Å
97	L	89.6	Confident	87.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-46.2	174.5	-171.9	72.6	0	0	0	110.9	I64 M68 I71 N93 E94 R95 E99 L100 I101 A105 L108	I64-L97 HydrophobicContact CG2-CD2 4.36Å; M68-L97 HydrophobicContact CE-CB 4.5Å; M68-L97 HydrophobicContact CE-CD1 4.17Å; M68-L97 HydrophobicContact CE-CD2 3.6Å; M68-L97 HydrophobicContact CE-CG 4.3Å; M68-L97 HydrophobicContact CG-CD1 4.18Å; M68-L97 HydrophobicContact SD-CD1 4.28Å; I71-L97 HydrophobicContact CD1-CB 3.83Å; I71-L97 HydrophobicContact CD1-CD1 4.03Å; N93-L97 WeakPolarHBondContact O-CB 3.49Å; N93-L97 PolarHBondContact O-N 3.49Å; E94-L97 PolarHBondContact O-N 3.05Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.25Å; L97-E99 VanDerWaalsContact C-N 3.29Å; L97-E99 PolarHBondContact O-N 3.06Å; L97-L100 PolarHBondContact O-N 3.4Å; L97-I101 HydrophobicContact CD1-CD1 3.95Å; L97-I101 HydrophobicContact CD1-CG1 4.24Å; L97-I101 HydrophobicContact CD2-CD1 4.17Å; L97-I101 HydrophobicContact CG-CD1 3.81Å; L97-I101 HydrophobicContact CG-CG1 4.01Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 2.93Å; L97-A105 HydrophobicContact CB-CB 4.31Å; L97-A105 HydrophobicContact CD2-CB 3.84Å; L97-A105 HydrophobicContact CG-CB 3.86Å; L97-L108 HydrophobicContact CD2-CD2 3.78Å
98	K	89.8	Confident	87.5	Confident	142 Å²	142	37.3 Å²	37.3	62%	0.617	21%	0.213	S	C	*	.	H	α-helix	trans	-60.3	-36.8	176.4	-170.8	-179.4	179.5	-176.6	0	112.8	E94 R95 R96 L100 G102 A105	E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 3.35Å; R95-K98 WeakPolarHBondContact O-CB 3.48Å; R95-K98 PolarHBondContact O-N 2.87Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 3.01Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 2.93Å; K98-G102 VanDerWaalsContact O-CA 3.22Å; K98-G102 WeakPolarHBondContact O-CA 3.48Å; K98-G102 PolarHBondContact O-N 2.9Å; K98-A105 HydrophobicContact CB-CB 4Å
99	E	89.1	Confident	87.4	Confident	85 Å²	85	39.3 Å²	39.3	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-30.4	174.2	-69.8	172.6	-174.7	0	0	112.8	K83 R95 R96 L97	K83-E99 IonicContact NZ-OE1 2.96Å; K83-E99 PolarHBondContact NZ-OE1 2.59Å; K83-E99 IonicContact NZ-OE2 3.65Å; R95-E99 IonicContact CZ-OE1 3.96Å; R95-E99 VanDerWaalsContact NH1-CD 3.35Å; R95-E99 IonicContact NH1-OE1 3.79Å; R95-E99 PolarHBondContact NH1-OE1 2.99Å; R95-E99 IonicContact NH1-OE2 3.09Å; R95-E99 PolarHBondContact NH1-OE2 3.23Å; R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 3.4Å; R96-E99 WeakPolarHBondContact CD-OE2 3.42Å; R96-E99 IonicContact CZ-OE2 3.42Å; R96-E99 IonicContact NH1-OE2 2.96Å; R96-E99 PolarHBondContact NH1-OE2 2.94Å; R96-E99 WeakPolarHBondContact O-CB 3.4Å; R96-E99 PolarHBondContact O-N 3Å; R96-E99 VanDerWaalsContact O-N 3.16Å; L97-E99 VanDerWaalsContact C-N 3.29Å; L97-E99 PolarHBondContact O-N 3.06Å
100	L	88.8	Confident	87.3	Confident	52 Å²	52	41.4 Å²	41.4	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-86	-46.6	-177.6	-66.6	176.5	0	0	0	113.3	Q70 I71 R96 L97 K98	Q70-L100 HydrophobicContact CB-CD1 4.2Å; Q70-L100 HydrophobicContact CG-CD1 4.19Å; Q70-L100 VanDerWaalsContact NE2-CD2 3.3Å; I71-L100 HydrophobicContact CD1-CD1 4.24Å; I71-L100 HydrophobicContact CG1-CD1 3.78Å; R96-L100 HydrophobicContact CG-CD1 4.41Å; R96-L100 WeakPolarHBondContact O-CG 3.47Å; R96-L100 PolarHBondContact O-N 3.45Å; R96-L100 VanDerWaalsContact O-N 3.12Å; L97-L100 PolarHBondContact O-N 3.4Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 2.93Å
101	I	87.1	Confident	86.9	Confident	36 Å²	36	42 Å²	42	19%	0.185	24%	0.243	C	C	.	.	H	α-helix	trans	-112.8	-10.8	-171.4	64.2	166.1	0	0	0	113.8	Q63 I64 L97 P104 A105	Q63-I101 HydrophobicContact CB-CG2 4.49Å; I64-I101 HydrophobicContact CB-CD1 4.31Å; I64-I101 HydrophobicContact CG1-CD1 3.49Å; I64-I101 VanDerWaalsContact CG1-CD1 3.49Å; L97-I101 HydrophobicContact CD1-CD1 3.95Å; L97-I101 HydrophobicContact CD1-CG1 4.24Å; L97-I101 HydrophobicContact CD2-CD1 4.17Å; L97-I101 HydrophobicContact CG-CD1 3.81Å; L97-I101 HydrophobicContact CG-CG1 4.01Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 2.93Å; I101-P104 HydrophobicContact CD1-CB 4.29Å; I101-P104 WeakPolarHBondContact O-CD 3.44Å; I101-A105 HydrophobicContact CD1-CB 3.89Å; I101-A105 HydrophobicContact CG1-CB 3.82Å
102	G	87.4	Confident	86.9	Confident	29 Å²	29	41.7 Å²	41.7	30%	0.299	24%	0.239	S	C	.	.			trans	75.7	-134	179	0	0	0	0	0	113.6	K98 P104 A105	K98-G102 VanDerWaalsContact O-CA 3.22Å; K98-G102 WeakPolarHBondContact O-CA 3.48Å; K98-G102 PolarHBondContact O-N 2.9Å; G102-P104 VanDerWaalsContact C-CD 3.45Å; G102-A105 WeakPolarHBondContact O-CB 3.35Å; G102-A105 PolarHBondContact O-N 3.35Å
103	A	82.5	Confident	86.9	Confident	91 Å²	91	42.7 Å²	42.7	75%	0.752	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-59.2	-37.6	-170.4	0	0	0	0	0	115.7	A105 G106	A103-A105 PolarHBondContact O-N 3.47Å; A103-A105 VanDerWaalsContact O-N 3.16Å; A103-G106 PolarHBondContact O-N 2.73Å; A103-G106 VanDerWaalsContact O-N 3.12Å
104	P	83.9	Confident	86.9	Confident	20 Å²	20	44.7 Å²	44.7	13%	0.13	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.4	179	-24.8	35.4	0	0	0	114	E60 I101 G102 G106 K107	E60-P104 HydrophobicContact CG-CB 4.34Å; I101-P104 HydrophobicContact CD1-CB 4.29Å; I101-P104 WeakPolarHBondContact O-CD 3.44Å; G102-P104 VanDerWaalsContact C-CD 3.45Å; P104-G106 PolarHBondContact O-N 2.85Å; P104-K107 WeakPolarHBondContact O-CB 3.33Å; P104-K107 PolarHBondContact O-N 2.93Å
105	A	81.6	Confident	87	Confident	9 Å²	9	44.7 Å²	44.7	7%	0.074	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.9	-35.4	175.5	0	0	0	0	0	112.8	L97 K98 I101 G102 A103 K107 L108	L97-A105 HydrophobicContact CB-CB 4.31Å; L97-A105 HydrophobicContact CD2-CB 3.84Å; L97-A105 HydrophobicContact CG-CB 3.86Å; K98-A105 HydrophobicContact CB-CB 4Å; I101-A105 HydrophobicContact CD1-CB 3.89Å; I101-A105 HydrophobicContact CG1-CB 3.82Å; G102-A105 WeakPolarHBondContact O-CB 3.35Å; G102-A105 PolarHBondContact O-N 3.35Å; A103-A105 PolarHBondContact O-N 3.47Å; A103-A105 VanDerWaalsContact O-N 3.16Å; A105-K107 PolarHBondContact O-N 3.14Å; A105-L108 WeakPolarHBondContact O-CB 3.42Å; A105-L108 PolarHBondContact O-N 3.26Å
106	G	83.6	Confident	87	Confident	61 Å²	61	42.4 Å²	42.4	63%	0.629	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-68.2	-17.6	-179.9	0	0	0	0	0	113.9	A103 P104	A103-G106 PolarHBondContact O-N 2.73Å; A103-G106 VanDerWaalsContact O-N 3.12Å; P104-G106 PolarHBondContact O-N 2.85Å
107	K	86.2	Confident	87.1	Confident	79 Å²	79	39.7 Å²	39.7	34%	0.343	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-78.7	-19.5	177.6	-67	-176.1	170	-178.7	0	112.9	V56 E60 P104 A105 H109 T110	V56-K107 HydrophobicContact CG1-CB 3.93Å; V56-K107 HydrophobicContact CG1-CD 4.18Å; E60-K107 WeakPolarHBondContact OE1-CE 3.5Å; E60-K107 IonicContact OE1-NZ 3.56Å; E60-K107 PolarHBondContact OE1-NZ 2.71Å; E60-K107 IonicContact OE2-NZ 2.73Å; E60-K107 PolarHBondContact OE2-NZ 3.47Å; P104-K107 WeakPolarHBondContact O-CB 3.33Å; P104-K107 PolarHBondContact O-N 2.93Å; A105-K107 PolarHBondContact O-N 3.14Å; K107-H109 PolarHBondContact O-N 2.91Å; K107-T110 VanDerWaalsContact O-CB 3.25Å; K107-T110 WeakPolarHBondContact O-CB 3.01Å; K107-T110 PolarHBondContact O-N 3.05Å; K107-T110 VanDerWaalsContact O-N 3.09Å; K107-T110 PolarHBondContact O-OG1 3.49Å
108	L	86.3	Confident	87.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.7	-178.1	-179.3	62.8	0	0	0	113.1	Y46 V47 I64 M68 L97 A105 T110	Y46-L108 HydrophobicContact CD1-CD1 4.42Å; Y46-L108 WeakPolarHBondContact CD1-O 3.13Å; Y46-L108 WeakPolarHBondContact CE1-O 3.45Å; V47-L108 HydrophobicContact CB-CD1 3.96Å; I64-L108 HydrophobicContact CG2-CD1 4.25Å; M68-L108 HydrophobicContact CE-CD2 3.35Å; L97-L108 HydrophobicContact CD2-CD2 3.78Å; A105-L108 WeakPolarHBondContact O-CB 3.42Å; A105-L108 PolarHBondContact O-N 3.26Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 PolarHBondContact O-N 3.39Å
109	H	85.9	Confident	87.4	Confident	54 Å²	54	33.4 Å²	33.4	25%	0.25	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3	-179.8	-146.5	91.1	0	0	0	113.3	E94 K107 G111 R112	E94-H109 IonicContact OE1-CE1 3.84Å; E94-H109 IonicContact OE1-CG 3.98Å; E94-H109 IonicContact OE1-ND1 3.87Å; E94-H109 PolarHBondContact OE1-ND1 2.8Å; E94-H109 IonicContact OE2-ND1 2.87Å; K107-H109 PolarHBondContact O-N 2.91Å; H109-G111 PolarHBondContact O-N 2.93Å; H109-G111 VanDerWaalsContact O-N 3.13Å; H109-R112 PolarHBondContact CD2-O 2.7Å; H109-R112 PolarHBondContact NE2-O 2.96Å; H109-R112 PolarHBondContact O-N 3.21Å; H109-R112 VanDerWaalsContact O-N 3.16Å
110	T	86.8	Confident	87.6	Confident	45 Å²	45	29.4 Å²	29.4	28%	0.276	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	114.6	-177.8	-55	0	0	0	0	110.6	Y46 L50 L55 K107 L108 R112 F210	Y46-T110 PolarHBondContact OH-O 3.42Å; L50-T110 WeakPolarHBondContact CD2-O 3.21Å; L55-T110 HydrophobicContact CD1-CG2 4.17Å; K107-T110 VanDerWaalsContact O-CB 3.25Å; K107-T110 WeakPolarHBondContact O-CB 3.01Å; K107-T110 PolarHBondContact O-N 3.05Å; K107-T110 VanDerWaalsContact O-N 3.09Å; K107-T110 PolarHBondContact O-OG1 3.49Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 PolarHBondContact O-N 3.39Å; T110-R112 PolarHBondContact O-N 3.33Å; T110-F210 HydrophobicContact CG2-CD2 4.46Å; T110-F210 HydrophobicContact CG2-CE2 3.84Å; T110-F210 HydrophobicContact CG2-CZ 3.97Å
111	G	80.6	Confident	87.9	Confident	18 Å²	18	27 Å²	27	19%	0.186	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	4.3	179.6	0	0	0	0	0	114.9	Y46 H109	Y46-G111 PolarHBondContact OH-O 3.31Å; Y46-G111 VanDerWaalsContact OH-O 3.08Å; H109-G111 PolarHBondContact O-N 2.93Å; H109-G111 VanDerWaalsContact O-N 3.13Å
112	R	87.9	Confident	88.1	Confident	15 Å²	15	25.3 Å²	25.3	6%	0.057	17%	0.17	C	C	.	.			trans	-100.7	151.5	176.9	-162.7	165.8	68.5	172.9	2.6	109.9	S43 Y46 E94 H109 T110 Q117	S43-R112 PolarHBondContact OG-NH1 3.43Å; Y46-R112 HydrophobicContact CD1-CB 4.43Å; Y46-R112 HydrophobicContact CE1-CB 3.69Å; Y46-R112 HydrophobicContact CE1-CG 4.27Å; Y46-R112 HydrophobicContact CE2-CB 4.43Å; Y46-R112 HydrophobicContact CE2-CG 4.48Å; Y46-R112 PolarHBondContact OH-N 3.03Å; Y46-R112 VanDerWaalsContact OH-N 3.11Å; E94-R112 IonicContact OE1-NH2 3.53Å; E94-R112 PolarHBondContact OE1-NH2 3.21Å; H109-R112 PolarHBondContact CD2-O 2.7Å; H109-R112 PolarHBondContact NE2-O 2.96Å; H109-R112 PolarHBondContact O-N 3.21Å; H109-R112 VanDerWaalsContact O-N 3.16Å; T110-R112 PolarHBondContact O-N 3.33Å; R112-Q117 HydrophobicContact CG-CB 4.48Å
113	S	89.1	Confident	88.4	Confident	21 Å²	21	24.1 Å²	24.1	15%	0.147	16%	0.156	C	C	.	.			trans	-123.8	155.6	168	-172.5	0	0	0	0	110.1	N115 D116 Q117 A204	S113-N115 PolarHBondContact O-N 3.41Å; S113-N115 PolarHBondContact OG-N 3.13Å; S113-D116 WeakPolarHBondContact CA-OD1 3.15Å; S113-D116 WeakPolarHBondContact CB-OD1 3.28Å; S113-D116 PolarHBondContact N-OD1 2.56Å; S113-Q117 WeakPolarHBondContact O-CB 2.8Å; S113-Q117 PolarHBondContact O-N 2.88Å; S113-Q117 VanDerWaalsContact O-N 3.11Å; S113-A204 VanDerWaalsContact CB-N 3.33Å; S113-A204 WeakPolarHBondContact OG-CA 3.36Å
114	R	88.9	Confident	88.9	Confident	42 Å²	42	19.9 Å²	19.9	16%	0.158	12%	0.121	C	C	.	.	H	α-helix	trans	-58	-30.3	167.1	-71.3	178.8	173.3	-175.2	-11.1	111.6	E87 D88 T91 V118	E87-R114 IonicContact OE1-NH1 2.85Å; E87-R114 IonicContact OE2-CZ 2.66Å; E87-R114 IonicContact OE2-NH1 3.18Å; E87-R114 PolarHBondContact OE2-NH1 3.41Å; E87-R114 IonicContact OE2-NH2 3.48Å; D88-R114 IonicContact OD1-NH2 3.94Å; D88-R114 IonicContact OD2-CZ 2.83Å; D88-R114 IonicContact OD2-NE 3.1Å; D88-R114 IonicContact OD2-NH1 2.93Å; D88-R114 IonicContact OD2-NH2 2.76Å; T91-R114 PolarHBondContact OG1-NH2 3.16Å; R114-V118 WeakPolarHBondContact O-CB 3.38Å; R114-V118 VanDerWaalsContact O-CG1 3.22Å; R114-V118 WeakPolarHBondContact O-CG1 3.49Å; R114-V118 PolarHBondContact O-N 3.07Å
115	N	90.9	Very high	89.4	Confident	29 Å²	29	20.4 Å²	20.4	16%	0.155	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-44.7	-176.5	-65.2	-1.3	0	0	0	113	S113 V119 A204 T234 Y323	S113-N115 PolarHBondContact O-N 3.41Å; S113-N115 PolarHBondContact OG-N 3.13Å; N115-V119 VanDerWaalsContact O-CG2 3.27Å; N115-V119 WeakPolarHBondContact O-CG2 3.19Å; N115-A204 PolarHBondContact ND2-O 3.42Å; N115-T234 HydrophobicContact CB-CG2 3.96Å; N115-Y323 HydrophobicContact CB-CD2 4.41Å; N115-Y323 HydrophobicContact CB-CG 4.47Å
116	D	91.4	Very high	89.9	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-84.3	-28.6	177.5	66.4	-37.5	0	0	0	112.4	S113 T120 G201 S202 G203 T234	S113-D116 WeakPolarHBondContact CA-OD1 3.15Å; S113-D116 WeakPolarHBondContact CB-OD1 3.28Å; S113-D116 PolarHBondContact N-OD1 2.56Å; D116-T120 WeakPolarHBondContact O-CB 3.43Å; D116-T120 PolarHBondContact O-N 3.12Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.26Å; D116-G201 PolarHBondContact OD2-N 2.95Å; D116-S202 PolarHBondContact OD2-N 3.08Å; D116-G203 VanDerWaalsContact CG-N 3.31Å; D116-G203 PolarHBondContact OD2-N 3.33Å; D116-T234 HydrophobicContact CB-CG2 4.21Å
117	Q	92.5	Very high	90.3	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-55.2	173.1	-176.7	173	3.7	0	0	111.8	D39 H90 R112 S113 V119 T120 D121	D39-Q117 PolarHBondContact OD1-NE2 3.43Å; H90-Q117 PolarHBondContact ND1-NE2 3.05Å; R112-Q117 HydrophobicContact CG-CB 4.48Å; S113-Q117 WeakPolarHBondContact O-CB 2.8Å; S113-Q117 PolarHBondContact O-N 2.88Å; S113-Q117 VanDerWaalsContact O-N 3.11Å; Q117-V119 VanDerWaalsContact C-N 3.28Å; Q117-V119 PolarHBondContact O-N 3.3Å; Q117-T120 WeakPolarHBondContact O-CA 3.46Å; Q117-T120 VanDerWaalsContact O-CB 3.32Å; Q117-T120 WeakPolarHBondContact O-CB 3.49Å; Q117-T120 PolarHBondContact O-N 3.17Å; Q117-D121 PolarHBondContact O-N 2.74Å
118	V	92.3	Very high	90.6	Very high	11 Å²	11	18 Å²	18	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-38.2	-176.1	72.9	0	0	0	0	112.4	R114 D121 M122	R114-V118 WeakPolarHBondContact O-CB 3.38Å; R114-V118 VanDerWaalsContact O-CG1 3.22Å; R114-V118 WeakPolarHBondContact O-CG1 3.49Å; R114-V118 PolarHBondContact O-N 3.07Å; V118-D121 PolarHBondContact O-N 2.91Å; V118-M122 HydrophobicContact CG2-SD 4.35Å; V118-M122 WeakPolarHBondContact O-CB 3.41Å; V118-M122 VanDerWaalsContact O-CG 3.22Å; V118-M122 WeakPolarHBondContact O-CG 3.45Å; V118-M122 PolarHBondContact O-N 2.64Å
119	V	92.8	Very high	90.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-70	-36.7	177.7	-175.7	0	0	0	0	110.7	N115 Q117 K123 P199 R237 F239	N115-V119 VanDerWaalsContact O-CG2 3.27Å; N115-V119 WeakPolarHBondContact O-CG2 3.19Å; Q117-V119 VanDerWaalsContact C-N 3.28Å; Q117-V119 PolarHBondContact O-N 3.3Å; V119-K123 HydrophobicContact CG1-CD 4.41Å; V119-K123 WeakPolarHBondContact O-CB 3.11Å; V119-K123 WeakPolarHBondContact O-CG 3.24Å; V119-K123 PolarHBondContact O-N 3.03Å; V119-P199 HydrophobicContact CB-CB 4.43Å; V119-P199 HydrophobicContact CB-CG 4.06Å; V119-P199 HydrophobicContact CG1-CB 4.09Å; V119-P199 HydrophobicContact CG1-CG 3.79Å; V119-R237 VanDerWaalsContact CG2-NH1 3.32Å; V119-F239 HydrophobicContact CG1-CE1 3.87Å; V119-F239 HydrophobicContact CG1-CZ 3.73Å
120	T	93.5	Very high	91.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-61.7	-47.6	174.5	-57.2	0	0	0	0	110.5	D116 Q117 M122 K123 L124 L198 P199 L200 L221 F223	D116-T120 WeakPolarHBondContact O-CB 3.43Å; D116-T120 PolarHBondContact O-N 3.12Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.26Å; Q117-T120 WeakPolarHBondContact O-CA 3.46Å; Q117-T120 VanDerWaalsContact O-CB 3.32Å; Q117-T120 WeakPolarHBondContact O-CB 3.49Å; Q117-T120 PolarHBondContact O-N 3.17Å; T120-M122 PolarHBondContact O-N 3.19Å; T120-K123 PolarHBondContact O-N 3.46Å; T120-L124 HydrophobicContact CG2-CD1 4.11Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; T120-L124 PolarHBondContact O-N 3.4Å; T120-L198 HydrophobicContact CG2-CD1 4.24Å; T120-P199 WeakPolarHBondContact OG1-CG 3.3Å; T120-L200 HydrophobicContact CG2-CB 4.24Å; T120-L200 HydrophobicContact CG2-CD2 4.46Å; T120-L200 WeakPolarHBondContact OG1-CB 3.37Å; T120-L200 PolarHBondContact OG1-N 3.08Å; T120-L221 HydrophobicContact CG2-CD1 4.06Å; T120-F223 HydrophobicContact CG2-CE2 4.48Å
121	D	94.1	Very high	91.5	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-66.5	-41.6	-176.9	-61.5	-22.1	0	0	0	111.3	A38 D39 H90 Q117 V118 K123 L124 W125	A38-D121 HydrophobicContact CB-CB 4.04Å; A38-D121 WeakPolarHBondContact CB-O 3.4Å; D39-D121 WeakPolarHBondContact CA-OD1 3.42Å; H90-D121 IonicContact CE1-OD2 3.67Å; H90-D121 PolarHBondContact CE1-OD2 3.03Å; H90-D121 IonicContact ND1-OD2 3.41Å; H90-D121 PolarHBondContact ND1-OD2 2.78Å; Q117-D121 PolarHBondContact O-N 2.74Å; V118-D121 PolarHBondContact O-N 2.91Å; D121-K123 PolarHBondContact O-N 3.21Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-W125 VanDerWaalsContact O-CB 3.29Å; D121-W125 WeakPolarHBondContact O-CB 3.49Å; D121-W125 PolarHBondContact O-N 3.46Å
122	M	92.3	Very high	92.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-42	173.6	-74.3	-179.6	62.2	0	0	112.7	M35 V118 T120 W125 L126 V240 D330 K331 M334	M35-M122 HydrophobicContact CE-CG 4.39Å; M35-M122 HydrophobicContact SD-CB 4.47Å; M35-M122 HydrophobicContact SD-CG 3.58Å; M35-M122 VanDerWaalsContact SD-CG 3.58Å; V118-M122 HydrophobicContact CG2-SD 4.35Å; V118-M122 WeakPolarHBondContact O-CB 3.41Å; V118-M122 VanDerWaalsContact O-CG 3.22Å; V118-M122 WeakPolarHBondContact O-CG 3.45Å; V118-M122 PolarHBondContact O-N 2.64Å; T120-M122 PolarHBondContact O-N 3.19Å; M122-W125 PolarHBondContact O-N 3.5Å; M122-L126 WeakPolarHBondContact O-CB 3.16Å; M122-L126 PolarHBondContact O-N 3.03Å; M122-V240 HydrophobicContact CE-CB 4.44Å; M122-V240 HydrophobicContact CE-CG1 4.3Å; M122-V240 HydrophobicContact CE-CG2 3.58Å; M122-D330 HydrophobicContact CE-CB 3.91Å; M122-D330 VanDerWaalsContact CE-CG 3.42Å; M122-D330 WeakPolarHBondContact CE-OD2 3.38Å; M122-K331 HydrophobicContact CE-CG 4.42Å; M122-K331 HydrophobicContact CG-CG 4.46Å; M122-K331 HydrophobicContact SD-CG 3.98Å; M122-K331 PolarHBondContact SD-NZ 3.19Å; M122-M334 HydrophobicContact CE-CE 4.06Å; M122-M334 HydrophobicContact CE-SD 4.21Å; M122-M334 HydrophobicContact CG-CE 4.35Å
123	K	92.4	Very high	92.5	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.022	9%	0.09	C	C	.	.	H	α-helix	trans	-67	-41.6	177.4	-77.7	-175.5	173.7	-146.1	0	112.3	V119 T120 D121 R127 T195 I197 P199 F223 F239	V119-K123 HydrophobicContact CG1-CD 4.41Å; V119-K123 WeakPolarHBondContact O-CB 3.11Å; V119-K123 WeakPolarHBondContact O-CG 3.24Å; V119-K123 PolarHBondContact O-N 3.03Å; T120-K123 PolarHBondContact O-N 3.46Å; D121-K123 PolarHBondContact O-N 3.21Å; K123-R127 VanDerWaalsContact O-CB 3.25Å; K123-R127 WeakPolarHBondContact O-CB 3.29Å; K123-R127 PolarHBondContact O-N 3.49Å; K123-T195 HydrophobicContact CB-CG2 4.32Å; K123-T195 WeakPolarHBondContact CD-O 3.26Å; K123-T195 HydrophobicContact CG-CG2 4.3Å; K123-I197 VanDerWaalsContact CD-O 3.26Å; K123-I197 WeakPolarHBondContact CD-O 3.41Å; K123-I197 PolarHBondContact NZ-O 3.47Å; K123-P199 HydrophobicContact CD-CG 4.11Å; K123-F223 HydrophobicContact CB-CE1 4.07Å; K123-F223 HydrophobicContact CB-CZ 4.17Å; K123-F223 HydrophobicContact CD-CE1 4.46Å; K123-F239 HydrophobicContact CB-CE2 4.41Å; K123-F239 HydrophobicContact CD-CD2 4.48Å; K123-F239 HydrophobicContact CD-CE2 4.26Å; K123-F239 HydrophobicContact CD-CZ 4.31Å; K123-F239 HydrophobicContact CG-CD2 3.69Å; K123-F239 HydrophobicContact CG-CE1 4.31Å; K123-F239 HydrophobicContact CG-CE2 3.28Å; K123-F239 HydrophobicContact CG-CG 4.35Å; K123-F239 HydrophobicContact CG-CZ 3.66Å
124	L	93.4	Very high	92.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-49.1	174.7	-76	173.2	0	0	0	110.7	A38 T120 D121 R127 D128 L221 F223	A38-L124 HydrophobicContact CB-CB 3.9Å; A38-L124 HydrophobicContact CB-CD1 4.41Å; T120-L124 HydrophobicContact CG2-CD1 4.11Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; T120-L124 PolarHBondContact O-N 3.4Å; D121-L124 PolarHBondContact O-N 3.39Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-D128 VanDerWaalsContact O-CG 3.32Å; L124-D128 PolarHBondContact O-N 2.94Å; L124-L221 HydrophobicContact CD1-CD2 4.2Å; L124-F223 HydrophobicContact CD2-CE2 3.57Å; L124-F223 HydrophobicContact CD2-CZ 3.78Å; L124-F223 HydrophobicContact CG-CE2 3.98Å; L124-F223 HydrophobicContact CG-CZ 3.9Å
125	W	93.9	Very high	93	Very high	32 Å²	32	18.4 Å²	18.4	12%	0.121	10%	0.097	C	C	.	.	H	α-helix	trans	-60.8	-47.6	178	-173.7	93.8	0	0	0	111.7	M35 D121 M122 R127 D128 A129 M334 F335 Y338	M35-W125 HydrophobicContact CG-CB 4.39Å; M35-W125 HydrophobicContact CG-CG 4.32Å; D121-W125 VanDerWaalsContact O-CB 3.29Å; D121-W125 WeakPolarHBondContact O-CB 3.49Å; D121-W125 PolarHBondContact O-N 3.46Å; M122-W125 PolarHBondContact O-N 3.5Å; W125-R127 VanDerWaalsContact C-N 3.35Å; W125-R127 PolarHBondContact O-N 2.88Å; W125-D128 PolarHBondContact O-N 2.97Å; W125-A129 HydrophobicContact CE3-CB 4.08Å; W125-A129 HydrophobicContact CH2-CB 4.06Å; W125-A129 HydrophobicContact CZ3-CB 3.8Å; W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.32Å; W125-A129 PolarHBondContact O-N 3.24Å; W125-M334 HydrophobicContact CD2-CE 4.37Å; W125-M334 HydrophobicContact CE3-CE 3.57Å; W125-M334 HydrophobicContact CE3-CG 4.49Å; W125-M334 HydrophobicContact CE3-SD 3.98Å; W125-M334 HydrophobicContact CZ3-CE 3.87Å; W125-M334 HydrophobicContact CZ3-CG 3.95Å; W125-M334 HydrophobicContact CZ3-SD 4.04Å; W125-F335 HydrophobicContact CD2-CD1 4.32Å; W125-F335 AromaticContact CD2-CE1 3.72Å; W125-F335 HydrophobicContact CD2-CE1 3.72Å; W125-F335 AromaticContact CE2-CD1 3.97Å; W125-F335 AromaticContact CE2-CE1 3.61Å; W125-F335 HydrophobicContact CE3-CD1 4.24Å; W125-F335 AromaticContact CE3-CE1 3.89Å; W125-F335 HydrophobicContact CE3-CE1 3.89Å; W125-F335 HydrophobicContact CG-CE1 4.37Å; W125-F335 AromaticContact CH2-CD1 3.51Å; W125-F335 HydrophobicContact CH2-CD1 3.51Å; W125-F335 AromaticContact CH2-CE1 3.92Å; W125-F335 HydrophobicContact CH2-CE1 3.92Å; W125-F335 AromaticContact CZ2-CD1 3.57Å; W125-F335 HydrophobicContact CZ2-CD1 3.57Å; W125-F335 AromaticContact CZ2-CE1 3.73Å; W125-F335 HydrophobicContact CZ2-CE1 3.73Å; W125-F335 AromaticContact CZ3-CD1 3.85Å; W125-F335 HydrophobicContact CZ3-CD1 3.85Å; W125-F335 AromaticContact CZ3-CE1 3.99Å; W125-F335 HydrophobicContact CZ3-CE1 3.99Å; W125-Y338 AromaticContact CH2-CD1 3.61Å; W125-Y338 HydrophobicContact CH2-CD1 3.61Å; W125-Y338 HydrophobicContact CH2-CD2 4.19Å; W125-Y338 HydrophobicContact CH2-CE1 4.29Å; W125-Y338 AromaticContact CH2-CG 3.55Å; W125-Y338 HydrophobicContact CH2-CG 3.55Å; W125-Y338 AromaticContact CZ2-CD1 3.96Å; W125-Y338 HydrophobicContact CZ2-CD1 3.96Å; W125-Y338 HydrophobicContact CZ2-CE1 4.3Å; W125-Y338 HydrophobicContact CZ2-CG 4.34Å; W125-Y338 HydrophobicContact CZ3-CG 4.34Å
126	L	92.4	Very high	93.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.5	-36.2	-179	-176.3	60.6	0	0	0	111.9	M122 D128 A129 I130 T195 F239 V240 F244 M334	M122-L126 WeakPolarHBondContact O-CB 3.16Å; M122-L126 PolarHBondContact O-N 3.03Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.39Å; L126-A129 PolarHBondContact O-N 2.93Å; L126-I130 HydrophobicContact CD1-CD1 4.24Å; L126-I130 HydrophobicContact CD1-CG1 4.15Å; L126-I130 HydrophobicContact CD2-CD1 4.44Å; L126-I130 HydrophobicContact CG-CD1 3.84Å; L126-I130 HydrophobicContact CG-CG1 4.23Å; L126-I130 VanDerWaalsContact O-CB 3.32Å; L126-I130 WeakPolarHBondContact O-CB 3.32Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.42Å; L126-T195 HydrophobicContact CB-CG2 4.17Å; L126-T195 HydrophobicContact CD2-CG2 4.01Å; L126-T195 HydrophobicContact CG-CG2 4.17Å; L126-F239 HydrophobicContact CD2-CD2 4.11Å; L126-V240 HydrophobicContact CD2-CG2 4.11Å; L126-F244 HydrophobicContact CD1-CD1 4.08Å; L126-F244 HydrophobicContact CD1-CD2 3.98Å; L126-F244 HydrophobicContact CD1-CE1 4.24Å; L126-F244 HydrophobicContact CD1-CE2 4.14Å; L126-F244 HydrophobicContact CD1-CG 3.94Å; L126-F244 HydrophobicContact CD1-CZ 4.27Å; L126-F244 HydrophobicContact CD2-CB 4.47Å; L126-M334 HydrophobicContact CB-SD 4.15Å; L126-M334 HydrophobicContact CD1-CG 4.39Å; L126-M334 HydrophobicContact CD1-SD 4.18Å; L126-M334 HydrophobicContact CD2-SD 4.38Å; L126-M334 HydrophobicContact CG-SD 4.46Å
127	R	92.2	Very high	93.4	Very high	36 Å²	36	17.8 Å²	17.8	14%	0.136	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.2	-177.7	-171.8	70.4	-169.7	-3	111.4	K123 L124 W125 I130 A131 N196 L221 G222	K123-R127 VanDerWaalsContact O-CB 3.25Å; K123-R127 WeakPolarHBondContact O-CB 3.29Å; K123-R127 PolarHBondContact O-N 3.49Å; L124-R127 PolarHBondContact O-N 2.95Å; W125-R127 VanDerWaalsContact C-N 3.35Å; W125-R127 PolarHBondContact O-N 2.88Å; R127-I130 PolarHBondContact O-N 2.7Å; R127-A131 PolarHBondContact O-N 2.98Å; R127-A131 VanDerWaalsContact O-N 3.17Å; R127-N196 WeakPolarHBondContact CD-OD1 3.38Å; R127-L221 PolarHBondContact NH1-O 3.5Å; R127-G222 PolarHBondContact NH1-O 3.21Å
128	D	92.5	Very high	93.5	Very high	61 Å²	61	18.1 Å²	18.1	33%	0.326	10%	0.096	S	C	.	.	H	α-helix	trans	-71.7	-39.4	-179.5	-60.5	-13.6	0	0	0	110.1	R41 L124 W125 L126 I130 A131 M132	R41-D128 IonicContact CZ-OD2 3.34Å; R41-D128 VanDerWaalsContact CZ-OD2 3.28Å; R41-D128 IonicContact NH1-OD2 3.81Å; R41-D128 PolarHBondContact NH1-OD2 3.48Å; R41-D128 IonicContact NH2-OD2 3.52Å; R41-D128 PolarHBondContact NH2-OD2 2.92Å; L124-D128 VanDerWaalsContact O-CG 3.32Å; L124-D128 PolarHBondContact O-N 2.94Å; W125-D128 PolarHBondContact O-N 2.97Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.39Å; D128-I130 PolarHBondContact O-N 3.36Å; D128-A131 WeakPolarHBondContact O-CB 3.45Å; D128-A131 PolarHBondContact O-N 3.11Å; D128-M132 PolarHBondContact O-N 3.15Å; D128-M132 VanDerWaalsContact O-N 3.14Å
129	A	92.6	Very high	93.7	Very high	4 Å²	4	23 Å²	23	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-43.3	172.1	0	0	0	0	0	113	W125 L126 A131 M132 L133 Y338	W125-A129 HydrophobicContact CE3-CB 4.08Å; W125-A129 HydrophobicContact CH2-CB 4.06Å; W125-A129 HydrophobicContact CZ3-CB 3.8Å; W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.32Å; W125-A129 PolarHBondContact O-N 3.24Å; L126-A129 PolarHBondContact O-N 2.93Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.08Å; A129-M132 PolarHBondContact O-N 3.1Å; A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 3.27Å; A129-Y338 HydrophobicContact CB-CD2 3.57Å; A129-Y338 HydrophobicContact CB-CE2 3.46Å; A129-Y338 VanDerWaalsContact CB-CE2 3.46Å; A129-Y338 HydrophobicContact CB-CG 4.38Å
130	I	93	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-40.1	176.5	-76.4	168.7	0	0	0	110.9	L126 R127 D128 L133 T134 L188 I191 K192 F244	L126-I130 HydrophobicContact CD1-CD1 4.24Å; L126-I130 HydrophobicContact CD1-CG1 4.15Å; L126-I130 HydrophobicContact CD2-CD1 4.44Å; L126-I130 HydrophobicContact CG-CD1 3.84Å; L126-I130 HydrophobicContact CG-CG1 4.23Å; L126-I130 VanDerWaalsContact O-CB 3.32Å; L126-I130 WeakPolarHBondContact O-CB 3.32Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.42Å; R127-I130 PolarHBondContact O-N 2.7Å; D128-I130 PolarHBondContact O-N 3.36Å; I130-L133 PolarHBondContact O-N 3.18Å; I130-T134 WeakPolarHBondContact O-CB 3.19Å; I130-T134 PolarHBondContact O-N 2.8Å; I130-T134 PolarHBondContact O-OG1 2.75Å; I130-L188 HydrophobicContact CB-CD1 4.31Å; I130-L188 HydrophobicContact CG1-CD1 3.9Å; I130-L188 HydrophobicContact CG2-CD1 3.81Å; I130-L188 HydrophobicContact CG2-CD2 4.35Å; I130-L188 HydrophobicContact CG2-CG 3.76Å; I130-I191 HydrophobicContact CD1-CG2 3.98Å; I130-K192 HydrophobicContact CG2-CB 3.94Å; I130-K192 HydrophobicContact CG2-CD 4.28Å; I130-K192 HydrophobicContact CG2-CG 4.19Å; I130-F244 HydrophobicContact CG1-CD2 4.46Å
131	A	92.5	Very high	94	Very high	31 Å²	31	22.9 Å²	22.9	26%	0.256	12%	0.117	S	C	.	.	H	α-helix	trans	-60.2	-49.2	175.7	0	0	0	0	0	110.9	R127 D128 A129 L133 T134 D135	R127-A131 PolarHBondContact O-N 2.98Å; R127-A131 VanDerWaalsContact O-N 3.17Å; D128-A131 WeakPolarHBondContact O-CB 3.45Å; D128-A131 PolarHBondContact O-N 3.11Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.08Å; A131-L133 PolarHBondContact O-N 3.11Å; A131-T134 WeakPolarHBondContact O-CB 3.45Å; A131-T134 PolarHBondContact O-N 3.37Å; A131-T134 VanDerWaalsContact O-N 3.14Å; A131-D135 PolarHBondContact O-N 3.49Å
132	M	94.1	Very high	94.1	Very high	89 Å²	89	25 Å²	25	44%	0.438	13%	0.132	S	C	.	.	H	α-helix	trans	-59.5	-42.7	177.1	-69.2	-59.9	-55	0	0	113.2	D128 A129 T134 D135 N136	D128-M132 PolarHBondContact O-N 3.15Å; D128-M132 VanDerWaalsContact O-N 3.14Å; A129-M132 PolarHBondContact O-N 3.1Å; M132-T134 VanDerWaalsContact C-N 3.32Å; M132-D135 PolarHBondContact O-N 2.89Å; M132-N136 PolarHBondContact O-N 3.43Å; M132-N136 PolarHBondContact O-ND2 3.35Å
133	L	94.8	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-33.8	177.3	-70.3	176.7	0	0	0	112.6	A129 I130 A131 S137 L188 F244 W247 Y338 V341 H342 L345	A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 3.27Å; I130-L133 PolarHBondContact O-N 3.18Å; A131-L133 PolarHBondContact O-N 3.11Å; L133-S137 WeakPolarHBondContact O-CB 2.96Å; L133-S137 PolarHBondContact O-N 3.44Å; L133-S137 PolarHBondContact O-OG 2.85Å; L133-L188 HydrophobicContact CB-CD2 4Å; L133-F244 HydrophobicContact CD1-CE2 3.62Å; L133-F244 HydrophobicContact CD1-CZ 3.85Å; L133-W247 HydrophobicContact CB-CH2 4.2Å; L133-W247 HydrophobicContact CD1-CH2 3.89Å; L133-W247 HydrophobicContact CD1-CZ3 3.78Å; L133-Y338 HydrophobicContact CD1-CD2 3.71Å; L133-Y338 HydrophobicContact CD1-CE2 4.1Å; L133-Y338 HydrophobicContact CD2-CD2 4.24Å; L133-Y338 HydrophobicContact CD2-CE2 4.13Å; L133-Y338 HydrophobicContact CG-CD2 3.93Å; L133-Y338 HydrophobicContact CG-CE2 3.8Å; L133-V341 HydrophobicContact CD2-CB 4.4Å; L133-V341 HydrophobicContact CD2-CG1 4.04Å; L133-H342 HydrophobicContact CD2-CB 3.9Å; L133-L345 HydrophobicContact CD2-CD1 4.09Å
134	T	94.6	Very high	94.5	Very high	11 Å²	11	26.4 Å²	26.4	7%	0.067	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-50	174.3	-58.5	0	0	0	0	109.5	I130 A131 M132 N136 S137 L138 V185 L188 L189	I130-T134 WeakPolarHBondContact O-CB 3.19Å; I130-T134 PolarHBondContact O-N 2.8Å; I130-T134 PolarHBondContact O-OG1 2.75Å; A131-T134 WeakPolarHBondContact O-CB 3.45Å; A131-T134 PolarHBondContact O-N 3.37Å; A131-T134 VanDerWaalsContact O-N 3.14Å; M132-T134 VanDerWaalsContact C-N 3.32Å; T134-N136 PolarHBondContact O-N 2.95Å; T134-S137 WeakPolarHBondContact O-CB 3.39Å; T134-S137 PolarHBondContact O-N 3.22Å; T134-S137 VanDerWaalsContact O-N 3.14Å; T134-L138 HydrophobicContact CG2-CD1 3.98Å; T134-L138 HydrophobicContact CG2-CG 4.31Å; T134-L138 VanDerWaalsContact O-CG 3.31Å; T134-L138 WeakPolarHBondContact O-CG 3.25Å; T134-L138 PolarHBondContact O-N 3.22Å; T134-V185 HydrophobicContact CG2-CG1 4.2Å; T134-L188 VanDerWaalsContact OG1-CD2 3.22Å; T134-L188 WeakPolarHBondContact OG1-CD2 3.19Å; T134-L189 HydrophobicContact CG2-CD2 4.21Å
135	D	94.6	Very high	94.7	Very high	70 Å²	70	26.3 Å²	26.3	37%	0.374	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-45.3	-179.8	-67.5	-18.2	0	0	0	111.9	A131 M132 S137 L138 Q139	A131-D135 PolarHBondContact O-N 3.49Å; M132-D135 PolarHBondContact O-N 2.89Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 3.17Å; D135-L138 PolarHBondContact O-N 2.78Å; D135-Q139 WeakPolarHBondContact O-CB 3.4Å; D135-Q139 PolarHBondContact O-N 3.09Å
136	N	95.2	Very high	94.8	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.1	-74.2	-23.7	0	0	0	112.1	M132 T134 Q139 L140 H342 L345	M132-N136 PolarHBondContact O-N 3.43Å; M132-N136 PolarHBondContact O-ND2 3.35Å; T134-N136 PolarHBondContact O-N 2.95Å; N136-Q139 PolarHBondContact O-N 3.23Å; N136-L140 PolarHBondContact O-N 3.11Å; N136-H342 PolarHBondContact ND2-CD2 3.09Å; N136-H342 PolarHBondContact ND2-NE2 3Å; N136-L345 HydrophobicContact CB-CB 4.16Å; N136-L345 HydrophobicContact CB-CD1 4.12Å
137	S	95.1	Very high	94.9	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-41.5	177.8	-58.6	0	0	0	0	111.8	L133 T134 D135 Q139 L140 I141 L345	L133-S137 WeakPolarHBondContact O-CB 2.96Å; L133-S137 PolarHBondContact O-N 3.44Å; L133-S137 PolarHBondContact O-OG 2.85Å; T134-S137 WeakPolarHBondContact O-CB 3.39Å; T134-S137 PolarHBondContact O-N 3.22Å; T134-S137 VanDerWaalsContact O-N 3.14Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 3.17Å; S137-Q139 VanDerWaalsContact C-N 3.33Å; S137-Q139 PolarHBondContact O-N 2.91Å; S137-L140 PolarHBondContact O-N 3.01Å; S137-I141 VanDerWaalsContact O-CG1 3.26Å; S137-I141 WeakPolarHBondContact O-CG1 3.5Å; S137-I141 PolarHBondContact O-N 2.98Å; S137-L345 WeakPolarHBondContact OG-CD1 3.34Å
138	L	95.8	Very high	95.1	Very high	11 Å²	11	28 Å²	28	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.1	-69.8	173.6	0	0	0	111.2	T134 D135 I141 S142 V185 W460 L461 R464	T134-L138 HydrophobicContact CG2-CD1 3.98Å; T134-L138 HydrophobicContact CG2-CG 4.31Å; T134-L138 VanDerWaalsContact O-CG 3.31Å; T134-L138 WeakPolarHBondContact O-CG 3.25Å; T134-L138 PolarHBondContact O-N 3.22Å; D135-L138 PolarHBondContact O-N 2.78Å; L138-I141 PolarHBondContact O-N 3.25Å; L138-S142 VanDerWaalsContact O-CB 3.29Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.46Å; L138-V185 HydrophobicContact CD2-CG1 4.23Å; L138-W460 HydrophobicContact CD2-CH2 4.03Å; L138-W460 HydrophobicContact CD2-CZ3 3.77Å; L138-L461 HydrophobicContact CB-CD2 4.43Å; L138-L461 HydrophobicContact CD2-CD2 3.75Å; L138-R464 WeakPolarHBondContact CD1-O 3.44Å; L138-R464 HydrophobicContact CD2-CB 4.47Å
139	Q	95.9	Very high	95.2	Very high	112 Å²	112	26.6 Å²	26.6	52%	0.523	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-42.5	175.6	-171.3	-179.3	8.3	0	0	111.9	D135 N136 S137 S142 T143 T349	D135-Q139 WeakPolarHBondContact O-CB 3.4Å; D135-Q139 PolarHBondContact O-N 3.09Å; N136-Q139 PolarHBondContact O-N 3.23Å; S137-Q139 VanDerWaalsContact C-N 3.33Å; S137-Q139 PolarHBondContact O-N 2.91Å; Q139-S142 PolarHBondContact O-N 2.61Å; Q139-T143 WeakPolarHBondContact O-CB 3.22Å; Q139-T143 PolarHBondContact O-N 2.98Å; Q139-T143 PolarHBondContact O-OG1 3.1Å; Q139-T349 HydrophobicContact CG-CG2 4.24Å
140	L	96.3	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-50.6	174.6	176.7	55.6	0	0	0	111.1	N136 S137 S142 T143 M144 L181 L255 L345 T348 T349 M352	N136-L140 PolarHBondContact O-N 3.11Å; S137-L140 PolarHBondContact O-N 3.01Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 2.96Å; L140-T143 WeakPolarHBondContact O-CB 3.39Å; L140-T143 PolarHBondContact O-N 3.46Å; L140-M144 HydrophobicContact CD1-CG 4.13Å; L140-M144 HydrophobicContact CD1-SD 3.87Å; L140-M144 HydrophobicContact CG-SD 3.97Å; L140-M144 VanDerWaalsContact O-CG 3.28Å; L140-M144 WeakPolarHBondContact O-CG 3.15Å; L140-M144 PolarHBondContact O-N 2.92Å; L140-L181 HydrophobicContact CD2-CD1 3.62Å; L140-L181 HydrophobicContact CG-CD1 3.94Å; L140-L255 HydrophobicContact CD2-CD2 4.24Å; L140-L345 HydrophobicContact CD2-CD2 4.02Å; L140-T348 HydrophobicContact CD1-CG2 3.89Å; L140-T348 HydrophobicContact CD2-CG2 3.86Å; L140-T349 WeakPolarHBondContact CB-OG1 3.5Å; L140-M352 HydrophobicContact CD1-CB 4.41Å; L140-M352 HydrophobicContact CD1-CG 4.24Å
141	I	96.7	Very high	95.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-45.9	178.9	-66.2	164.4	0	0	0	110.3	S137 L138 T143 M144 V145 A178 L181 V185 W460 L461	S137-I141 VanDerWaalsContact O-CG1 3.26Å; S137-I141 WeakPolarHBondContact O-CG1 3.5Å; S137-I141 PolarHBondContact O-N 2.98Å; L138-I141 PolarHBondContact O-N 3.25Å; I141-T143 PolarHBondContact O-N 3.28Å; I141-M144 PolarHBondContact O-N 3.35Å; I141-V145 HydrophobicContact CG2-CG2 4.19Å; I141-V145 WeakPolarHBondContact O-CB 3.4Å; I141-V145 VanDerWaalsContact O-CG2 3.24Å; I141-V145 WeakPolarHBondContact O-CG2 3.45Å; I141-V145 PolarHBondContact O-N 3.37Å; I141-A178 HydrophobicContact CG2-CB 4.42Å; I141-L181 HydrophobicContact CD1-CB 3.91Å; I141-L181 HydrophobicContact CG1-CB 3.74Å; I141-L181 HydrophobicContact CG1-CD1 4.39Å; I141-V185 HydrophobicContact CD1-CG2 3.86Å; I141-W460 HydrophobicContact CD1-CH2 4.15Å; I141-W460 HydrophobicContact CD1-CZ3 4.02Å; I141-L461 HydrophobicContact CB-CD2 4.25Å; I141-L461 HydrophobicContact CG2-CD1 4.27Å; I141-L461 HydrophobicContact CG2-CD2 3.95Å; I141-L461 HydrophobicContact CG2-CG 4.33Å
142	S	96.6	Very high	95.5	Very high	47 Å²	47	33.8 Å²	33.8	33%	0.329	18%	0.178	S	C	.	.	H	α-helix	trans	-57.9	-47.5	176.7	177.8	0	0	0	0	111.5	L138 Q139 L140 M144 V145 E146	L138-S142 VanDerWaalsContact O-CB 3.29Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.46Å; Q139-S142 PolarHBondContact O-N 2.61Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 2.96Å; S142-M144 VanDerWaalsContact C-N 3.31Å; S142-M144 PolarHBondContact O-N 3.09Å; S142-V145 PolarHBondContact O-N 3.42Å; S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.99Å
143	T	96.6	Very high	95.5	Very high	33 Å²	33	32.9 Å²	32.9	20%	0.202	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-42.9	177.8	-57.7	0	0	0	0	111.7	Q139 L140 I141 R147	Q139-T143 WeakPolarHBondContact O-CB 3.22Å; Q139-T143 PolarHBondContact O-N 2.98Å; Q139-T143 PolarHBondContact O-OG1 3.1Å; L140-T143 WeakPolarHBondContact O-CB 3.39Å; L140-T143 PolarHBondContact O-N 3.46Å; I141-T143 PolarHBondContact O-N 3.28Å; T143-R147 VanDerWaalsContact O-CB 3.31Å; T143-R147 WeakPolarHBondContact O-CB 3.34Å; T143-R147 PolarHBondContact O-N 3.16Å
144	M	96.6	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-43.1	178.4	-68.6	176.7	76.4	0	0	112.1	L140 I141 S142 A148 I174 Y177 A178 L181 M258 M352	L140-M144 HydrophobicContact CD1-CG 4.13Å; L140-M144 HydrophobicContact CD1-SD 3.87Å; L140-M144 HydrophobicContact CG-SD 3.97Å; L140-M144 VanDerWaalsContact O-CG 3.28Å; L140-M144 WeakPolarHBondContact O-CG 3.15Å; L140-M144 PolarHBondContact O-N 2.92Å; I141-M144 PolarHBondContact O-N 3.35Å; S142-M144 VanDerWaalsContact C-N 3.31Å; S142-M144 PolarHBondContact O-N 3.09Å; M144-A148 VanDerWaalsContact O-CB 3.28Å; M144-A148 WeakPolarHBondContact O-CB 3.27Å; M144-A148 PolarHBondContact O-N 3.24Å; M144-I174 HydrophobicContact CB-CG2 3.66Å; M144-I174 HydrophobicContact CE-CG2 4.06Å; M144-I174 WeakPolarHBondContact CE-O 3.22Å; M144-I174 HydrophobicContact CG-CG2 4.26Å; M144-I174 VanDerWaalsContact O-CG2 3.25Å; M144-I174 WeakPolarHBondContact O-CG2 3.39Å; M144-Y177 VanDerWaalsContact CE-CB 3.43Å; M144-A178 HydrophobicContact CB-CB 4.3Å; M144-L181 HydrophobicContact SD-CD1 3.86Å; M144-M258 HydrophobicContact CE-SD 3.88Å; M144-M352 HydrophobicContact CE-CE 4.32Å; M144-M352 HydrophobicContact CG-CB 4.45Å; M144-M352 HydrophobicContact CG-CE 4.24Å; M144-M352 HydrophobicContact CG-CG 4.35Å
145	V	96.8	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-44.2	179.4	171.4	0	0	0	0	111.4	I141 S142 A148 A149 L175 A178 V454 L457 R458	I141-V145 HydrophobicContact CG2-CG2 4.19Å; I141-V145 WeakPolarHBondContact O-CB 3.4Å; I141-V145 VanDerWaalsContact O-CG2 3.24Å; I141-V145 WeakPolarHBondContact O-CG2 3.45Å; I141-V145 PolarHBondContact O-N 3.37Å; S142-V145 PolarHBondContact O-N 3.42Å; V145-A148 PolarHBondContact O-N 2.97Å; V145-A149 PolarHBondContact O-N 2.91Å; V145-L175 HydrophobicContact CG2-CD2 4.11Å; V145-A178 HydrophobicContact CG2-CB 4.29Å; V145-V454 HydrophobicContact CG1-CG1 3.92Å; V145-L457 HydrophobicContact CG1-CB 4.43Å; V145-L457 HydrophobicContact CG2-CB 3.77Å; V145-L457 HydrophobicContact CG2-CD1 3.83Å; V145-L457 HydrophobicContact CG2-CG 4.43Å; V145-R458 HydrophobicContact CG1-CG 3.89Å
146	E	96.1	Very high	95.6	Very high	74 Å²	74	29.6 Å²	29.6	35%	0.346	16%	0.157	S	C	.	.	H	α-helix	trans	-66.7	-41	178.4	-67.9	-50.6	131.2	0	0	111.8	S142 A148 A149 I150 R458	S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.99Å; E146-A148 PolarHBondContact O-N 3.06Å; E146-A149 WeakPolarHBondContact O-CB 3.44Å; E146-A149 PolarHBondContact O-N 3.37Å; E146-I150 WeakPolarHBondContact O-CG1 3.22Å; E146-I150 PolarHBondContact O-N 2.83Å; E146-I150 VanDerWaalsContact O-N 3.14Å; E146-R458 VanDerWaalsContact CD-NH2 3.33Å; E146-R458 IonicContact OE1-CZ 2.8Å; E146-R458 IonicContact OE1-NE 2.7Å; E146-R458 PolarHBondContact OE1-NE 2.94Å; E146-R458 IonicContact OE1-NH2 3.61Å; E146-R458 PolarHBondContact OE1-NH2 2.89Å; E146-R458 IonicContact OE2-CZ 3.69Å; E146-R458 IonicContact OE2-NE 2.85Å; E146-R458 IonicContact OE2-NH2 3.84Å; E146-R458 PolarHBondContact OE2-NH2 3.13Å
147	R	95.3	Very high	95.6	Very high	29 Å²	29	29 Å²	29	11%	0.109	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-44.9	172.8	179.7	-178.4	-87.9	-106.8	7.7	111.5	T143 A149 I150 E151 I174 M352 S353 L355	T143-R147 VanDerWaalsContact O-CB 3.31Å; T143-R147 WeakPolarHBondContact O-CB 3.34Å; T143-R147 PolarHBondContact O-N 3.16Å; R147-A149 PolarHBondContact O-N 2.84Å; R147-I150 PolarHBondContact O-N 3.35Å; R147-E151 WeakPolarHBondContact CD-OE2 3.17Å; R147-E151 VanDerWaalsContact CG-CD 3.49Å; R147-E151 HydrophobicContact CG-CG 4.25Å; R147-E151 WeakPolarHBondContact CG-OE2 3.43Å; R147-E151 IonicContact CZ-OE1 3.75Å; R147-E151 IonicContact NH1-OE1 2.65Å; R147-E151 PolarHBondContact NH1-OE1 2.68Å; R147-E151 IonicContact NH1-OE2 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.21Å; R147-E151 PolarHBondContact O-N 3.27Å; R147-I174 HydrophobicContact CG-CD1 3.9Å; R147-M352 PolarHBondContact NE-O 2.9Å; R147-M352 PolarHBondContact NH2-O 3.09Å; R147-S353 PolarHBondContact NH2-O 3.32Å; R147-L355 VanDerWaalsContact CZ-O 3.27Å; R147-L355 PolarHBondContact NH1-O 3Å; R147-L355 PolarHBondContact NH2-O 3.39Å
148	A	95.6	Very high	95.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-34.4	177.2	0	0	0	0	0	112.4	M144 V145 E146 I152 S171 I174 L175	M144-A148 VanDerWaalsContact O-CB 3.28Å; M144-A148 WeakPolarHBondContact O-CB 3.27Å; M144-A148 PolarHBondContact O-N 3.24Å; V145-A148 PolarHBondContact O-N 2.97Å; E146-A148 PolarHBondContact O-N 3.06Å; A148-I152 PolarHBondContact O-N 3.04Å; A148-S171 WeakPolarHBondContact CA-OG 3.42Å; A148-S171 WeakPolarHBondContact O-CB 3.2Å; A148-S171 PolarHBondContact O-OG 3.03Å; A148-I174 HydrophobicContact CB-CB 4.22Å; A148-I174 HydrophobicContact CB-CG2 4.17Å; A148-L175 HydrophobicContact CB-CD1 4.38Å; A148-L175 HydrophobicContact CB-CD2 3.71Å; A148-L175 HydrophobicContact CB-CG 3.78Å
149	A	94.6	Very high	95.5	Very high	31 Å²	31	31 Å²	31	26%	0.256	16%	0.164	S	C	.	.	H	α-helix	trans	-67.6	-40.8	175.8	0	0	0	0	0	112.5	V145 E146 R147 V454	V145-A149 PolarHBondContact O-N 2.91Å; E146-A149 WeakPolarHBondContact O-CB 3.44Å; E146-A149 PolarHBondContact O-N 3.37Å; R147-A149 PolarHBondContact O-N 2.84Å; A149-V454 HydrophobicContact CB-CG1 3.96Å
150	I	95.4	Very high	95.3	Very high	141 Å²	141	29.6 Å²	29.6	72%	0.723	16%	0.163	S	C	*	.	H	α-helix	trans	-71.6	-41.4	179.7	-65.2	166	0	0	0	111.1	E146 R147 I152	E146-I150 WeakPolarHBondContact O-CG1 3.22Å; E146-I150 PolarHBondContact O-N 2.83Å; E146-I150 VanDerWaalsContact O-N 3.14Å; R147-I150 PolarHBondContact O-N 3.35Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 2.88Å
151	E	95.1	Very high	95.2	Very high	30 Å²	30	38.4 Å²	38.4	14%	0.14	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17.7	-172.7	-59.9	176	158.6	0	0	113	R147 D153 V154 W170 S171 I357	R147-E151 WeakPolarHBondContact CD-OE2 3.17Å; R147-E151 VanDerWaalsContact CG-CD 3.49Å; R147-E151 HydrophobicContact CG-CG 4.25Å; R147-E151 WeakPolarHBondContact CG-OE2 3.43Å; R147-E151 IonicContact CZ-OE1 3.75Å; R147-E151 IonicContact NH1-OE1 2.65Å; R147-E151 PolarHBondContact NH1-OE1 2.68Å; R147-E151 IonicContact NH1-OE2 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.21Å; R147-E151 PolarHBondContact O-N 3.27Å; E151-D153 PolarHBondContact O-N 3.38Å; E151-D153 VanDerWaalsContact O-N 3.09Å; E151-V154 HydrophobicContact CB-CG2 4.36Å; E151-V154 WeakPolarHBondContact O-CB 3.41Å; E151-V154 WeakPolarHBondContact O-CG2 3.48Å; E151-V154 PolarHBondContact O-N 3.47Å; E151-V154 VanDerWaalsContact O-N 3.09Å; E151-W170 VanDerWaalsContact OE2-CD1 3.27Å; E151-W170 PolarHBondContact OE2-NE1 3.45Å; E151-S171 PolarHBondContact O-OG 3.38Å; E151-S171 VanDerWaalsContact O-OG 3.13Å; E151-I357 HydrophobicContact CB-CD1 4.37Å; E151-I357 HydrophobicContact CG-CD1 4.07Å
152	I	94.3	Very high	94.9	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.082	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.2	-170.6	-162.2	166.8	0	0	0	114.4	A148 I150 V154 R169 S171 K447 V450 S451	A148-I152 PolarHBondContact O-N 3.04Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 2.88Å; I152-V154 VanDerWaalsContact C-N 3.32Å; I152-R169 WeakPolarHBondContact O-CD 3.45Å; I152-R169 PolarHBondContact O-NH1 3.14Å; I152-S171 VanDerWaalsContact CA-OG 3.22Å; I152-S171 WeakPolarHBondContact CA-OG 3.35Å; I152-S171 PolarHBondContact N-OG 3Å; I152-K447 HydrophobicContact CD1-CG 4.01Å; I152-K447 HydrophobicContact CG1-CG 4.34Å; I152-V450 HydrophobicContact CD1-CB 4.3Å; I152-V450 HydrophobicContact CD1-CG1 3.95Å; I152-V450 HydrophobicContact CG1-CB 4.48Å; I152-V450 HydrophobicContact CG1-CG1 3.95Å; I152-S451 WeakPolarHBondContact CD1-OG 3.35Å
153	D	93.8	Very high	94.5	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.3	-175.7	-72.1	-48.9	0	0	0	114	E151 R169 K447	E151-D153 PolarHBondContact O-N 3.38Å; E151-D153 VanDerWaalsContact O-N 3.09Å; D153-R169 IonicContact OD1-NH1 2.61Å; D153-K447 VanDerWaalsContact CG-NZ 3.27Å; D153-K447 IonicContact OD1-NZ 2.64Å; D153-K447 PolarHBondContact OD1-NZ 3.2Å; D153-K447 IonicContact OD2-NZ 3.78Å; D153-K447 PolarHBondContact OD2-NZ 3.2Å
154	V	95.5	Very high	94.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	25%	0.248	C	C	.	.			trans	-80.8	128.1	-178.7	-178.2	0	0	0	0	110.7	E151 I152 R169 W170 I357 Q359 M362	E151-V154 HydrophobicContact CB-CG2 4.36Å; E151-V154 WeakPolarHBondContact O-CB 3.41Å; E151-V154 WeakPolarHBondContact O-CG2 3.48Å; E151-V154 PolarHBondContact O-N 3.47Å; E151-V154 VanDerWaalsContact O-N 3.09Å; I152-V154 VanDerWaalsContact C-N 3.32Å; V154-R169 WeakPolarHBondContact O-CA 3.43Å; V154-W170 HydrophobicContact CB-CB 4.03Å; V154-W170 HydrophobicContact CG1-CB 3.92Å; V154-W170 PolarHBondContact O-N 3.4Å; V154-I357 HydrophobicContact CB-CD1 4.39Å; V154-I357 HydrophobicContact CG1-CD1 4.13Å; V154-I357 HydrophobicContact CG2-CD1 3.8Å; V154-Q359 HydrophobicContact CG1-CG 4.1Å; V154-Q359 HydrophobicContact CG2-CG 3.79Å; V154-M362 HydrophobicContact CG1-SD 3.8Å
155	L	94.8	Very high	94	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.1	176.4	-55.4	-173.9	0	0	0	110.7	V168 R169 M362 L366 R433 V436	L155-V168 WeakPolarHBondContact CA-O 3.46Å; L155-R169 HydrophobicContact CD2-CG 3.76Å; L155-M362 WeakPolarHBondContact O-CB 3.22Å; L155-L366 HydrophobicContact CB-CD1 4.12Å; L155-R433 HydrophobicContact CD1-CG 3.99Å; L155-V436 HydrophobicContact CD1-CG2 4.48Å; L155-V436 HydrophobicContact CD2-CG1 4.07Å; L155-V436 HydrophobicContact CD2-CG2 3.96Å
156	F	95.3	Very high	93.8	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.9	173.2	92.6	-66.9	0	0	0	110	G158 Y159 V168 W170 W173 Y265 F272 M362	F156-G158 PolarHBondContact O-N 2.95Å; F156-Y159 HydrophobicContact CE2-CE2 4.42Å; F156-V168 HydrophobicContact CD1-CG2 3.63Å; F156-V168 HydrophobicContact CE1-CG2 3.25Å; F156-V168 HydrophobicContact CZ-CG2 3.93Å; F156-V168 PolarHBondContact N-O 2.88Å; F156-V168 PolarHBondContact O-N 3.42Å; F156-W170 HydrophobicContact CD1-CB 4.19Å; F156-W170 HydrophobicContact CD1-CE3 4.45Å; F156-W170 HydrophobicContact CE1-CE3 4.44Å; F156-W173 HydrophobicContact CE1-CB 3.65Å; F156-W173 HydrophobicContact CE1-CG 4.33Å; F156-W173 HydrophobicContact CZ-CB 3.61Å; F156-W173 AromaticContact CZ-CD1 3.92Å; F156-W173 AromaticContact CZ-CG 3.81Å; F156-W173 HydrophobicContact CZ-CG 3.81Å; F156-Y265 HydrophobicContact CE2-CE2 4.27Å; F156-Y265 AromaticContact CE2-CZ 3.94Å; F156-F272 HydrophobicContact CD2-CE2 4.47Å; F156-M362 HydrophobicContact CB-CB 3.89Å; F156-M362 HydrophobicContact CB-CG 4.1Å; F156-M362 HydrophobicContact CB-SD 4.22Å
157	P	94.7	Very high	93.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.2	178	26.7	-34.1	0	0	0	111.4	Y159 K164 F272 A365 L366 M370	P157-Y159 HydrophobicContact CB-CE2 4.18Å; P157-Y159 HydrophobicContact CG-CE2 3.83Å; P157-Y159 VanDerWaalsContact CG-OH 3.32Å; P157-Y159 WeakPolarHBondContact CG-OH 3.34Å; P157-Y159 WeakPolarHBondContact O-CD2 3.39Å; P157-Y159 WeakPolarHBondContact O-CE2 3.47Å; P157-K164 HydrophobicContact CB-CG 4.19Å; P157-F272 HydrophobicContact CG-CE2 4.03Å; P157-F272 HydrophobicContact CG-CZ 3.73Å; P157-A365 HydrophobicContact CG-CB 4.09Å; P157-L366 HydrophobicContact CB-CD2 4.16Å; P157-M370 HydrophobicContact CB-CE 3.64Å
158	G	94.6	Very high	93.7	Very high	11 Å²	11	50.8 Å²	50.8	11%	0.113	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.7	167.7	0	0	0	0	0	110.8	F156 A165 Q166	F156-G158 PolarHBondContact O-N 2.95Å; G158-A165 PolarHBondContact O-N 3.08Å; G158-Q166 WeakPolarHBondContact CA-O 3.4Å; G158-Q166 PolarHBondContact N-O 3.28Å
159	Y	94.6	Very high	93.7	Very high	45 Å²	45	51 Å²	51	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.3	-174.2	-65.9	-91.1	0	0	0	112.5	F156 P157 Q163 K164 Y265 Y270 F272	F156-Y159 HydrophobicContact CE2-CE2 4.42Å; P157-Y159 HydrophobicContact CB-CE2 4.18Å; P157-Y159 HydrophobicContact CG-CE2 3.83Å; P157-Y159 VanDerWaalsContact CG-OH 3.32Å; P157-Y159 WeakPolarHBondContact CG-OH 3.34Å; P157-Y159 WeakPolarHBondContact O-CD2 3.39Å; P157-Y159 WeakPolarHBondContact O-CE2 3.47Å; Y159-Q163 VanDerWaalsContact CA-O 3.32Å; Y159-Q163 WeakPolarHBondContact CA-O 3.43Å; Y159-K164 HydrophobicContact CE1-CG 3.99Å; Y159-Y265 HydrophobicContact CD2-CE1 4.43Å; Y159-Y265 HydrophobicContact CE2-CE1 4.12Å; Y159-Y270 AromaticContact CE1-CE1 3.92Å; Y159-Y270 HydrophobicContact CE1-CE1 3.92Å; Y159-Y270 AromaticContact CZ-CE1 3.68Å; Y159-Y270 VanDerWaalsContact OH-CE1 3.29Å; Y159-Y270 WeakPolarHBondContact OH-CE1 3.46Å; Y159-F272 HydrophobicContact CE2-CE2 4.14Å; Y159-F272 VanDerWaalsContact OH-CE2 3.29Å; Y159-F272 WeakPolarHBondContact OH-CE2 3.2Å; Y159-F272 WeakPolarHBondContact OH-CZ 3.37Å
160	T	93.1	Very high	93.8	Very high	83 Å²	83	49.6 Å²	49.6	51%	0.509	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.2	162.5	60.9	0	0	0	0	107.8	M162 Q163 A165	T160-M162 PolarHBondContact O-N 3.49Å; T160-M162 VanDerWaalsContact O-N 3.15Å; T160-Q163 PolarHBondContact N-O 3.14Å; T160-Q163 WeakPolarHBondContact O-CA 3.49Å; T160-Q163 WeakPolarHBondContact O-CB 3.41Å; T160-Q163 PolarHBondContact O-N 2.91Å; T160-A165 HydrophobicContact CG2-CB 4.26Å
161	H	92.6	Very high	93.9	Very high	185 Å²	185	42.9 Å²	42.9	86%	0.856	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	29.7	-171.1	-50.9	-83.3	0	0	0	114.1	Q163	H161-Q163 PolarHBondContact O-N 3.5Å; H161-Q163 VanDerWaalsContact O-N 3.1Å
162	M	90.4	Very high	94	Very high	80 Å²	80	43.6 Å²	43.6	39%	0.394	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	16.9	-170.7	-62.9	-55.8	-55.9	0	0	114.6	T160 L264	T160-M162 PolarHBondContact O-N 3.49Å; T160-M162 VanDerWaalsContact O-N 3.15Å; M162-L264 HydrophobicContact CE-CD1 3.66Å; M162-L264 HydrophobicContact SD-CD1 4.12Å
163	Q	89.6	Confident	94.1	Very high	136 Å²	136	43.8 Å²	43.8	64%	0.636	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.1	169.7	-64.6	-60.4	-36.3	0	0	110.1	Y159 T160 H161 A165	Y159-Q163 VanDerWaalsContact CA-O 3.32Å; Y159-Q163 WeakPolarHBondContact CA-O 3.43Å; T160-Q163 PolarHBondContact N-O 3.14Å; T160-Q163 WeakPolarHBondContact O-CA 3.49Å; T160-Q163 WeakPolarHBondContact O-CB 3.41Å; T160-Q163 PolarHBondContact O-N 2.91Å; H161-Q163 PolarHBondContact O-N 3.5Å; H161-Q163 VanDerWaalsContact O-N 3.1Å; Q163-A165 PolarHBondContact O-N 3.04Å
164	K	91.9	Very high	94.3	Very high	100 Å²	100	40.5 Å²	40.5	44%	0.435	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	114.3	176	-81.4	178.4	-177.8	-168.5	0	109.5	P157 Y159 A365 M370	P157-K164 HydrophobicContact CB-CG 4.19Å; Y159-K164 HydrophobicContact CE1-CG 3.99Å; K164-A365 WeakPolarHBondContact CE-O 3.48Å; K164-A365 PolarHBondContact NZ-O 3.34Å; K164-M370 HydrophobicContact CB-CE 3.42Å; K164-M370 VanDerWaalsContact CB-CE 3.42Å; K164-M370 HydrophobicContact CD-CE 3.54Å; K164-M370 HydrophobicContact CG-CE 3.57Å
165	A	90.3	Very high	94.4	Very high	33 Å²	33	40.3 Å²	40.3	27%	0.273	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-73	-177.1	0	0	0	0	0	111.7	G158 T160 Q163	G158-A165 PolarHBondContact O-N 3.08Å; T160-A165 HydrophobicContact CG2-CB 4.26Å; Q163-A165 PolarHBondContact O-N 3.04Å
166	Q	91.8	Very high	94.5	Very high	73 Å²	73	42.7 Å²	42.7	34%	0.341	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.9	-175.3	66.3	-170	-84.9	0	0	110.1	G158 V168 Y439	G158-Q166 WeakPolarHBondContact CA-O 3.4Å; G158-Q166 PolarHBondContact N-O 3.28Å; Q166-V168 HydrophobicContact CG-CG1 4.03Å; Q166-Y439 PolarHBondContact OE1-OH 3.3Å; Q166-Y439 VanDerWaalsContact OE1-OH 3.13Å
167	P	93.9	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.3	170.4	28.3	-34.4	0	0	0	109.8	L366 Y432 S435 V436	P167-L366 HydrophobicContact CB-CD1 4.42Å; P167-L366 HydrophobicContact CB-CD2 3.98Å; P167-Y432 HydrophobicContact CG-CD1 4.46Å; P167-S435 WeakPolarHBondContact CG-OG 3.36Å; P167-V436 HydrophobicContact CB-CG1 4.03Å; P167-V436 HydrophobicContact CG-CG1 4.26Å; P167-V436 WeakPolarHBondContact O-CG1 3.49Å
168	V	96.1	Very high	94.6	Very high	20 Å²	20	43 Å²	43	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.9	174.2	-60.8	0	0	0	0	109.6	L155 F156 Q166 T445	L155-V168 WeakPolarHBondContact CA-O 3.46Å; F156-V168 HydrophobicContact CD1-CG2 3.63Å; F156-V168 HydrophobicContact CE1-CG2 3.25Å; F156-V168 HydrophobicContact CZ-CG2 3.93Å; F156-V168 PolarHBondContact N-O 2.88Å; F156-V168 PolarHBondContact O-N 3.42Å; Q166-V168 HydrophobicContact CG-CG1 4.03Å; V168-T445 HydrophobicContact CG1-CG2 4.49Å
169	R	96	Very high	94.7	Very high	6 Å²	6	45 Å²	45	2%	0.023	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.4	171.7	-67	-177.4	-179.8	-77.9	-7	110.4	I152 D153 V154 L155 S171 H172 W173 E437 T445	I152-R169 WeakPolarHBondContact O-CD 3.45Å; I152-R169 PolarHBondContact O-NH1 3.14Å; D153-R169 IonicContact OD1-NH1 2.61Å; V154-R169 WeakPolarHBondContact O-CA 3.43Å; L155-R169 HydrophobicContact CD2-CG 3.76Å; R169-S171 PolarHBondContact O-N 3.43Å; R169-H172 HydrophobicContact CB-CB 4.16Å; R169-H172 WeakPolarHBondContact O-CA 3.49Å; R169-H172 VanDerWaalsContact O-CB 3.23Å; R169-H172 WeakPolarHBondContact O-CB 3.5Å; R169-H172 PolarHBondContact O-N 2.95Å; R169-W173 PolarHBondContact O-N 3.29Å; R169-E437 IonicContact CZ-OE1 3.15Å; R169-E437 IonicContact NE-OE1 3.74Å; R169-E437 IonicContact NH2-OE1 3.46Å; R169-E437 PolarHBondContact NH2-OE1 3.28Å; R169-T445 WeakPolarHBondContact CD-O 3.35Å; R169-T445 WeakPolarHBondContact CG-O 3.25Å; R169-T445 PolarHBondContact N-OG1 2.94Å; R169-T445 PolarHBondContact NE-O 3.45Å; R169-T445 VanDerWaalsContact NE-O 3.15Å
170	W	96.6	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-41.6	172.7	165.5	-108	0	0	0	111.5	E151 V154 F156 H172 W173 I174 L262 Y265 V273 L355 I357 M362	E151-W170 VanDerWaalsContact OE2-CD1 3.27Å; E151-W170 PolarHBondContact OE2-NE1 3.45Å; V154-W170 HydrophobicContact CB-CB 4.03Å; V154-W170 HydrophobicContact CG1-CB 3.92Å; V154-W170 PolarHBondContact O-N 3.4Å; F156-W170 HydrophobicContact CD1-CB 4.19Å; F156-W170 HydrophobicContact CD1-CE3 4.45Å; F156-W170 HydrophobicContact CE1-CE3 4.44Å; W170-H172 PolarHBondContact O-N 2.92Å; W170-W173 HydrophobicContact CD2-CE3 4.32Å; W170-W173 HydrophobicContact CE3-CD2 4.32Å; W170-W173 AromaticContact CE3-CE3 3.83Å; W170-W173 HydrophobicContact CE3-CE3 3.83Å; W170-W173 HydrophobicContact CE3-CZ3 4.47Å; W170-W173 HydrophobicContact CH2-CD2 4.28Å; W170-W173 AromaticContact CH2-CE3 3.38Å; W170-W173 HydrophobicContact CH2-CE3 3.38Å; W170-W173 AromaticContact CH2-CH2 3.91Å; W170-W173 HydrophobicContact CH2-CH2 3.91Å; W170-W173 AromaticContact CH2-CZ3 3.16Å; W170-W173 HydrophobicContact CH2-CZ3 3.16Å; W170-W173 AromaticContact CZ2-CE3 3.9Å; W170-W173 HydrophobicContact CZ2-CE3 3.9Å; W170-W173 AromaticContact CZ2-CZ3 3.69Å; W170-W173 HydrophobicContact CZ2-CZ3 3.69Å; W170-W173 AromaticContact CZ3-CD2 3.86Å; W170-W173 HydrophobicContact CZ3-CD2 3.86Å; W170-W173 AromaticContact CZ3-CE3 3.33Å; W170-W173 HydrophobicContact CZ3-CE3 3.33Å; W170-W173 HydrophobicContact CZ3-CH2 4.35Å; W170-W173 AromaticContact CZ3-CZ3 3.63Å; W170-W173 HydrophobicContact CZ3-CZ3 3.63Å; W170-W173 WeakPolarHBondContact O-CB 3.38Å; W170-W173 PolarHBondContact O-N 2.91Å; W170-I174 HydrophobicContact CD2-CD1 4.45Å; W170-I174 HydrophobicContact CD2-CG1 4.47Å; W170-I174 HydrophobicContact CG-CD1 4.49Å; W170-I174 HydrophobicContact CZ2-CD1 4.1Å; W170-I174 HydrophobicContact CZ2-CG1 4.07Å; W170-I174 PolarHBondContact O-N 3.03Å; W170-L262 HydrophobicContact CH2-CD2 4.29Å; W170-Y265 HydrophobicContact CZ3-CD2 4.17Å; W170-Y265 HydrophobicContact CZ3-CE2 4.24Å; W170-V273 HydrophobicContact CH2-CG1 3.97Å; W170-V273 HydrophobicContact CZ3-CG1 4.49Å; W170-L355 HydrophobicContact CZ2-CD1 4.13Å; W170-I357 HydrophobicContact CZ2-CG2 3.91Å; W170-M362 HydrophobicContact CD2-CE 4.07Å; W170-M362 HydrophobicContact CE3-CE 3.79Å; W170-M362 HydrophobicContact CZ3-CE 4.05Å
171	S	96.8	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-32.4	173.3	-62	0	0	0	0	113.5	A148 E151 I152 R169 W173 I174 L175	A148-S171 WeakPolarHBondContact CA-OG 3.42Å; A148-S171 WeakPolarHBondContact O-CB 3.2Å; A148-S171 PolarHBondContact O-OG 3.03Å; E151-S171 PolarHBondContact O-OG 3.38Å; E151-S171 VanDerWaalsContact O-OG 3.13Å; I152-S171 VanDerWaalsContact CA-OG 3.22Å; I152-S171 WeakPolarHBondContact CA-OG 3.35Å; I152-S171 PolarHBondContact N-OG 3Å; R169-S171 PolarHBondContact O-N 3.43Å; S171-W173 VanDerWaalsContact C-N 3.35Å; S171-I174 PolarHBondContact O-N 2.9Å; S171-L175 WeakPolarHBondContact O-CB 3.32Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.34Å; S171-L175 PolarHBondContact O-N 3.48Å
172	H	97.3	Very high	94.9	Very high	46 Å²	46	32 Å²	32	21%	0.213	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-37	176.5	-168.7	57.4	0	0	0	111.6	R169 W170 L175 S176 G443 V450	R169-H172 HydrophobicContact CB-CB 4.16Å; R169-H172 WeakPolarHBondContact O-CA 3.49Å; R169-H172 VanDerWaalsContact O-CB 3.23Å; R169-H172 WeakPolarHBondContact O-CB 3.5Å; R169-H172 PolarHBondContact O-N 2.95Å; W170-H172 PolarHBondContact O-N 2.92Å; H172-L175 PolarHBondContact O-N 3.46Å; H172-S176 PolarHBondContact O-N 2.76Å; H172-G443 PolarHBondContact CE1-O 2.77Å; H172-V450 HydrophobicContact CB-CG2 4.07Å
173	W	97.4	Very high	95.2	Very high	20 Å²	20	32.9 Å²	32.9	8%	0.076	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-45	171.8	173.3	91.1	0	0	0	111.7	F156 R169 W170 S171 L175 S176 Y177 M258 D261 L262 Y265 M352	F156-W173 HydrophobicContact CE1-CB 3.65Å; F156-W173 HydrophobicContact CE1-CG 4.33Å; F156-W173 HydrophobicContact CZ-CB 3.61Å; F156-W173 AromaticContact CZ-CD1 3.92Å; F156-W173 AromaticContact CZ-CG 3.81Å; F156-W173 HydrophobicContact CZ-CG 3.81Å; R169-W173 PolarHBondContact O-N 3.29Å; W170-W173 HydrophobicContact CD2-CE3 4.32Å; W170-W173 HydrophobicContact CE3-CD2 4.32Å; W170-W173 AromaticContact CE3-CE3 3.83Å; W170-W173 HydrophobicContact CE3-CE3 3.83Å; W170-W173 HydrophobicContact CE3-CZ3 4.47Å; W170-W173 HydrophobicContact CH2-CD2 4.28Å; W170-W173 AromaticContact CH2-CE3 3.38Å; W170-W173 HydrophobicContact CH2-CE3 3.38Å; W170-W173 AromaticContact CH2-CH2 3.91Å; W170-W173 HydrophobicContact CH2-CH2 3.91Å; W170-W173 AromaticContact CH2-CZ3 3.16Å; W170-W173 HydrophobicContact CH2-CZ3 3.16Å; W170-W173 AromaticContact CZ2-CE3 3.9Å; W170-W173 HydrophobicContact CZ2-CE3 3.9Å; W170-W173 AromaticContact CZ2-CZ3 3.69Å; W170-W173 HydrophobicContact CZ2-CZ3 3.69Å; W170-W173 AromaticContact CZ3-CD2 3.86Å; W170-W173 HydrophobicContact CZ3-CD2 3.86Å; W170-W173 AromaticContact CZ3-CE3 3.33Å; W170-W173 HydrophobicContact CZ3-CE3 3.33Å; W170-W173 HydrophobicContact CZ3-CH2 4.35Å; W170-W173 AromaticContact CZ3-CZ3 3.63Å; W170-W173 HydrophobicContact CZ3-CZ3 3.63Å; W170-W173 WeakPolarHBondContact O-CB 3.38Å; W170-W173 PolarHBondContact O-N 2.91Å; S171-W173 VanDerWaalsContact C-N 3.35Å; W173-L175 PolarHBondContact O-N 2.87Å; W173-S176 WeakPolarHBondContact O-CB 3.49Å; W173-S176 PolarHBondContact O-N 3.27Å; W173-S176 PolarHBondContact O-OG 3.44Å; W173-Y177 HydrophobicContact CD2-CD2 4.4Å; W173-Y177 HydrophobicContact CD2-CE2 4.23Å; W173-Y177 AromaticContact CE2-CD2 4Å; W173-Y177 AromaticContact CE2-CE2 3.46Å; W173-Y177 VanDerWaalsContact CE2-CE2 3.46Å; W173-Y177 HydrophobicContact CH2-CD2 4.34Å; W173-Y177 HydrophobicContact CH2-CE2 4.28Å; W173-Y177 AromaticContact CZ2-CD2 3.97Å; W173-Y177 HydrophobicContact CZ2-CD2 3.97Å; W173-Y177 AromaticContact CZ2-CE2 3.49Å; W173-Y177 HydrophobicContact CZ2-CE2 3.49Å; W173-Y177 VanDerWaalsContact CZ2-CE2 3.49Å; W173-Y177 AromaticContact NE1-CE2 3.5Å; W173-M258 HydrophobicContact CH2-CG 4.19Å; W173-M258 HydrophobicContact CZ2-CG 4.34Å; W173-D261 HydrophobicContact CZ2-CB 3.69Å; W173-D261 PolarHBondContact NE1-OD2 2.86Å; W173-L262 HydrophobicContact CH2-CD1 4.41Å; W173-L262 HydrophobicContact CH2-CD2 3.56Å; W173-L262 HydrophobicContact CH2-CG 3.79Å; W173-L262 HydrophobicContact CZ2-CD2 4.3Å; W173-L262 HydrophobicContact CZ2-CG 4.29Å; W173-L262 HydrophobicContact CZ3-CD2 4.25Å; W173-Y265 HydrophobicContact CD2-CE2 4.42Å; W173-Y265 AromaticContact CE2-CE2 3.78Å; W173-Y265 AromaticContact CZ2-CE2 3.99Å; W173-Y265 HydrophobicContact CZ2-CE2 3.99Å; W173-Y265 AromaticContact NE1-CE2 3.76Å; W173-M352 HydrophobicContact CZ3-CE 4.38Å
174	I	97.1	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-49.8	175.9	-63.7	170.6	0	0	0	110.6	M144 R147 A148 W170 S171 S176 Y177 A178 M352	M144-I174 HydrophobicContact CB-CG2 3.66Å; M144-I174 HydrophobicContact CE-CG2 4.06Å; M144-I174 WeakPolarHBondContact CE-O 3.22Å; M144-I174 HydrophobicContact CG-CG2 4.26Å; M144-I174 VanDerWaalsContact O-CG2 3.25Å; M144-I174 WeakPolarHBondContact O-CG2 3.39Å; R147-I174 HydrophobicContact CG-CD1 3.9Å; A148-I174 HydrophobicContact CB-CB 4.22Å; A148-I174 HydrophobicContact CB-CG2 4.17Å; W170-I174 HydrophobicContact CD2-CD1 4.45Å; W170-I174 HydrophobicContact CD2-CG1 4.47Å; W170-I174 HydrophobicContact CG-CD1 4.49Å; W170-I174 HydrophobicContact CZ2-CD1 4.1Å; W170-I174 HydrophobicContact CZ2-CG1 4.07Å; W170-I174 PolarHBondContact O-N 3.03Å; S171-I174 PolarHBondContact O-N 2.9Å; I174-S176 PolarHBondContact O-N 2.93Å; I174-Y177 PolarHBondContact O-N 3.19Å; I174-Y177 VanDerWaalsContact O-N 3.16Å; I174-A178 PolarHBondContact O-N 3.02Å; I174-A178 VanDerWaalsContact O-N 3.15Å; I174-M352 HydrophobicContact CG1-CE 4.48Å; I174-M352 HydrophobicContact CG2-CE 4.43Å
175	L	97	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-29.5	-178.5	-67.4	177.7	0	0	0	112.4	V145 A148 S171 H172 W173 Y177 A178 V179 V450 Q453 V454 L457	V145-L175 HydrophobicContact CG2-CD2 4.11Å; A148-L175 HydrophobicContact CB-CD1 4.38Å; A148-L175 HydrophobicContact CB-CD2 3.71Å; A148-L175 HydrophobicContact CB-CG 3.78Å; S171-L175 WeakPolarHBondContact O-CB 3.32Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.34Å; S171-L175 PolarHBondContact O-N 3.48Å; H172-L175 PolarHBondContact O-N 3.46Å; W173-L175 PolarHBondContact O-N 2.87Å; L175-Y177 PolarHBondContact O-N 3.43Å; L175-A178 PolarHBondContact O-N 3.47Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.21Å; L175-V179 PolarHBondContact O-N 3.36Å; L175-V450 HydrophobicContact CD1-CG1 3.82Å; L175-Q453 HydrophobicContact CD1-CB 3.88Å; L175-V454 HydrophobicContact CD1-CG2 3.8Å; L175-V454 HydrophobicContact CD2-CG2 4.24Å; L175-L457 HydrophobicContact CD2-CD1 3.81Å
176	S	97.2	Very high	95.8	Very high	54 Å²	54	23.3 Å²	23.3	38%	0.378	12%	0.117	S	C	.	.	H	α-helix	trans	-57.1	-39.1	175.4	82.4	0	0	0	0	112.1	H172 W173 I174 V180	H172-S176 PolarHBondContact O-N 2.76Å; W173-S176 WeakPolarHBondContact O-CB 3.49Å; W173-S176 PolarHBondContact O-N 3.27Å; W173-S176 PolarHBondContact O-OG 3.44Å; I174-S176 PolarHBondContact O-N 2.93Å; S176-V180 WeakPolarHBondContact O-CG2 3.18Å; S176-V180 PolarHBondContact O-N 3.43Å
177	Y	97.1	Very high	95.9	Very high	10 Å²	10	23.9 Å²	23.9	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-78.9	-35.8	175.7	-72.9	-70.4	0	0	0	112.6	M144 W173 I174 L175 V179 V180 L181 K257 M258 D261	M144-Y177 VanDerWaalsContact CE-CB 3.43Å; W173-Y177 HydrophobicContact CD2-CD2 4.4Å; W173-Y177 HydrophobicContact CD2-CE2 4.23Å; W173-Y177 AromaticContact CE2-CD2 4Å; W173-Y177 AromaticContact CE2-CE2 3.46Å; W173-Y177 VanDerWaalsContact CE2-CE2 3.46Å; W173-Y177 HydrophobicContact CH2-CD2 4.34Å; W173-Y177 HydrophobicContact CH2-CE2 4.28Å; W173-Y177 AromaticContact CZ2-CD2 3.97Å; W173-Y177 HydrophobicContact CZ2-CD2 3.97Å; W173-Y177 AromaticContact CZ2-CE2 3.49Å; W173-Y177 HydrophobicContact CZ2-CE2 3.49Å; W173-Y177 VanDerWaalsContact CZ2-CE2 3.49Å; W173-Y177 AromaticContact NE1-CE2 3.5Å; I174-Y177 PolarHBondContact O-N 3.19Å; I174-Y177 VanDerWaalsContact O-N 3.16Å; L175-Y177 PolarHBondContact O-N 3.43Å; Y177-V179 VanDerWaalsContact C-N 3.3Å; Y177-V179 PolarHBondContact O-N 3.24Å; Y177-V180 WeakPolarHBondContact O-CB 3.19Å; Y177-V180 PolarHBondContact O-N 3.41Å; Y177-V180 VanDerWaalsContact O-N 3.14Å; Y177-L181 WeakPolarHBondContact O-CG 3.42Å; Y177-L181 PolarHBondContact O-N 3.45Å; Y177-K257 HydrophobicContact CE1-CB 4.3Å; Y177-K257 HydrophobicContact CE1-CD 4.13Å; Y177-K257 HydrophobicContact CE1-CG 4.26Å; Y177-M258 HydrophobicContact CD1-CB 3.77Å; Y177-M258 HydrophobicContact CD1-CG 4.23Å; Y177-M258 HydrophobicContact CD1-SD 4.47Å; Y177-M258 HydrophobicContact CD2-CB 4.38Å; Y177-M258 HydrophobicContact CD2-CG 4.03Å; Y177-M258 HydrophobicContact CD2-SD 4.31Å; Y177-M258 HydrophobicContact CE1-CB 3.62Å; Y177-M258 HydrophobicContact CE1-CG 4.32Å; Y177-M258 HydrophobicContact CE2-CB 4.25Å; Y177-M258 HydrophobicContact CE2-CG 4.13Å; Y177-M258 HydrophobicContact CG-CB 4.16Å; Y177-M258 HydrophobicContact CG-CG 4.1Å; Y177-M258 HydrophobicContact CG-SD 4.06Å; Y177-D261 VanDerWaalsContact OH-CG 3.32Å; Y177-D261 PolarHBondContact OH-OD2 3.37Å
178	A	96.3	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-40.9	174.4	0	0	0	0	0	112	I141 M144 V145 I174 L175 V180 L181 S182 L457	I141-A178 HydrophobicContact CG2-CB 4.42Å; M144-A178 HydrophobicContact CB-CB 4.3Å; V145-A178 HydrophobicContact CG2-CB 4.29Å; I174-A178 PolarHBondContact O-N 3.02Å; I174-A178 VanDerWaalsContact O-N 3.15Å; L175-A178 PolarHBondContact O-N 3.47Å; A178-V180 VanDerWaalsContact C-N 3.33Å; A178-L181 PolarHBondContact O-N 3.3Å; A178-S182 PolarHBondContact O-N 3.17Å; A178-L457 HydrophobicContact CB-CD1 4.17Å
179	V	96.1	Very high	95.6	Very high	53 Å²	53	25.6 Å²	25.6	32%	0.321	12%	0.124	S	C	.	.	H	α-helix	trans	-70	-29.5	176.5	174.9	0	0	0	0	112.2	L175 Y177 S182 R183 L457	L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.21Å; L175-V179 PolarHBondContact O-N 3.36Å; Y177-V179 VanDerWaalsContact C-N 3.3Å; Y177-V179 PolarHBondContact O-N 3.24Å; V179-S182 PolarHBondContact O-OG 2.79Å; V179-R183 PolarHBondContact O-NH1 3.47Å; V179-L457 HydrophobicContact CG2-CD1 4.01Å; V179-L457 HydrophobicContact CG2-CD2 4.31Å
180	V	95.4	Very high	95.4	Very high	25 Å²	25	30.1 Å²	30.1	15%	0.152	15%	0.146	C	C	.	.	H	α-helix	trans	-69.7	-46.6	173.7	171.9	0	0	0	0	110.2	S176 Y177 A178 S182 R183 D184 H254	S176-V180 WeakPolarHBondContact O-CG2 3.18Å; S176-V180 PolarHBondContact O-N 3.43Å; Y177-V180 WeakPolarHBondContact O-CB 3.19Å; Y177-V180 PolarHBondContact O-N 3.41Å; Y177-V180 VanDerWaalsContact O-N 3.14Å; A178-V180 VanDerWaalsContact C-N 3.33Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3.49Å; V180-R183 VanDerWaalsContact CG2-NH2 3.27Å; V180-R183 WeakPolarHBondContact O-CB 3.38Å; V180-R183 PolarHBondContact O-N 3.48Å; V180-D184 PolarHBondContact O-N 2.96Å; V180-H254 HydrophobicContact CG1-CB 3.58Å; V180-H254 VanDerWaalsContact CG1-CD2 3.41Å; V180-H254 WeakPolarHBondContact CG1-CD2 3.4Å; V180-H254 VanDerWaalsContact CG1-CE1 3.46Å; V180-H254 WeakPolarHBondContact CG1-CE1 3.49Å; V180-H254 WeakPolarHBondContact CG1-ND1 3.28Å
181	L	94.7	Very high	95.1	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-32.8	177.8	-69.2	170.4	0	0	0	112.7	L140 I141 M144 Y177 A178 R183 D184 V185 L255	L140-L181 HydrophobicContact CD2-CD1 3.62Å; L140-L181 HydrophobicContact CG-CD1 3.94Å; I141-L181 HydrophobicContact CD1-CB 3.91Å; I141-L181 HydrophobicContact CG1-CB 3.74Å; I141-L181 HydrophobicContact CG1-CD1 4.39Å; M144-L181 HydrophobicContact SD-CD1 3.86Å; Y177-L181 WeakPolarHBondContact O-CG 3.42Å; Y177-L181 PolarHBondContact O-N 3.45Å; A178-L181 PolarHBondContact O-N 3.3Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 3.14Å; L181-D184 WeakPolarHBondContact O-CA 3.26Å; L181-D184 WeakPolarHBondContact O-CB 3.33Å; L181-D184 PolarHBondContact O-N 3.45Å; L181-V185 PolarHBondContact O-N 3.26Å; L181-L255 HydrophobicContact CD1-CD2 4.46Å; L181-L255 HydrophobicContact CD2-CD2 3.99Å; L181-L255 HydrophobicContact CD2-CG 4.44Å
182	S	95.1	Very high	94.8	Very high	10 Å²	10	34 Å²	34	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-36.6	175.9	73.7	0	0	0	0	112	A178 V179 V180 D184 V185 E186 W460	A178-S182 PolarHBondContact O-N 3.17Å; V179-S182 PolarHBondContact O-OG 2.79Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3.49Å; S182-D184 VanDerWaalsContact C-N 3.34Å; S182-V185 PolarHBondContact O-N 3.45Å; S182-E186 WeakPolarHBondContact O-CG 3.49Å; S182-E186 PolarHBondContact O-N 2.65Å; S182-W460 WeakPolarHBondContact O-CZ2 3.47Å
183	R	95.6	Very high	94.5	Very high	99 Å²	99	39 Å²	39	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-68	-33.9	172.7	-66	-171.2	-62.4	-90.6	4.1	112.4	V179 V180 L181 V185 E186 R187	V179-R183 PolarHBondContact O-NH1 3.47Å; V180-R183 VanDerWaalsContact CG2-NH2 3.27Å; V180-R183 WeakPolarHBondContact O-CB 3.38Å; V180-R183 PolarHBondContact O-N 3.48Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 3.14Å; R183-V185 VanDerWaalsContact C-N 3.35Å; R183-E186 PolarHBondContact O-N 2.87Å; R183-R187 WeakPolarHBondContact O-CG 3.25Å; R183-R187 PolarHBondContact O-N 3.38Å
184	D	95.4	Very high	94.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-38.2	175.3	-64.3	-24.4	0	0	0	111.1	V180 L181 S182 R187 L188 W247 H254	V180-D184 PolarHBondContact O-N 2.96Å; L181-D184 WeakPolarHBondContact O-CA 3.26Å; L181-D184 WeakPolarHBondContact O-CB 3.33Å; L181-D184 PolarHBondContact O-N 3.45Å; S182-D184 VanDerWaalsContact C-N 3.34Å; D184-R187 PolarHBondContact O-N 3.48Å; D184-R187 IonicContact OD1-NH1 3.39Å; D184-R187 PolarHBondContact OD1-NH1 3.47Å; D184-L188 WeakPolarHBondContact O-CB 3.47Å; D184-L188 PolarHBondContact O-N 2.9Å; D184-W247 PolarHBondContact O-NE1 2.79Å; D184-H254 IonicContact OD1-CE1 2.75Å; D184-H254 PolarHBondContact OD1-CE1 3.29Å; D184-H254 VanDerWaalsContact OD1-CE1 3.27Å; D184-H254 IonicContact OD1-ND1 3.21Å; D184-H254 PolarHBondContact OD1-ND1 3.49Å; D184-H254 IonicContact OD2-CE1 2.98Å; D184-H254 IonicContact OD2-CG 3.23Å; D184-H254 IonicContact OD2-ND1 3.42Å; D184-H254 PolarHBondContact OD2-ND1 3.48Å
185	V	94.9	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-42.6	172.2	172.1	0	0	0	0	111.4	T134 L138 I141 L181 S182 R183 R187 L188 L189 W460	T134-V185 HydrophobicContact CG2-CG1 4.2Å; L138-V185 HydrophobicContact CD2-CG1 4.23Å; I141-V185 HydrophobicContact CD1-CG2 3.86Å; L181-V185 PolarHBondContact O-N 3.26Å; S182-V185 PolarHBondContact O-N 3.45Å; R183-V185 VanDerWaalsContact C-N 3.35Å; V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 2.9Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.13Å; V185-L188 VanDerWaalsContact O-N 3.16Å; V185-L189 HydrophobicContact CG1-CD1 4.23Å; V185-L189 HydrophobicContact CG1-CG 4.42Å; V185-L189 WeakPolarHBondContact O-CG 3.23Å; V185-L189 PolarHBondContact O-N 2.95Å; V185-W460 HydrophobicContact CB-CH2 3.82Å; V185-W460 HydrophobicContact CB-CZ2 4.29Å; V185-W460 HydrophobicContact CG1-CH2 3.79Å; V185-W460 HydrophobicContact CG1-CZ2 4.23Å; V185-W460 HydrophobicContact CG2-CH2 4.31Å
186	E	93.9	Very high	93.5	Very high	66 Å²	66	43.5 Å²	43.5	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-45.7	176.7	-75.2	172.6	172.6	0	0	111.9	S182 R183 L188 L189 E190 W460 R464	S182-E186 WeakPolarHBondContact O-CG 3.49Å; S182-E186 PolarHBondContact O-N 2.65Å; R183-E186 PolarHBondContact O-N 2.87Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.46Å; E186-L189 PolarHBondContact O-N 2.84Å; E186-E190 WeakPolarHBondContact O-CG 3.45Å; E186-E190 PolarHBondContact O-N 3.27Å; E186-E190 VanDerWaalsContact O-N 3.08Å; E186-W460 HydrophobicContact CG-CZ2 4.15Å; E186-W460 PolarHBondContact OE1-NE1 3.24Å; E186-R464 IonicContact OE1-NH2 2.74Å; E186-R464 PolarHBondContact OE1-NH2 2.94Å
187	R	93.8	Very high	93.3	Very high	85 Å²	85	43.3 Å²	43.3	32%	0.321	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-43.9	173.6	-70.6	175.8	-171.3	113.5	1.7	111.8	R183 D184 V185 L189 E190 I191	R183-R187 WeakPolarHBondContact O-CG 3.25Å; R183-R187 PolarHBondContact O-N 3.38Å; D184-R187 PolarHBondContact O-N 3.48Å; D184-R187 IonicContact OD1-NH1 3.39Å; D184-R187 PolarHBondContact OD1-NH1 3.47Å; V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 2.9Å; R187-L189 VanDerWaalsContact C-N 3.29Å; R187-L189 PolarHBondContact O-N 3.3Å; R187-E190 WeakPolarHBondContact O-CB 3.24Å; R187-E190 PolarHBondContact O-N 2.83Å; R187-E190 VanDerWaalsContact O-N 3.12Å; R187-I191 VanDerWaalsContact O-CG1 3.25Å; R187-I191 WeakPolarHBondContact O-CG1 3.34Å; R187-I191 PolarHBondContact O-N 2.89Å
188	L	91.8	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-39.9	179.7	-171.1	60.4	0	0	0	112	I130 L133 T134 D184 V185 E186 I191 K192 W247	I130-L188 HydrophobicContact CB-CD1 4.31Å; I130-L188 HydrophobicContact CG1-CD1 3.9Å; I130-L188 HydrophobicContact CG2-CD1 3.81Å; I130-L188 HydrophobicContact CG2-CD2 4.35Å; I130-L188 HydrophobicContact CG2-CG 3.76Å; L133-L188 HydrophobicContact CB-CD2 4Å; T134-L188 VanDerWaalsContact OG1-CD2 3.22Å; T134-L188 WeakPolarHBondContact OG1-CD2 3.19Å; D184-L188 WeakPolarHBondContact O-CB 3.47Å; D184-L188 PolarHBondContact O-N 2.9Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.13Å; V185-L188 VanDerWaalsContact O-N 3.16Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.46Å; L188-I191 PolarHBondContact O-N 3.49Å; L188-K192 PolarHBondContact O-N 3.26Å; L188-W247 HydrophobicContact CB-CZ2 4.22Å; L188-W247 HydrophobicContact CD1-CD2 3.88Å; L188-W247 HydrophobicContact CD1-CE3 4.03Å; L188-W247 HydrophobicContact CD1-CH2 4.12Å; L188-W247 HydrophobicContact CD1-CZ2 3.94Å; L188-W247 HydrophobicContact CD1-CZ3 4.16Å; L188-W247 HydrophobicContact CD2-CH2 4.02Å; L188-W247 HydrophobicContact CD2-CZ2 3.64Å; L188-W247 HydrophobicContact CG-CZ2 4.14Å
189	L	91.6	Very high	93	Very high	56 Å²	56	42.9 Å²	42.9	29%	0.293	19%	0.194	S	C	.	.	H	α-helix	trans	-67.5	-33.4	175.2	-67.9	175	0	0	0	112.8	T134 V185 E186 R187 K192 R464	T134-L189 HydrophobicContact CG2-CD2 4.21Å; V185-L189 HydrophobicContact CG1-CD1 4.23Å; V185-L189 HydrophobicContact CG1-CG 4.42Å; V185-L189 WeakPolarHBondContact O-CG 3.23Å; V185-L189 PolarHBondContact O-N 2.95Å; E186-L189 PolarHBondContact O-N 2.84Å; R187-L189 VanDerWaalsContact C-N 3.29Å; R187-L189 PolarHBondContact O-N 3.3Å; L189-K192 WeakPolarHBondContact O-CB 3.31Å; L189-R464 HydrophobicContact CD1-CG 4.49Å
190	E	91.6	Very high	92.8	Very high	101 Å²	101	40.5 Å²	40.5	47%	0.472	18%	0.18	S	C	.	.	H	α-helix	trans	-68.3	-41.4	173.4	-69.3	172.3	173	0	0	111.9	E186 R187 K192 K193	E186-E190 WeakPolarHBondContact O-CG 3.45Å; E186-E190 PolarHBondContact O-N 3.27Å; E186-E190 VanDerWaalsContact O-N 3.08Å; R187-E190 WeakPolarHBondContact O-CB 3.24Å; R187-E190 PolarHBondContact O-N 2.83Å; R187-E190 VanDerWaalsContact O-N 3.12Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 2.98Å; E190-K193 PolarHBondContact O-N 3.23Å
191	I	91.6	Very high	92.5	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.6	-64.4	170.3	0	0	0	109.7	I130 R187 L188 K193 R194 T195 E243 W247	I130-I191 HydrophobicContact CD1-CG2 3.98Å; R187-I191 VanDerWaalsContact O-CG1 3.25Å; R187-I191 WeakPolarHBondContact O-CG1 3.34Å; R187-I191 PolarHBondContact O-N 2.89Å; L188-I191 PolarHBondContact O-N 3.49Å; I191-K193 PolarHBondContact O-N 3.24Å; I191-K193 VanDerWaalsContact O-N 3.12Å; I191-R194 PolarHBondContact O-N 3.15Å; I191-T195 PolarHBondContact O-N 2.92Å; I191-T195 PolarHBondContact O-OG1 3.3Å; I191-T195 VanDerWaalsContact O-OG1 3.08Å; I191-E243 HydrophobicContact CD1-CB 3.92Å; I191-E243 WeakPolarHBondContact CD1-O 3.32Å; I191-E243 HydrophobicContact CG1-CB 3.83Å; I191-E243 HydrophobicContact CG2-CB 4.32Å; I191-W247 HydrophobicContact CD1-CB 3.62Å; I191-W247 HydrophobicContact CD1-CG 4.06Å
192	K	90.7	Very high	92.4	Very high	76 Å²	76	39.3 Å²	39.3	33%	0.33	17%	0.173	S	C	.	.	H	α-helix	trans	-49.7	-42.3	177.3	-169.9	177.7	178.3	176.2	0	112.4	I130 L188 L189 E190 R194 T195 N196	I130-K192 HydrophobicContact CG2-CB 3.94Å; I130-K192 HydrophobicContact CG2-CD 4.28Å; I130-K192 HydrophobicContact CG2-CG 4.19Å; L188-K192 PolarHBondContact O-N 3.26Å; L189-K192 WeakPolarHBondContact O-CB 3.31Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 2.98Å; K192-R194 PolarHBondContact O-N 2.95Å; K192-T195 PolarHBondContact O-N 3.13Å; K192-N196 VanDerWaalsContact O-CB 3.3Å; K192-N196 WeakPolarHBondContact O-CB 3.26Å; K192-N196 PolarHBondContact O-N 2.66Å
193	K	90.4	Very high	92.2	Very high	150 Å²	150	39 Å²	39	65%	0.652	17%	0.172	S	C	*	.	H	α-helix	trans	-63.8	-39.2	179.3	-65.7	179.4	-178.5	179.3	0	112.6	E190 I191	E190-K193 PolarHBondContact O-N 3.23Å; I191-K193 PolarHBondContact O-N 3.24Å; I191-K193 VanDerWaalsContact O-N 3.12Å
194	R	90	Very high	91.9	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	17%	0.174	S	C	.	.	H	α-helix	trans	-79	-31.9	179.5	-69.1	-178.4	-67.4	-89.2	-0.6	112.3	I191 K192 N196 E243	I191-R194 PolarHBondContact O-N 3.15Å; K192-R194 PolarHBondContact O-N 2.95Å; R194-N196 VanDerWaalsContact C-N 3.3Å; R194-E243 IonicContact CZ-OE1 2.91Å; R194-E243 IonicContact CZ-OE2 2.66Å; R194-E243 IonicContact NE-OE1 3.28Å; R194-E243 PolarHBondContact NE-OE1 3.01Å; R194-E243 IonicContact NE-OE2 3.58Å; R194-E243 PolarHBondContact NE-OE2 3Å; R194-E243 VanDerWaalsContact NH2-CD 3.34Å; R194-E243 IonicContact NH2-OE1 3.94Å; R194-E243 PolarHBondContact NH2-OE1 2.98Å; R194-E243 IonicContact NH2-OE2 3.86Å; R194-E243 PolarHBondContact NH2-OE2 2.8Å
195	T	89.3	Confident	91.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-34.4	170	-51.1	0	0	0	0	111.3	K123 L126 I191 K192 I197 F239	K123-T195 HydrophobicContact CB-CG2 4.32Å; K123-T195 WeakPolarHBondContact CD-O 3.26Å; K123-T195 HydrophobicContact CG-CG2 4.3Å; L126-T195 HydrophobicContact CB-CG2 4.17Å; L126-T195 HydrophobicContact CD2-CG2 4.01Å; L126-T195 HydrophobicContact CG-CG2 4.17Å; I191-T195 PolarHBondContact O-N 2.92Å; I191-T195 PolarHBondContact O-OG1 3.3Å; I191-T195 VanDerWaalsContact O-OG1 3.08Å; K192-T195 PolarHBondContact O-N 3.13Å; T195-I197 PolarHBondContact O-N 3.37Å; T195-F239 HydrophobicContact CG2-CD2 4.25Å
196	N	91.1	Very high	91.5	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	23%	0.228	C	C	.	.			trans	-79.7	43.1	-176.9	-153.7	38	0	0	0	114.6	R127 K192 R194 G222 F223 D224	R127-N196 WeakPolarHBondContact CD-OD1 3.38Å; K192-N196 VanDerWaalsContact O-CB 3.3Å; K192-N196 WeakPolarHBondContact O-CB 3.26Å; K192-N196 PolarHBondContact O-N 2.66Å; R194-N196 VanDerWaalsContact C-N 3.3Å; N196-G222 PolarHBondContact ND2-O 3.18Å; N196-G222 PolarHBondContact OD1-O 2.93Å; N196-F223 VanDerWaalsContact C-CD1 3.44Å; N196-D224 PolarHBondContact ND2-N 3.01Å; N196-D224 PolarHBondContact ND2-OD1 2.82Å; N196-D224 VanDerWaalsContact ND2-OD1 3.16Å; N196-D224 PolarHBondContact ND2-OD2 2.71Å; N196-D224 PolarHBondContact O-N 3.36Å
197	I	92.4	Very high	91.4	Very high	50 Å²	50	42.6 Å²	42.6	26%	0.256	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.7	172.4	-55.5	175.6	0	0	0	110	K123 T195 P199 F223 S225	K123-I197 VanDerWaalsContact CD-O 3.26Å; K123-I197 WeakPolarHBondContact CD-O 3.41Å; K123-I197 PolarHBondContact NZ-O 3.47Å; T195-I197 PolarHBondContact O-N 3.37Å; I197-P199 WeakPolarHBondContact O-CD 3.36Å; I197-F223 VanDerWaalsContact C-CD1 3.45Å; I197-S225 CarbonylContact C-O 3.58Å; I197-S225 WeakPolarHBondContact CA-O 3.31Å
198	L	93.9	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.4	-175.1	-178.3	75.3	0	0	0	112.2	T120 L200 R214 L217 R218 L221 F223 S225 V226 S227	T120-L198 HydrophobicContact CG2-CD1 4.24Å; L198-L200 HydrophobicContact CD1-CB 3.75Å; L198-L200 HydrophobicContact CD2-CB 4.3Å; L198-L200 HydrophobicContact CG-CB 4.01Å; L198-R214 PolarHBondContact O-NH2 2.9Å; L198-L217 HydrophobicContact CD2-CB 3.56Å; L198-R218 HydrophobicContact CD2-CB 4.1Å; L198-L221 HydrophobicContact CD1-CD1 3.68Å; L198-F223 HydrophobicContact CB-CB 3.82Å; L198-F223 HydrophobicContact CB-CD1 4.15Å; L198-F223 HydrophobicContact CB-CD2 3.98Å; L198-F223 HydrophobicContact CB-CG 3.73Å; L198-F223 HydrophobicContact CD1-CD2 3.43Å; L198-F223 VanDerWaalsContact CD1-CD2 3.43Å; L198-F223 HydrophobicContact CD1-CE2 3.47Å; L198-F223 VanDerWaalsContact CD1-CE2 3.47Å; L198-F223 HydrophobicContact CD1-CG 4.08Å; L198-F223 HydrophobicContact CD1-CZ 4.18Å; L198-F223 HydrophobicContact CG-CD2 4.3Å; L198-S225 PolarHBondContact N-O 2.95Å; L198-V226 HydrophobicContact CD2-CG1 4.38Å; L198-S227 PolarHBondContact O-N 2.99Å; L198-S227 PolarHBondContact O-OG 2.97Å
199	P	92.9	Very high	90.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.253	C	S	.	.			trans	-91.9	-20	173.8	34	-27.8	0	0	0	113.3	V119 T120 K123 I197 S202 A233	V119-P199 HydrophobicContact CB-CB 4.43Å; V119-P199 HydrophobicContact CB-CG 4.06Å; V119-P199 HydrophobicContact CG1-CB 4.09Å; V119-P199 HydrophobicContact CG1-CG 3.79Å; T120-P199 WeakPolarHBondContact OG1-CG 3.3Å; K123-P199 HydrophobicContact CD-CG 4.11Å; I197-P199 WeakPolarHBondContact O-CD 3.36Å; P199-S202 VanDerWaalsContact O-CB 3.25Å; P199-S202 WeakPolarHBondContact O-CB 3.2Å; P199-S202 PolarHBondContact O-N 2.94Å; P199-S202 PolarHBondContact O-OG 3.38Å; P199-A233 HydrophobicContact CB-CB 4.01Å
200	L	92.7	Very high	90.7	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	137.2	-178.3	-161.9	60.3	0	0	0	112.5	Y46 T120 L198 R214 L217 L221	Y46-L200 HydrophobicContact CD2-CD1 4.3Å; Y46-L200 HydrophobicContact CD2-CD2 4.02Å; Y46-L200 HydrophobicContact CD2-CG 4.13Å; T120-L200 HydrophobicContact CG2-CB 4.24Å; T120-L200 HydrophobicContact CG2-CD2 4.46Å; T120-L200 WeakPolarHBondContact OG1-CB 3.37Å; T120-L200 PolarHBondContact OG1-N 3.08Å; L198-L200 HydrophobicContact CD1-CB 3.75Å; L198-L200 HydrophobicContact CD2-CB 4.3Å; L198-L200 HydrophobicContact CG-CB 4.01Å; L200-R214 PolarHBondContact O-NE 2.88Å; L200-R214 VanDerWaalsContact O-NE 3.13Å; L200-L217 HydrophobicContact CB-CD1 4.44Å; L200-L217 HydrophobicContact CD2-CD1 4.13Å; L200-L217 HydrophobicContact CD2-CD2 4.03Å; L200-L217 HydrophobicContact CG-CD1 4.08Å; L200-L221 HydrophobicContact CD2-CD1 3.92Å
201	G	89.6	Confident	90.5	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	5.6	-172.1	0	0	0	0	0	113.6	D116 G203 T208	D116-G201 PolarHBondContact OD2-N 2.95Å; G201-G203 VanDerWaalsContact C-N 3.34Å; G201-T208 PolarHBondContact O-N 2.93Å; G201-T208 VanDerWaalsContact O-N 3.15Å
202	S	92	Very high	90.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	28%	0.275	C	S	.	.			trans	-83.7	-12.2	171.7	-60.5	0	0	0	0	112.6	D116 P199 G207 S227 A233	D116-S202 PolarHBondContact OD2-N 3.08Å; P199-S202 VanDerWaalsContact O-CB 3.25Å; P199-S202 WeakPolarHBondContact O-CB 3.2Å; P199-S202 PolarHBondContact O-N 2.94Å; P199-S202 PolarHBondContact O-OG 3.38Å; S202-G207 WeakPolarHBondContact O-CA 3.22Å; S202-G207 PolarHBondContact O-N 3.2Å; S202-S227 PolarHBondContact OG-OG 3.24Å; S202-A233 WeakPolarHBondContact OG-CB 3.17Å
203	G	91.2	Very high	90.4	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-146.8	-178.3	0	0	0	0	0	111.5	D116 G201 T234	D116-G203 VanDerWaalsContact CG-N 3.31Å; D116-G203 PolarHBondContact OD2-N 3.33Å; G201-G203 VanDerWaalsContact C-N 3.34Å; G203-T234 WeakPolarHBondContact O-CG2 3.46Å
204	A	89.1	Confident	90.4	Very high	50 Å²	50	44 Å²	44	41%	0.413	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-35.2	-178.7	0	0	0	0	0	113.3	S113 N115	S113-A204 VanDerWaalsContact CB-N 3.33Å; S113-A204 WeakPolarHBondContact OG-CA 3.36Å; N115-A204 PolarHBondContact ND2-O 3.42Å
205	I	91	Very high	90.5	Very high	78 Å²	78	43.5 Å²	43.5	40%	0.4	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-165.8	-39.4	-175.1	-173	170	0	0	0	113.1	S230 M231 A322	I205-S230 CarbonylContact O-C 3.56Å; I205-S230 WeakPolarHBondContact O-CB 3.43Å; I205-S230 PolarHBondContact O-OG 3.21Å; I205-M231 HydrophobicContact CD1-CE 4.37Å; I205-M231 HydrophobicContact CD1-CG 4.45Å; I205-M231 HydrophobicContact CG1-CG 3.76Å; I205-M231 PolarHBondContact O-N 3.47Å; I205-A322 HydrophobicContact CD1-CB 4.07Å; I205-A322 HydrophobicContact CG1-CB 4.19Å
206	A	91.3	Very high	90.7	Very high	89 Å²	89	45.3 Å²	45.3	74%	0.736	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	6.1	-165.9	0	0	0	0	0	114.7
207	G	90.4	Very high	90.7	Very high	26 Å²	26	44.7 Å²	44.7	27%	0.268	26%	0.261	S	S	.	.			trans	93.3	174	-168.4	0	0	0	0	0	112.5	S202 S230	S202-G207 WeakPolarHBondContact O-CA 3.22Å; S202-G207 PolarHBondContact O-N 3.2Å; G207-S230 PolarHBondContact N-OG 3Å
208	T	87.6	Confident	90.8	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.184	26%	0.259	C	S	.	.			trans	-79.2	134.2	170.6	178.2	0	0	0	0	111	G201 F210 I212	G201-T208 PolarHBondContact O-N 2.93Å; G201-T208 VanDerWaalsContact O-N 3.15Å; T208-F210 VanDerWaalsContact C-N 3.25Å; T208-F210 PolarHBondContact O-N 2.91Å; T208-F210 PolarHBondContact OG1-N 3.39Å; T208-I212 HydrophobicContact CG2-CB 4.01Å; T208-I212 HydrophobicContact CG2-CD1 4.38Å; T208-I212 HydrophobicContact CG2-CG1 4.4Å; T208-I212 WeakPolarHBondContact OG1-CD1 3.31Å
209	P	87.6	Confident	90.8	Very high	110 Å²	110	49.2 Å²	49.2	71%	0.714	28%	0.284	S	S	*	.	S	Bend	trans	-80.6	-5.9	177.3	33.8	-35.8	0	0	0	113.3
210	F	88.8	Confident	90.8	Very high	85 Å²	85	53.1 Å²	53.1	37%	0.373	30%	0.303	S	S	.	.	S	Bend	trans	-101.5	159.6	-179.1	-57.5	-73.4	0	0	0	110.9	L55 T110 T208 I212	L55-F210 HydrophobicContact CD1-CB 3.9Å; L55-F210 HydrophobicContact CD1-CD1 4.04Å; L55-F210 HydrophobicContact CD1-CD2 4.24Å; L55-F210 HydrophobicContact CD1-CG 3.8Å; L55-F210 HydrophobicContact CD2-CD1 4.04Å; L55-F210 HydrophobicContact CD2-CE1 4.27Å; T110-F210 HydrophobicContact CG2-CD2 4.46Å; T110-F210 HydrophobicContact CG2-CE2 3.84Å; T110-F210 HydrophobicContact CG2-CZ 3.97Å; T208-F210 VanDerWaalsContact C-N 3.25Å; T208-F210 PolarHBondContact O-N 2.91Å; T208-F210 PolarHBondContact OG1-N 3.39Å; F210-I212 HydrophobicContact CB-CD1 4.38Å; F210-I212 HydrophobicContact CB-CG1 4.01Å; F210-I212 PolarHBondContact O-N 3.38Å
211	D	87.4	Confident	90.8	Very high	154 Å²	154	53.6 Å²	53.6	82%	0.824	31%	0.305	S	S	*	.			trans	-75.6	57.6	179.2	-162.9	26.2	0	0	0	111.8	A53	A53-D211 WeakPolarHBondContact CB-O 3.49Å
212	I	88.1	Confident	90.9	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.062	32%	0.324	C	S	.	.			trans	-84.9	119.5	178.7	-60.1	-177	0	0	0	108.5	Y46 A49 L50 T208 F210 R214 L217	Y46-I212 HydrophobicContact CE2-CD1 4Å; Y46-I212 WeakPolarHBondContact OH-CD1 3.49Å; A49-I212 HydrophobicContact CB-CG2 3.85Å; L50-I212 HydrophobicContact CD2-CD1 4.13Å; T208-I212 HydrophobicContact CG2-CB 4.01Å; T208-I212 HydrophobicContact CG2-CD1 4.38Å; T208-I212 HydrophobicContact CG2-CG1 4.4Å; T208-I212 WeakPolarHBondContact OG1-CD1 3.31Å; F210-I212 HydrophobicContact CB-CD1 4.38Å; F210-I212 HydrophobicContact CB-CG1 4.01Å; F210-I212 PolarHBondContact O-N 3.38Å; I212-R214 PolarHBondContact O-N 3.48Å; I212-R214 VanDerWaalsContact O-N 3.13Å; I212-L217 HydrophobicContact CG2-CD1 3.85Å
213	D	90.6	Very high	91	Very high	54 Å²	54	55.4 Å²	55.4	29%	0.289	32%	0.323	S	S	.	.			trans	-71.9	104	176.4	-174.8	-11.4	0	0	0	111.2	K52 E215 L216 L217	K52-D213 HydrophobicContact CD-CB 4.42Å; K52-D213 IonicContact NZ-OD2 3.72Å; K52-D213 PolarHBondContact NZ-OD2 3.42Å; D213-E215 VanDerWaalsContact C-N 3.31Å; D213-E215 PolarHBondContact O-N 3.03Å; D213-E215 WeakPolarHBondContact OD1-CA 3.4Å; D213-E215 WeakPolarHBondContact OD1-CB 3.22Å; D213-E215 PolarHBondContact OD1-N 3.42Å; D213-L216 HydrophobicContact CB-CB 3.91Å; D213-L216 WeakPolarHBondContact O-CB 3.46Å; D213-L216 PolarHBondContact O-N 2.79Å; D213-L216 PolarHBondContact OD1-N 3.38Å; D213-L217 PolarHBondContact O-N 3.32Å
214	R	91.9	Very high	91	Very high	57 Å²	57	60.2 Å²	60.2	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-70.9	-24.2	177.7	-63	-173.7	68	-149	-2.9	113.1	L198 L200 I212 L217 R218 V226 S227	L198-R214 PolarHBondContact O-NH2 2.9Å; L200-R214 PolarHBondContact O-NE 2.88Å; L200-R214 VanDerWaalsContact O-NE 3.13Å; I212-R214 PolarHBondContact O-N 3.48Å; I212-R214 VanDerWaalsContact O-N 3.13Å; R214-L217 PolarHBondContact O-N 3.21Å; R214-R218 WeakPolarHBondContact O-CB 3.4Å; R214-R218 PolarHBondContact O-N 3.38Å; R214-V226 HydrophobicContact CB-CG1 4.05Å; R214-V226 WeakPolarHBondContact O-CG1 3.17Å; R214-S227 PolarHBondContact NH1-O 2.71Å; R214-S227 PolarHBondContact NH2-OG 2.97Å
215	E	92.5	Very high	91.2	Very high	91 Å²	91	60.2 Å²	60.2	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-75	-33.4	176	-73.8	-58.7	146.3	0	0	111.8	D213 R218 T219	D213-E215 VanDerWaalsContact C-N 3.31Å; D213-E215 PolarHBondContact O-N 3.03Å; D213-E215 WeakPolarHBondContact OD1-CA 3.4Å; D213-E215 WeakPolarHBondContact OD1-CB 3.22Å; D213-E215 PolarHBondContact OD1-N 3.42Å; E215-R218 PolarHBondContact O-N 3.17Å; E215-R218 WeakPolarHBondContact OE2-CD 3.39Å; E215-R218 IonicContact OE2-CZ 3.1Å; E215-R218 IonicContact OE2-NE 2.82Å; E215-R218 PolarHBondContact OE2-NE 3.23Å; E215-R218 IonicContact OE2-NH2 2.73Å; E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.91Å
216	L	91.9	Very high	91.3	Very high	39 Å²	39	58 Å²	58	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-51.8	167.6	177.8	68.4	0	0	0	110.4	A49 K52 D213 R218 T219 E220	A49-L216 HydrophobicContact CB-CD2 4.27Å; K52-L216 HydrophobicContact CB-CD2 4.32Å; K52-L216 HydrophobicContact CD-CD2 3.74Å; D213-L216 HydrophobicContact CB-CB 3.91Å; D213-L216 WeakPolarHBondContact O-CB 3.46Å; D213-L216 PolarHBondContact O-N 2.79Å; D213-L216 PolarHBondContact OD1-N 3.38Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.37Å; L216-T219 PolarHBondContact O-N 2.96Å; L216-T219 VanDerWaalsContact O-N 3.14Å; L216-E220 HydrophobicContact CD1-CG 4.14Å; L216-E220 HydrophobicContact CG-CG 4.3Å; L216-E220 WeakPolarHBondContact O-CB 3.29Å; L216-E220 WeakPolarHBondContact O-CG 3.49Å; L216-E220 PolarHBondContact O-N 3.36Å
217	L	92.6	Very high	91.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-40.3	178.3	-69.4	174.1	0	0	0	112	A45 Y46 A49 L198 L200 I212 D213 R214 T219 E220 L221	A45-L217 HydrophobicContact CB-CD2 4.25Å; A45-L217 WeakPolarHBondContact O-CD2 3.26Å; Y46-L217 HydrophobicContact CD2-CD1 4.38Å; Y46-L217 HydrophobicContact CD2-CD2 4.34Å; A49-L217 HydrophobicContact CB-CD1 4.39Å; A49-L217 HydrophobicContact CB-CD2 3.55Å; A49-L217 HydrophobicContact CB-CG 3.85Å; L198-L217 HydrophobicContact CD2-CB 3.56Å; L200-L217 HydrophobicContact CB-CD1 4.44Å; L200-L217 HydrophobicContact CD2-CD1 4.13Å; L200-L217 HydrophobicContact CD2-CD2 4.03Å; L200-L217 HydrophobicContact CG-CD1 4.08Å; I212-L217 HydrophobicContact CG2-CD1 3.85Å; D213-L217 PolarHBondContact O-N 3.32Å; R214-L217 PolarHBondContact O-N 3.21Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 2.8Å; L217-E220 PolarHBondContact O-N 3.34Å; L217-L221 WeakPolarHBondContact O-CB 3.29Å; L217-L221 PolarHBondContact O-N 3.11Å
218	R	94.1	Very high	91.6	Very high	59 Å²	59	61.3 Å²	61.3	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-46.6	177.8	-175.8	-152.9	60.2	74	2.2	110.8	L198 R214 E215 L216 G222 F223 V226	L198-R218 HydrophobicContact CD2-CB 4.1Å; R214-R218 WeakPolarHBondContact O-CB 3.4Å; R214-R218 PolarHBondContact O-N 3.38Å; E215-R218 PolarHBondContact O-N 3.17Å; E215-R218 WeakPolarHBondContact OE2-CD 3.39Å; E215-R218 IonicContact OE2-CZ 3.1Å; E215-R218 IonicContact OE2-NE 2.82Å; E215-R218 PolarHBondContact OE2-NE 3.23Å; E215-R218 IonicContact OE2-NH2 2.73Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.37Å; R218-G222 PolarHBondContact O-N 3.29Å; R218-G222 VanDerWaalsContact O-N 3.08Å; R218-F223 HydrophobicContact CG-CB 3.88Å; R218-F223 VanDerWaalsContact CG-O 3.25Å; R218-F223 WeakPolarHBondContact CG-O 3.42Å; R218-F223 PolarHBondContact NH1-O 3.25Å; R218-F223 PolarHBondContact O-N 2.93Å; R218-V226 HydrophobicContact CB-CG1 3.9Å; R218-V226 HydrophobicContact CG-CG1 4.3Å
219	T	93.1	Very high	92	Very high	86 Å²	86	63.8 Å²	63.8	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-46.1	-179.5	-52.6	0	0	0	0	111.4	E215 L216 L217 L221 G222	E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.91Å; L216-T219 PolarHBondContact O-N 2.96Å; L216-T219 VanDerWaalsContact O-N 3.14Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 2.8Å; T219-L221 VanDerWaalsContact C-N 3.35Å; T219-L221 PolarHBondContact O-N 3.46Å; T219-G222 PolarHBondContact O-N 3.01Å
220	E	92.6	Very high	92.3	Very high	83 Å²	83	59.7 Å²	59.7	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-39.7	-179.4	-76.6	-72.7	161.3	0	0	112.8	A45 K48 L216 L217	A45-E220 HydrophobicContact CB-CB 3.89Å; K48-E220 HydrophobicContact CD-CG 4.34Å; K48-E220 WeakPolarHBondContact CD-OE2 3.43Å; K48-E220 VanDerWaalsContact NZ-CD 3.3Å; K48-E220 IonicContact NZ-OE1 2.69Å; K48-E220 PolarHBondContact NZ-OE1 3Å; K48-E220 IonicContact NZ-OE2 2.54Å; K48-E220 PolarHBondContact NZ-OE2 3.44Å; L216-E220 HydrophobicContact CD1-CG 4.14Å; L216-E220 HydrophobicContact CG-CG 4.3Å; L216-E220 WeakPolarHBondContact O-CB 3.29Å; L216-E220 WeakPolarHBondContact O-CG 3.49Å; L216-E220 PolarHBondContact O-N 3.36Å; L217-E220 PolarHBondContact O-N 3.34Å
221	L	92.7	Very high	92.4	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-91.7	-2	-179.1	-66.8	175	0	0	0	113.8	R41 A45 T120 L124 R127 L198 L200 L217 T219 F223	R41-L221 HydrophobicContact CB-CD2 4.45Å; R41-L221 WeakPolarHBondContact O-CD2 3.5Å; A45-L221 HydrophobicContact CB-CD1 4.02Å; A45-L221 HydrophobicContact CB-CD2 3.52Å; A45-L221 HydrophobicContact CB-CG 3.52Å; T120-L221 HydrophobicContact CG2-CD1 4.06Å; L124-L221 HydrophobicContact CD1-CD2 4.2Å; R127-L221 PolarHBondContact NH1-O 3.5Å; L198-L221 HydrophobicContact CD1-CD1 3.68Å; L200-L221 HydrophobicContact CD2-CD1 3.92Å; L217-L221 WeakPolarHBondContact O-CB 3.29Å; L217-L221 PolarHBondContact O-N 3.11Å; T219-L221 VanDerWaalsContact C-N 3.35Å; T219-L221 PolarHBondContact O-N 3.46Å; L221-F223 HydrophobicContact CB-CD2 3.51Å; L221-F223 HydrophobicContact CB-CE2 3.66Å; L221-F223 HydrophobicContact CD1-CE2 4.2Å
222	G	92.7	Very high	92.7	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	34.3	177.6	0	0	0	0	0	114.3	R127 N196 R218 T219	R127-G222 PolarHBondContact NH1-O 3.21Å; N196-G222 PolarHBondContact ND2-O 3.18Å; N196-G222 PolarHBondContact OD1-O 2.93Å; R218-G222 PolarHBondContact O-N 3.29Å; R218-G222 VanDerWaalsContact O-N 3.08Å; T219-G222 PolarHBondContact O-N 3.01Å
223	F	93.5	Very high	92.8	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.301	C	S	.	.			trans	-85.7	154.9	173.9	-76.6	-90.3	0	0	0	111.5	T120 K123 L124 N196 I197 L198 R218 L221	T120-F223 HydrophobicContact CG2-CE2 4.48Å; K123-F223 HydrophobicContact CB-CE1 4.07Å; K123-F223 HydrophobicContact CB-CZ 4.17Å; K123-F223 HydrophobicContact CD-CE1 4.46Å; L124-F223 HydrophobicContact CD2-CE2 3.57Å; L124-F223 HydrophobicContact CD2-CZ 3.78Å; L124-F223 HydrophobicContact CG-CE2 3.98Å; L124-F223 HydrophobicContact CG-CZ 3.9Å; N196-F223 VanDerWaalsContact C-CD1 3.44Å; I197-F223 VanDerWaalsContact C-CD1 3.45Å; L198-F223 HydrophobicContact CB-CB 3.82Å; L198-F223 HydrophobicContact CB-CD1 4.15Å; L198-F223 HydrophobicContact CB-CD2 3.98Å; L198-F223 HydrophobicContact CB-CG 3.73Å; L198-F223 HydrophobicContact CD1-CD2 3.43Å; L198-F223 VanDerWaalsContact CD1-CD2 3.43Å; L198-F223 HydrophobicContact CD1-CE2 3.47Å; L198-F223 VanDerWaalsContact CD1-CE2 3.47Å; L198-F223 HydrophobicContact CD1-CG 4.08Å; L198-F223 HydrophobicContact CD1-CZ 4.18Å; L198-F223 HydrophobicContact CG-CD2 4.3Å; R218-F223 HydrophobicContact CG-CB 3.88Å; R218-F223 VanDerWaalsContact CG-O 3.25Å; R218-F223 WeakPolarHBondContact CG-O 3.42Å; R218-F223 PolarHBondContact NH1-O 3.25Å; R218-F223 PolarHBondContact O-N 2.93Å; L221-F223 HydrophobicContact CB-CD2 3.51Å; L221-F223 HydrophobicContact CB-CE2 3.66Å; L221-F223 HydrophobicContact CD1-CE2 4.2Å
224	D	91.8	Very high	92.9	Very high	107 Å²	107	53.1 Å²	53.1	57%	0.572	29%	0.287	S	S	*	.	S	Bend	trans	-82.2	-33.1	-178.6	-68.1	-31.9	0	0	0	112.3	N196	N196-D224 PolarHBondContact ND2-N 3.01Å; N196-D224 PolarHBondContact ND2-OD1 2.82Å; N196-D224 VanDerWaalsContact ND2-OD1 3.16Å; N196-D224 PolarHBondContact ND2-OD2 2.71Å; N196-D224 PolarHBondContact O-N 3.36Å
225	S	92.9	Very high	92.6	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.4	-180	64.2	0	0	0	0	111.7	I197 L198	I197-S225 CarbonylContact C-O 3.58Å; I197-S225 WeakPolarHBondContact CA-O 3.31Å; L198-S225 PolarHBondContact N-O 2.95Å
226	V	93.8	Very high	92.4	Very high	30 Å²	30	49 Å²	49	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	149.4	173	-62.6	0	0	0	0	110.9	L198 R214 R218	L198-V226 HydrophobicContact CD2-CG1 4.38Å; R214-V226 HydrophobicContact CB-CG1 4.05Å; R214-V226 WeakPolarHBondContact O-CG1 3.17Å; R218-V226 HydrophobicContact CB-CG1 3.9Å; R218-V226 HydrophobicContact CG-CG1 4.3Å
227	S	94.1	Very high	92.2	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.063	27%	0.266	C	S	.	.			trans	-62.5	140.4	174	66	0	0	0	0	111.4	L198 S202 R214 A233	L198-S227 PolarHBondContact O-N 2.99Å; L198-S227 PolarHBondContact O-OG 2.97Å; S202-S227 PolarHBondContact OG-OG 3.24Å; R214-S227 PolarHBondContact NH1-O 2.71Å; R214-S227 PolarHBondContact NH2-OG 2.97Å; S227-A233 WeakPolarHBondContact OG-CB 3.49Å
228	L	94.1	Very high	91.6	Very high	177 Å²	177	51.5 Å²	51.5	93%	0.927	29%	0.289	S	S	*	.	S	Bend	trans	-78.4	-30.5	-175.9	-61.4	178.8	0	0	0	113.2
229	N	94.9	Very high	90.3	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	28%	0.279	S	S	.	.			trans	-137	134.1	-175.4	-173.8	-63.5	0	0	0	110.2	M231 D232 A233	N229-M231 WeakPolarHBondContact OD1-CA 3.26Å; N229-M231 WeakPolarHBondContact OD1-CB 3.31Å; N229-M231 PolarHBondContact OD1-N 2.94Å; N229-D232 HydrophobicContact CB-CB 4.02Å; N229-D232 PolarHBondContact OD1-N 3.45Å; N229-A233 VanDerWaalsContact O-CB 3.26Å; N229-A233 WeakPolarHBondContact O-CB 3.48Å; N229-A233 PolarHBondContact O-N 3.41Å
230	S	93.4	Very high	88.8	Confident	25 Å²	25	44.8 Å²	44.8	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-74.1	-33.2	-176.6	54.2	0	0	0	0	113.6	I205 G207 T234	I205-S230 CarbonylContact O-C 3.56Å; I205-S230 WeakPolarHBondContact O-CB 3.43Å; I205-S230 PolarHBondContact O-OG 3.21Å; G207-S230 PolarHBondContact N-OG 3Å; S230-T234 WeakPolarHBondContact O-CG2 3.28Å; S230-T234 PolarHBondContact O-N 3.47Å; S230-T234 PolarHBondContact O-OG1 2.81Å
231	M	92.4	Very high	87.1	Confident	87 Å²	87	40.9 Å²	40.9	43%	0.429	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-42.5	174.8	-61.8	-177.9	61.9	0	0	110.9	I205 N229 T234 G235 A322	I205-M231 HydrophobicContact CD1-CE 4.37Å; I205-M231 HydrophobicContact CD1-CG 4.45Å; I205-M231 HydrophobicContact CG1-CG 3.76Å; I205-M231 PolarHBondContact O-N 3.47Å; N229-M231 WeakPolarHBondContact OD1-CA 3.26Å; N229-M231 WeakPolarHBondContact OD1-CB 3.31Å; N229-M231 PolarHBondContact OD1-N 2.94Å; M231-T234 PolarHBondContact O-OG1 3.39Å; M231-G235 PolarHBondContact O-N 2.96Å; M231-A322 HydrophobicContact CB-CB 4.28Å; M231-A322 HydrophobicContact CE-CB 4.47Å
232	D	93.1	Very high	85.6	Confident	77 Å²	77	42.3 Å²	42.3	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-56.2	171.7	177.9	73.5	0	0	0	110	N229 T234 G235 Q236	N229-D232 HydrophobicContact CB-CB 4.02Å; N229-D232 PolarHBondContact OD1-N 3.45Å; D232-T234 PolarHBondContact O-N 2.83Å; D232-G235 PolarHBondContact O-N 3.05Å; D232-Q236 WeakPolarHBondContact O-CB 3.25Å; D232-Q236 WeakPolarHBondContact O-CG 3.41Å; D232-Q236 PolarHBondContact O-N 3.32Å; D232-Q236 PolarHBondContact OD2-NE2 3.5Å; D232-Q236 VanDerWaalsContact OD2-NE2 3.1Å
233	A	91.1	Very high	85.2	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-55.9	-30.5	-173.7	0	0	0	0	0	114.8	P199 S202 S227 N229	P199-A233 HydrophobicContact CB-CB 4.01Å; S202-A233 WeakPolarHBondContact OG-CB 3.17Å; S227-A233 WeakPolarHBondContact OG-CB 3.49Å; N229-A233 VanDerWaalsContact O-CB 3.26Å; N229-A233 WeakPolarHBondContact O-CB 3.48Å; N229-A233 PolarHBondContact O-N 3.41Å
234	T	91.4	Very high	85.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-92.2	-30.3	179.4	52	0	0	0	0	113.1	N115 D116 G203 S230 M231 D232 R237	N115-T234 HydrophobicContact CB-CG2 3.96Å; D116-T234 HydrophobicContact CB-CG2 4.21Å; G203-T234 WeakPolarHBondContact O-CG2 3.46Å; S230-T234 WeakPolarHBondContact O-CG2 3.28Å; S230-T234 PolarHBondContact O-N 3.47Å; S230-T234 PolarHBondContact O-OG1 2.81Å; M231-T234 PolarHBondContact O-OG1 3.39Å; D232-T234 PolarHBondContact O-N 2.83Å; T234-R237 PolarHBondContact O-NH1 3.48Å
235	G	86.7	Confident	85	Confident	18 Å²	18	37.8 Å²	37.8	19%	0.186	21%	0.214	C	C	.	.	H	α-helix	trans	-94.8	-30.6	-176.4	0	0	0	0	0	115.2	M231 D232 A322	M231-G235 PolarHBondContact O-N 2.96Å; D232-G235 PolarHBondContact O-N 3.05Å; G235-A322 WeakPolarHBondContact CA-O 3.36Å
236	Q	86.8	Confident	85.1	Confident	44 Å²	44	41 Å²	41	21%	0.206	22%	0.222	C	C	.	.			trans	-77.3	152	-179.4	70.7	126.8	-48.8	0	0	111.9	D232	D232-Q236 WeakPolarHBondContact O-CB 3.25Å; D232-Q236 WeakPolarHBondContact O-CG 3.41Å; D232-Q236 PolarHBondContact O-N 3.32Å; D232-Q236 PolarHBondContact OD2-NE2 3.5Å; D232-Q236 VanDerWaalsContact OD2-NE2 3.1Å
237	R	87.4	Confident	85.1	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.214	C	C	.	.			trans	-145.9	17.8	176.4	-68	-66.9	-175.8	-70.3	-6.1	112.6	V119 T234 F239 V240 E241 L327 D330	V119-R237 VanDerWaalsContact CG2-NH1 3.32Å; T234-R237 PolarHBondContact O-NH1 3.48Å; R237-F239 PolarHBondContact O-N 3.41Å; R237-V240 PolarHBondContact O-N 3.14Å; R237-E241 VanDerWaalsContact CB-CD 3.5Å; R237-E241 WeakPolarHBondContact CB-OE2 3.44Å; R237-E241 PolarHBondContact O-N 3.16Å; R237-L327 HydrophobicContact CG-CD2 4Å; R237-D330 WeakPolarHBondContact CD-OD2 3.45Å; R237-D330 IonicContact CZ-OD2 3.18Å; R237-D330 IonicContact NE-OD2 2.73Å; R237-D330 PolarHBondContact NE-OD2 2.85Å; R237-D330 IonicContact NH2-OD2 3.37Å
238	D	80.6	Confident	85.1	Confident	90 Å²	90	39.3 Å²	39.3	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-50.1	-36.5	-178.8	-61.1	-0.2	0	0	0	112.7	V240 A242 E243	D238-V240 PolarHBondContact O-N 2.89Å; D238-A242 PolarHBondContact O-N 2.85Å; D238-A242 VanDerWaalsContact O-N 3.14Å; D238-E243 PolarHBondContact O-N 3.36Å
239	F	66.3	Low	85.2	Confident	5 Å²	5	31.1 Å²	31.1	2%	0.022	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-31.2	179.8	68.8	-86.4	0	0	0	114.4	V119 K123 L126 T195 R237	V119-F239 HydrophobicContact CG1-CE1 3.87Å; V119-F239 HydrophobicContact CG1-CZ 3.73Å; K123-F239 HydrophobicContact CB-CE2 4.41Å; K123-F239 HydrophobicContact CD-CD2 4.48Å; K123-F239 HydrophobicContact CD-CE2 4.26Å; K123-F239 HydrophobicContact CD-CZ 4.31Å; K123-F239 HydrophobicContact CG-CD2 3.69Å; K123-F239 HydrophobicContact CG-CE1 4.31Å; K123-F239 HydrophobicContact CG-CE2 3.28Å; K123-F239 HydrophobicContact CG-CG 4.35Å; K123-F239 HydrophobicContact CG-CZ 3.66Å; L126-F239 HydrophobicContact CD2-CD2 4.11Å; T195-F239 HydrophobicContact CG2-CD2 4.25Å; R237-F239 PolarHBondContact O-N 3.41Å
240	V	61.8	Low	85.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-87.9	-44.4	174.2	173.5	0	0	0	0	110	M122 L126 R237 D238 F244 M334	M122-V240 HydrophobicContact CE-CB 4.44Å; M122-V240 HydrophobicContact CE-CG1 4.3Å; M122-V240 HydrophobicContact CE-CG2 3.58Å; L126-V240 HydrophobicContact CD2-CG2 4.11Å; R237-V240 PolarHBondContact O-N 3.14Å; D238-V240 PolarHBondContact O-N 2.89Å; V240-F244 WeakPolarHBondContact O-CB 3.32Å; V240-M334 HydrophobicContact CG1-CB 3.79Å; V240-M334 HydrophobicContact CG1-CG 4.01Å; V240-M334 HydrophobicContact CG1-SD 3.95Å; V240-M334 HydrophobicContact CG2-SD 3.89Å
241	E	57.7	Low	85.3	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-91.2	-54.8	-163	-92.7	101.7	-123.4	0	0	117.2	R237 L245 F312 L316 D330	R237-E241 VanDerWaalsContact CB-CD 3.5Å; R237-E241 WeakPolarHBondContact CB-OE2 3.44Å; R237-E241 PolarHBondContact O-N 3.16Å; E241-L245 HydrophobicContact CG-CD1 4.45Å; E241-L245 WeakPolarHBondContact O-CB 3.3Å; E241-F312 HydrophobicContact CB-CD1 4.15Å; E241-F312 HydrophobicContact CB-CE1 4.38Å; E241-F312 HydrophobicContact CG-CB 4.34Å; E241-F312 HydrophobicContact CG-CD1 2.87Å; E241-F312 HydrophobicContact CG-CE1 3.06Å; E241-F312 HydrophobicContact CG-CG 3.65Å; E241-F312 HydrophobicContact CG-CZ 3.98Å; E241-F312 WeakPolarHBondContact OE1-CE1 3.48Å; E241-F312 VanDerWaalsContact OE1-CZ 3.22Å; E241-F312 WeakPolarHBondContact OE1-CZ 3.36Å; E241-F312 WeakPolarHBondContact OE2-CE1 3.32Å; E241-L316 HydrophobicContact CB-CD1 4.03Å; E241-L316 HydrophobicContact CG-CD1 4.02Å; E241-L316 WeakPolarHBondContact OE2-CD1 3.22Å; E241-D330 VanDerWaalsContact OE1-CB 3.31Å; E241-D330 WeakPolarHBondContact OE1-CB 3.33Å
242	A	62	Low	85.5	Confident	43 Å²	43	23.9 Å²	23.9	36%	0.355	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-30	-168.4	0	0	0	0	0	110.3	D238 F246	D238-A242 PolarHBondContact O-N 2.85Å; D238-A242 VanDerWaalsContact O-N 3.14Å; A242-F246 WeakPolarHBondContact O-CB 3.47Å
243	E	83	Confident	85.6	Confident	53 Å²	53	23.9 Å²	23.9	25%	0.248	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-49.9	-173.1	-57.5	-166.6	164.8	0	0	112.7	I191 R194 D238 W247	I191-E243 HydrophobicContact CD1-CB 3.92Å; I191-E243 WeakPolarHBondContact CD1-O 3.32Å; I191-E243 HydrophobicContact CG1-CB 3.83Å; I191-E243 HydrophobicContact CG2-CB 4.32Å; R194-E243 IonicContact CZ-OE1 2.91Å; R194-E243 IonicContact CZ-OE2 2.66Å; R194-E243 IonicContact NE-OE1 3.28Å; R194-E243 PolarHBondContact NE-OE1 3.01Å; R194-E243 IonicContact NE-OE2 3.58Å; R194-E243 PolarHBondContact NE-OE2 3Å; R194-E243 VanDerWaalsContact NH2-CD 3.34Å; R194-E243 IonicContact NH2-OE1 3.94Å; R194-E243 PolarHBondContact NH2-OE1 2.98Å; R194-E243 IonicContact NH2-OE2 3.86Å; R194-E243 PolarHBondContact NH2-OE2 2.8Å; D238-E243 PolarHBondContact O-N 3.36Å; E243-W247 WeakPolarHBondContact O-CB 3.32Å; E243-W247 PolarHBondContact O-N 2.86Å
244	F	91	Very high	85.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-48.6	-178.2	176.2	-103.9	0	0	0	112.4	L126 I130 L133 V240 F246 W247 A248 C337	L126-F244 HydrophobicContact CD1-CD1 4.08Å; L126-F244 HydrophobicContact CD1-CD2 3.98Å; L126-F244 HydrophobicContact CD1-CE1 4.24Å; L126-F244 HydrophobicContact CD1-CE2 4.14Å; L126-F244 HydrophobicContact CD1-CG 3.94Å; L126-F244 HydrophobicContact CD1-CZ 4.27Å; L126-F244 HydrophobicContact CD2-CB 4.47Å; I130-F244 HydrophobicContact CG1-CD2 4.46Å; L133-F244 HydrophobicContact CD1-CE2 3.62Å; L133-F244 HydrophobicContact CD1-CZ 3.85Å; V240-F244 WeakPolarHBondContact O-CB 3.32Å; F244-F246 VanDerWaalsContact C-N 3.32Å; F244-F246 PolarHBondContact O-N 2.83Å; F244-W247 AromaticContact CD2-CE3 3.86Å; F244-W247 HydrophobicContact CD2-CE3 3.86Å; F244-W247 HydrophobicContact CD2-CZ3 4.19Å; F244-W247 AromaticContact CE2-CE3 3.78Å; F244-W247 HydrophobicContact CE2-CE3 3.78Å; F244-W247 AromaticContact CE2-CZ3 3.63Å; F244-W247 HydrophobicContact CE2-CZ3 3.63Å; F244-W247 HydrophobicContact CZ-CZ3 4.34Å; F244-W247 PolarHBondContact O-N 3.41Å; F244-A248 WeakPolarHBondContact O-CB 3.43Å; F244-A248 PolarHBondContact O-N 2.73Å; F244-C337 HydrophobicContact CE1-CB 4.34Å
245	L	91.4	Very high	86.1	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-36.5	178.2	-58.2	176.7	0	0	0	112.1	E241 A248 S249 C309 F312 A333 C337	E241-L245 HydrophobicContact CG-CD1 4.45Å; E241-L245 WeakPolarHBondContact O-CB 3.3Å; L245-A248 PolarHBondContact O-N 2.98Å; L245-S249 WeakPolarHBondContact O-CB 3.49Å; L245-S249 PolarHBondContact O-N 2.71Å; L245-S249 PolarHBondContact O-OG 2.96Å; L245-C309 HydrophobicContact CB-CB 3.87Å; L245-F312 HydrophobicContact CD1-CB 4.26Å; L245-A333 HydrophobicContact CD1-CB 4.37Å; L245-C337 HydrophobicContact CD2-CB 3.66Å; L245-C337 WeakPolarHBondContact CD2-SG 3.44Å
246	F	93.1	Very high	86.6	Confident	116 Å²	116	26 Å²	26	51%	0.509	14%	0.14	S	C	.	.	H	α-helix	trans	-67.3	-45.9	174.7	179.1	-105.8	0	0	0	111.6	A242 F244 A248 S249 L250	A242-F246 WeakPolarHBondContact O-CB 3.47Å; F244-F246 VanDerWaalsContact C-N 3.32Å; F244-F246 PolarHBondContact O-N 2.83Å; F246-A248 VanDerWaalsContact C-N 3.31Å; F246-A248 PolarHBondContact O-N 2.89Å; F246-S249 WeakPolarHBondContact O-CB 3.47Å; F246-S249 PolarHBondContact O-N 3.48Å; F246-L250 HydrophobicContact CE1-CD2 4.42Å; F246-L250 WeakPolarHBondContact O-CB 3.5Å; F246-L250 PolarHBondContact O-N 2.81Å
247	W	95.1	Very high	87	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-55.9	-47.2	173.8	166	84.9	0	0	0	111.2	L133 D184 L188 I191 E243 F244 S249 L250 C251 V341	L133-W247 HydrophobicContact CB-CH2 4.2Å; L133-W247 HydrophobicContact CD1-CH2 3.89Å; L133-W247 HydrophobicContact CD1-CZ3 3.78Å; D184-W247 PolarHBondContact O-NE1 2.79Å; L188-W247 HydrophobicContact CB-CZ2 4.22Å; L188-W247 HydrophobicContact CD1-CD2 3.88Å; L188-W247 HydrophobicContact CD1-CE3 4.03Å; L188-W247 HydrophobicContact CD1-CH2 4.12Å; L188-W247 HydrophobicContact CD1-CZ2 3.94Å; L188-W247 HydrophobicContact CD1-CZ3 4.16Å; L188-W247 HydrophobicContact CD2-CH2 4.02Å; L188-W247 HydrophobicContact CD2-CZ2 3.64Å; L188-W247 HydrophobicContact CG-CZ2 4.14Å; I191-W247 HydrophobicContact CD1-CB 3.62Å; I191-W247 HydrophobicContact CD1-CG 4.06Å; E243-W247 WeakPolarHBondContact O-CB 3.32Å; E243-W247 PolarHBondContact O-N 2.86Å; F244-W247 AromaticContact CD2-CE3 3.86Å; F244-W247 HydrophobicContact CD2-CE3 3.86Å; F244-W247 HydrophobicContact CD2-CZ3 4.19Å; F244-W247 AromaticContact CE2-CE3 3.78Å; F244-W247 HydrophobicContact CE2-CE3 3.78Å; F244-W247 AromaticContact CE2-CZ3 3.63Å; F244-W247 HydrophobicContact CE2-CZ3 3.63Å; F244-W247 HydrophobicContact CZ-CZ3 4.34Å; F244-W247 PolarHBondContact O-N 3.41Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 3.44Å; W247-L250 PolarHBondContact O-N 2.9Å; W247-C251 VanDerWaalsContact O-CB 3.32Å; W247-C251 WeakPolarHBondContact O-CB 3.35Å; W247-C251 PolarHBondContact O-N 2.77Å; W247-V341 HydrophobicContact CH2-CG1 3.89Å; W247-V341 HydrophobicContact CZ3-CG1 4.11Å
248	A	94.6	Very high	87.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-42.7	177.6	0	0	0	0	0	111.3	F244 L245 F246 L252 V305 V341	F244-A248 WeakPolarHBondContact O-CB 3.43Å; F244-A248 PolarHBondContact O-N 2.73Å; L245-A248 PolarHBondContact O-N 2.98Å; F246-A248 VanDerWaalsContact C-N 3.31Å; F246-A248 PolarHBondContact O-N 2.89Å; A248-L252 WeakPolarHBondContact O-CB 3.42Å; A248-L252 WeakPolarHBondContact O-CG 3.5Å; A248-L252 PolarHBondContact O-N 3.41Å; A248-V305 HydrophobicContact CB-CG1 3.68Å; A248-V341 HydrophobicContact CB-CG2 3.77Å
249	S	94.9	Very high	88.2	Confident	5 Å²	5	26 Å²	26	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-43.1	176.9	-59.4	0	0	0	0	112	L245 F246 W247 T253 F306	L245-S249 WeakPolarHBondContact O-CB 3.49Å; L245-S249 PolarHBondContact O-N 2.71Å; L245-S249 PolarHBondContact O-OG 2.96Å; F246-S249 WeakPolarHBondContact O-CB 3.47Å; F246-S249 PolarHBondContact O-N 3.48Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 3.44Å; S249-T253 PolarHBondContact O-N 2.93Å; S249-T253 PolarHBondContact O-OG1 2.86Å; S249-F306 WeakPolarHBondContact OG-CA 3.49Å
250	L	95.2	Very high	89.6	Confident	40 Å²	40	29.2 Å²	29.2	21%	0.209	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-44.6	179.2	-175.8	59.7	0	0	0	111.2	F246 W247 L252 T253 H254	F246-L250 HydrophobicContact CE1-CD2 4.42Å; F246-L250 WeakPolarHBondContact O-CB 3.5Å; F246-L250 PolarHBondContact O-N 2.81Å; W247-L250 PolarHBondContact O-N 2.9Å; L250-L252 PolarHBondContact O-N 3.13Å; L250-T253 WeakPolarHBondContact O-CB 3.32Å; L250-T253 PolarHBondContact O-N 2.77Å; L250-T253 VanDerWaalsContact O-N 3.09Å; L250-H254 PolarHBondContact O-N 2.85Å; L250-H254 VanDerWaalsContact O-N 3.07Å; L250-H254 PolarHBondContact O-ND1 3.38Å
251	C	95.8	Very high	91.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-47.4	175.8	-175.8	0	0	0	0	111.2	W247 T253 H254 L255	W247-C251 VanDerWaalsContact O-CB 3.32Å; W247-C251 WeakPolarHBondContact O-CB 3.35Å; W247-C251 PolarHBondContact O-N 2.77Å; C251-T253 VanDerWaalsContact C-N 3.28Å; C251-T253 PolarHBondContact O-N 3.47Å; C251-H254 WeakPolarHBondContact O-CB 3.14Å; C251-H254 PolarHBondContact O-N 3.22Å; C251-H254 VanDerWaalsContact O-N 3.12Å; C251-L255 WeakPolarHBondContact O-CG 3.33Å; C251-L255 PolarHBondContact O-N 3.22Å
252	L	95.9	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-24.5	176.8	-69.8	-175.8	0	0	0	113.6	A248 L250 H254 L255 S256 A302 V305 T340 V341 V344	A248-L252 WeakPolarHBondContact O-CB 3.42Å; A248-L252 WeakPolarHBondContact O-CG 3.5Å; A248-L252 PolarHBondContact O-N 3.41Å; L250-L252 PolarHBondContact O-N 3.13Å; L252-H254 VanDerWaalsContact C-N 3.34Å; L252-L255 HydrophobicContact CD2-CD1 4.25Å; L252-S256 WeakPolarHBondContact O-CB 3.3Å; L252-S256 PolarHBondContact O-N 3.08Å; L252-S256 PolarHBondContact O-OG 2.88Å; L252-A302 HydrophobicContact CB-CB 3.95Å; L252-V305 HydrophobicContact CD1-CB 3.69Å; L252-V305 HydrophobicContact CD1-CG1 4.16Å; L252-V305 HydrophobicContact CD1-CG2 3.34Å; L252-T340 HydrophobicContact CD1-CG2 4.18Å; L252-V341 HydrophobicContact CD1-CG2 4.15Å; L252-V341 HydrophobicContact CD2-CG2 4.49Å; L252-V341 HydrophobicContact CG-CG2 4.18Å; L252-V344 HydrophobicContact CD2-CB 3.97Å; L252-V344 HydrophobicContact CD2-CG1 3.49Å; L252-V344 VanDerWaalsContact CD2-CG1 3.49Å; L252-V344 HydrophobicContact CD2-CG2 4.15Å
253	T	96.3	Very high	94.6	Very high	77 Å²	77	29.6 Å²	29.6	47%	0.472	15%	0.146	S	C	.	.	H	α-helix	trans	-67.6	-37.6	170.9	-59.8	0	0	0	0	111.2	S249 L250 C251 S256 K257	S249-T253 PolarHBondContact O-N 2.93Å; S249-T253 PolarHBondContact O-OG1 2.86Å; L250-T253 WeakPolarHBondContact O-CB 3.32Å; L250-T253 PolarHBondContact O-N 2.77Å; L250-T253 VanDerWaalsContact O-N 3.09Å; C251-T253 VanDerWaalsContact C-N 3.28Å; C251-T253 PolarHBondContact O-N 3.47Å; T253-S256 PolarHBondContact O-OG 3.46Å; T253-K257 PolarHBondContact O-N 3.12Å
254	H	96.6	Very high	95.2	Very high	39 Å²	39	29.2 Å²	29.2	18%	0.181	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-43.2	174.4	-58	149.2	0	0	0	111.8	V180 D184 L250 C251 L252 S256 K257 M258	V180-H254 HydrophobicContact CG1-CB 3.58Å; V180-H254 VanDerWaalsContact CG1-CD2 3.41Å; V180-H254 WeakPolarHBondContact CG1-CD2 3.4Å; V180-H254 VanDerWaalsContact CG1-CE1 3.46Å; V180-H254 WeakPolarHBondContact CG1-CE1 3.49Å; V180-H254 WeakPolarHBondContact CG1-ND1 3.28Å; D184-H254 IonicContact OD1-CE1 2.75Å; D184-H254 PolarHBondContact OD1-CE1 3.29Å; D184-H254 VanDerWaalsContact OD1-CE1 3.27Å; D184-H254 IonicContact OD1-ND1 3.21Å; D184-H254 PolarHBondContact OD1-ND1 3.49Å; D184-H254 IonicContact OD2-CE1 2.98Å; D184-H254 IonicContact OD2-CG 3.23Å; D184-H254 IonicContact OD2-ND1 3.42Å; D184-H254 PolarHBondContact OD2-ND1 3.48Å; L250-H254 PolarHBondContact O-N 2.85Å; L250-H254 VanDerWaalsContact O-N 3.07Å; L250-H254 PolarHBondContact O-ND1 3.38Å; C251-H254 WeakPolarHBondContact O-CB 3.14Å; C251-H254 PolarHBondContact O-N 3.22Å; C251-H254 VanDerWaalsContact O-N 3.12Å; L252-H254 VanDerWaalsContact C-N 3.34Å; H254-S256 VanDerWaalsContact C-N 3.35Å; H254-K257 WeakPolarHBondContact O-CB 3.21Å; H254-K257 PolarHBondContact O-N 3.26Å; H254-M258 PolarHBondContact O-N 2.99Å; H254-M258 VanDerWaalsContact O-N 3.13Å
255	L	95.9	Very high	95.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-32.4	177.6	-65.8	-178.5	0	0	0	112.7	L140 L181 C251 L252 M258 A259 I298 V344 L345 T348	L140-L255 HydrophobicContact CD2-CD2 4.24Å; L181-L255 HydrophobicContact CD1-CD2 4.46Å; L181-L255 HydrophobicContact CD2-CD2 3.99Å; L181-L255 HydrophobicContact CD2-CG 4.44Å; C251-L255 WeakPolarHBondContact O-CG 3.33Å; C251-L255 PolarHBondContact O-N 3.22Å; L252-L255 HydrophobicContact CD2-CD1 4.25Å; L255-M258 HydrophobicContact CD2-CE 3.86Å; L255-M258 PolarHBondContact O-N 2.72Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.37Å; L255-I298 HydrophobicContact CB-CG2 3.95Å; L255-V344 HydrophobicContact CD1-CG1 3.54Å; L255-L345 HydrophobicContact CD1-CD2 4.03Å; L255-T348 HydrophobicContact CD2-CG2 4.08Å
256	S	96.6	Very high	95.4	Very high	25 Å²	25	31.2 Å²	31.2	18%	0.175	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-37.9	174.3	72.6	0	0	0	0	111.7	L252 T253 H254 A259 E260	L252-S256 WeakPolarHBondContact O-CB 3.3Å; L252-S256 PolarHBondContact O-N 3.08Å; L252-S256 PolarHBondContact O-OG 2.88Å; T253-S256 PolarHBondContact O-OG 3.46Å; H254-S256 VanDerWaalsContact C-N 3.35Å; S256-A259 WeakPolarHBondContact O-CB 3.32Å; S256-A259 PolarHBondContact O-N 3.41Å; S256-E260 PolarHBondContact O-N 3.3Å
257	K	96.1	Very high	95.4	Very high	130 Å²	130	27.9 Å²	27.9	57%	0.565	15%	0.147	S	C	*	.	H	α-helix	trans	-62.4	-45.3	172.8	-171	-168.6	171.6	-172.4	0	111.7	Y177 T253 H254 A259 E260 D261	Y177-K257 HydrophobicContact CE1-CB 4.3Å; Y177-K257 HydrophobicContact CE1-CD 4.13Å; Y177-K257 HydrophobicContact CE1-CG 4.26Å; T253-K257 PolarHBondContact O-N 3.12Å; H254-K257 WeakPolarHBondContact O-CB 3.21Å; H254-K257 PolarHBondContact O-N 3.26Å; K257-A259 VanDerWaalsContact C-N 3.31Å; K257-A259 PolarHBondContact O-N 2.84Å; K257-E260 WeakPolarHBondContact O-CB 3.4Å; K257-E260 PolarHBondContact O-N 3.47Å; K257-D261 PolarHBondContact O-N 3.33Å; K257-D261 VanDerWaalsContact O-N 3.15Å
258	M	96.1	Very high	95.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-39.4	175.8	-172.2	175.8	67.1	0	0	111.9	M144 W173 Y177 H254 L255 E260 D261 L262 T348 M352	M144-M258 HydrophobicContact CE-SD 3.88Å; W173-M258 HydrophobicContact CH2-CG 4.19Å; W173-M258 HydrophobicContact CZ2-CG 4.34Å; Y177-M258 HydrophobicContact CD1-CB 3.77Å; Y177-M258 HydrophobicContact CD1-CG 4.23Å; Y177-M258 HydrophobicContact CD1-SD 4.47Å; Y177-M258 HydrophobicContact CD2-CB 4.38Å; Y177-M258 HydrophobicContact CD2-CG 4.03Å; Y177-M258 HydrophobicContact CD2-SD 4.31Å; Y177-M258 HydrophobicContact CE1-CB 3.62Å; Y177-M258 HydrophobicContact CE1-CG 4.32Å; Y177-M258 HydrophobicContact CE2-CB 4.25Å; Y177-M258 HydrophobicContact CE2-CG 4.13Å; Y177-M258 HydrophobicContact CG-CB 4.16Å; Y177-M258 HydrophobicContact CG-CG 4.1Å; Y177-M258 HydrophobicContact CG-SD 4.06Å; H254-M258 PolarHBondContact O-N 2.99Å; H254-M258 VanDerWaalsContact O-N 3.13Å; L255-M258 HydrophobicContact CD2-CE 3.86Å; L255-M258 PolarHBondContact O-N 2.72Å; M258-E260 VanDerWaalsContact C-N 3.32Å; M258-E260 PolarHBondContact O-N 3.44Å; M258-D261 PolarHBondContact O-N 3.47Å; M258-L262 HydrophobicContact CG-CD1 4.1Å; M258-L262 HydrophobicContact CG-CG 4.49Å; M258-L262 WeakPolarHBondContact O-CB 3Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 2.81Å; M258-T348 HydrophobicContact CE-CG2 3.17Å; M258-M352 HydrophobicContact CE-CG 4.38Å; M258-M352 HydrophobicContact CE-SD 4.47Å; M258-M352 HydrophobicContact SD-SD 4.17Å
259	A	96.1	Very high	95	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-41.9	175.3	0	0	0	0	0	111.4	L255 S256 K257 L262 M263 L295 I298 R299	L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.37Å; S256-A259 WeakPolarHBondContact O-CB 3.32Å; S256-A259 PolarHBondContact O-N 3.41Å; K257-A259 VanDerWaalsContact C-N 3.31Å; K257-A259 PolarHBondContact O-N 2.84Å; A259-L262 PolarHBondContact O-N 3.42Å; A259-M263 VanDerWaalsContact O-CB 3.28Å; A259-M263 WeakPolarHBondContact O-CB 3.45Å; A259-M263 WeakPolarHBondContact O-CG 3.09Å; A259-M263 PolarHBondContact O-N 2.98Å; A259-L295 HydrophobicContact CB-CB 4.1Å; A259-L295 HydrophobicContact CB-CD2 4.34Å; A259-L295 WeakPolarHBondContact CB-O 3.4Å; A259-I298 HydrophobicContact CB-CB 4.41Å; A259-I298 HydrophobicContact CB-CG2 4.18Å; A259-R299 HydrophobicContact CB-CB 4.36Å
260	E	96.8	Very high	94.9	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-50.9	175	-163.8	70.1	-148.3	0	0	112	S256 K257 M258 L262 M263 L264 R299	S256-E260 PolarHBondContact O-N 3.3Å; K257-E260 WeakPolarHBondContact O-CB 3.4Å; K257-E260 PolarHBondContact O-N 3.47Å; M258-E260 VanDerWaalsContact C-N 3.32Å; M258-E260 PolarHBondContact O-N 3.44Å; E260-L262 PolarHBondContact O-N 3.31Å; E260-M263 PolarHBondContact O-N 3.42Å; E260-L264 HydrophobicContact CG-CD1 4.16Å; E260-L264 WeakPolarHBondContact O-CG 3.47Å; E260-L264 PolarHBondContact O-N 3.42Å; E260-R299 IonicContact OE1-NH1 2.73Å; E260-R299 PolarHBondContact OE1-NH1 2.98Å; E260-R299 VanDerWaalsContact OE1-NH1 3.1Å; E260-R299 WeakPolarHBondContact OE2-CD 3.11Å; E260-R299 IonicContact OE2-CZ 3.05Å; E260-R299 IonicContact OE2-NE 3.49Å; E260-R299 IonicContact OE2-NH1 3.7Å; E260-R299 PolarHBondContact OE2-NH1 3.05Å
261	D	96.1	Very high	94.8	Very high	25 Å²	25	44 Å²	44	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-50.7	179.2	-79.6	-0.5	0	0	0	110.8	W173 Y177 K257 M258 M263 L264 Y265	W173-D261 HydrophobicContact CZ2-CB 3.69Å; W173-D261 PolarHBondContact NE1-OD2 2.86Å; Y177-D261 VanDerWaalsContact OH-CG 3.32Å; Y177-D261 PolarHBondContact OH-OD2 3.37Å; K257-D261 PolarHBondContact O-N 3.33Å; K257-D261 VanDerWaalsContact O-N 3.15Å; M258-D261 PolarHBondContact O-N 3.47Å; D261-M263 VanDerWaalsContact C-N 3.33Å; D261-M263 PolarHBondContact O-N 3.17Å; D261-L264 PolarHBondContact O-N 3.49Å; D261-Y265 HydrophobicContact CB-CD2 4.4Å; D261-Y265 HydrophobicContact CB-CE2 3.86Å; D261-Y265 WeakPolarHBondContact O-CB 3.46Å; D261-Y265 WeakPolarHBondContact O-CD1 3.48Å; D261-Y265 WeakPolarHBondContact O-CD2 3.38Å; D261-Y265 PolarHBondContact O-N 2.85Å
262	L	95.2	Very high	94.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-35.6	-179.3	-72.4	174.6	0	0	0	112.5	W170 W173 M258 A259 E260 Y265 S266 L295 V351 M352 L355	W170-L262 HydrophobicContact CH2-CD2 4.29Å; W173-L262 HydrophobicContact CH2-CD1 4.41Å; W173-L262 HydrophobicContact CH2-CD2 3.56Å; W173-L262 HydrophobicContact CH2-CG 3.79Å; W173-L262 HydrophobicContact CZ2-CD2 4.3Å; W173-L262 HydrophobicContact CZ2-CG 4.29Å; W173-L262 HydrophobicContact CZ3-CD2 4.25Å; M258-L262 HydrophobicContact CG-CD1 4.1Å; M258-L262 HydrophobicContact CG-CG 4.49Å; M258-L262 WeakPolarHBondContact O-CB 3Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 2.81Å; A259-L262 PolarHBondContact O-N 3.42Å; E260-L262 PolarHBondContact O-N 3.31Å; L262-Y265 PolarHBondContact O-N 3.44Å; L262-S266 VanDerWaalsContact O-CB 3.3Å; L262-S266 WeakPolarHBondContact O-CB 3.42Å; L262-S266 PolarHBondContact O-N 3.32Å; L262-S266 PolarHBondContact O-OG 2.92Å; L262-L295 HydrophobicContact CB-CD1 3.4Å; L262-L295 HydrophobicContact CB-CD2 4.37Å; L262-L295 HydrophobicContact CD1-CD1 4.44Å; L262-L295 HydrophobicContact CD1-CD2 4.07Å; L262-V351 HydrophobicContact CD1-CG1 4.45Å; L262-M352 HydrophobicContact CD1-SD 3.87Å; L262-L355 HydrophobicContact CD2-CD2 4.29Å
263	M	94.4	Very high	94.6	Very high	26 Å²	26	44.4 Å²	44.4	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-51.3	173.2	-78.5	179.6	64	0	0	110.4	A259 E260 D261 Y265 S266 T267 A292 L295 E296	A259-M263 VanDerWaalsContact O-CB 3.28Å; A259-M263 WeakPolarHBondContact O-CB 3.45Å; A259-M263 WeakPolarHBondContact O-CG 3.09Å; A259-M263 PolarHBondContact O-N 2.98Å; E260-M263 PolarHBondContact O-N 3.42Å; D261-M263 VanDerWaalsContact C-N 3.33Å; D261-M263 PolarHBondContact O-N 3.17Å; M263-Y265 VanDerWaalsContact C-N 3.32Å; M263-Y265 PolarHBondContact O-N 2.92Å; M263-S266 PolarHBondContact O-N 3.42Å; M263-S266 VanDerWaalsContact O-N 3.12Å; M263-S266 PolarHBondContact O-OG 3Å; M263-T267 WeakPolarHBondContact O-CG2 3.21Å; M263-T267 PolarHBondContact O-N 3.1Å; M263-A292 HydrophobicContact CG-CB 4.01Å; M263-L295 HydrophobicContact CG-CB 3.62Å; M263-L295 HydrophobicContact CG-CD1 3.99Å; M263-L295 HydrophobicContact CG-CG 4.47Å; M263-L295 HydrophobicContact SD-CB 4.2Å; M263-E296 HydrophobicContact CE-CG 3.41Å; M263-E296 VanDerWaalsContact CE-CG 3.41Å; M263-E296 HydrophobicContact SD-CG 3.72Å
264	L	95.2	Very high	94.4	Very high	45 Å²	45	43.2 Å²	43.2	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-45.4	177.3	-73.6	165	0	0	0	111.4	M162 E260 D261 S266 T267 Y270	M162-L264 HydrophobicContact CE-CD1 3.66Å; M162-L264 HydrophobicContact SD-CD1 4.12Å; E260-L264 HydrophobicContact CG-CD1 4.16Å; E260-L264 WeakPolarHBondContact O-CG 3.47Å; E260-L264 PolarHBondContact O-N 3.42Å; D261-L264 PolarHBondContact O-N 3.49Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-T267 WeakPolarHBondContact O-CB 3.39Å; L264-T267 WeakPolarHBondContact O-CG2 3.48Å; L264-T267 PolarHBondContact O-N 2.93Å; L264-T267 PolarHBondContact O-OG1 2.65Å; L264-Y270 WeakPolarHBondContact O-CB 3.44Å
265	Y	94.6	Very high	94.1	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-22.1	179.2	-63.2	-15	0	0	0	113.7	F156 Y159 W170 W173 D261 L262 M263 Y270 F272 V273	F156-Y265 HydrophobicContact CE2-CE2 4.27Å; F156-Y265 AromaticContact CE2-CZ 3.94Å; Y159-Y265 HydrophobicContact CD2-CE1 4.43Å; Y159-Y265 HydrophobicContact CE2-CE1 4.12Å; W170-Y265 HydrophobicContact CZ3-CD2 4.17Å; W170-Y265 HydrophobicContact CZ3-CE2 4.24Å; W173-Y265 HydrophobicContact CD2-CE2 4.42Å; W173-Y265 AromaticContact CE2-CE2 3.78Å; W173-Y265 AromaticContact CZ2-CE2 3.99Å; W173-Y265 HydrophobicContact CZ2-CE2 3.99Å; W173-Y265 AromaticContact NE1-CE2 3.76Å; D261-Y265 HydrophobicContact CB-CD2 4.4Å; D261-Y265 HydrophobicContact CB-CE2 3.86Å; D261-Y265 WeakPolarHBondContact O-CB 3.46Å; D261-Y265 WeakPolarHBondContact O-CD1 3.48Å; D261-Y265 WeakPolarHBondContact O-CD2 3.38Å; D261-Y265 PolarHBondContact O-N 2.85Å; L262-Y265 PolarHBondContact O-N 3.44Å; M263-Y265 VanDerWaalsContact C-N 3.32Å; M263-Y265 PolarHBondContact O-N 2.92Å; Y265-Y270 HydrophobicContact CD1-CD1 4.27Å; Y265-F272 AromaticContact CD1-CD2 3.64Å; Y265-F272 HydrophobicContact CD1-CD2 3.64Å; Y265-F272 HydrophobicContact CD1-CE2 4.15Å; Y265-F272 HydrophobicContact CE1-CD2 4.21Å; Y265-F272 HydrophobicContact CE1-CE2 4.4Å; Y265-F272 AromaticContact CG-CD2 3.98Å; Y265-F272 HydrophobicContact CG-CD2 3.98Å; Y265-F272 PolarHBondContact O-N 3.03Å; Y265-V273 PolarHBondContact O-N 3.01Å; Y265-V273 VanDerWaalsContact O-N 3.13Å
266	S	93	Very high	93.9	Very high	34 Å²	34	43 Å²	43	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-86.8	-10.7	178.1	75.1	0	0	0	0	114.4	L262 M263 L264	L262-S266 VanDerWaalsContact O-CB 3.3Å; L262-S266 WeakPolarHBondContact O-CB 3.42Å; L262-S266 PolarHBondContact O-N 3.32Å; L262-S266 PolarHBondContact O-OG 2.92Å; M263-S266 PolarHBondContact O-N 3.42Å; M263-S266 VanDerWaalsContact O-N 3.12Å; M263-S266 PolarHBondContact O-OG 3Å; L264-S266 PolarHBondContact O-N 3.49Å
267	T	93.8	Very high	93.4	Very high	46 Å²	46	47.5 Å²	47.5	28%	0.282	24%	0.242	S	C	.	.	S	Bend	trans	-64.3	163.1	176.9	64.1	0	0	0	0	111.9	M263 L264 E269 Y270 S271	M263-T267 WeakPolarHBondContact O-CG2 3.21Å; M263-T267 PolarHBondContact O-N 3.1Å; L264-T267 WeakPolarHBondContact O-CB 3.39Å; L264-T267 WeakPolarHBondContact O-CG2 3.48Å; L264-T267 PolarHBondContact O-N 2.93Å; L264-T267 PolarHBondContact O-OG1 2.65Å; T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 WeakPolarHBondContact CB-OE2 2.66Å; T267-E269 PolarHBondContact O-N 2.8Å; T267-Y270 VanDerWaalsContact OG1-CD2 3.32Å; T267-Y270 WeakPolarHBondContact OG1-CD2 3.39Å; T267-Y270 PolarHBondContact OG1-N 3.43Å; T267-S271 VanDerWaalsContact O-CA 3.32Å; T267-S271 WeakPolarHBondContact O-CA 3.16Å; T267-S271 PolarHBondContact O-N 3.1Å; T267-S271 PolarHBondContact O-OG 3.39Å
268	K	89.1	Confident	93	Very high	138 Å²	138	45.4 Å²	45.4	60%	0.6	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-30.7	178.7	-69	-62.8	-178.2	-169.7	0	111.9	Y270 S271 Q288	K268-Y270 VanDerWaalsContact C-N 3.33Å; K268-Y270 PolarHBondContact O-N 3.1Å; K268-S271 WeakPolarHBondContact CA-OG 3.49Å; K268-S271 PolarHBondContact O-OG 3.2Å; K268-Q288 PolarHBondContact NZ-O 2.63Å
269	E	92.1	Very high	92.6	Very high	161 Å²	161	48.7 Å²	48.7	75%	0.752	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.3	179.3	-65.9	73.7	-166.7	0	0	111.8	T267	T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 WeakPolarHBondContact CB-OE2 2.66Å; T267-E269 PolarHBondContact O-N 2.8Å
270	Y	92.1	Very high	92.2	Very high	55 Å²	55	49.2 Å²	49.2	22%	0.216	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-49.9	177.7	-71.6	-106.6	0	0	0	111.6	Y159 L264 Y265 T267 K268 F272 V361	Y159-Y270 AromaticContact CE1-CE1 3.92Å; Y159-Y270 HydrophobicContact CE1-CE1 3.92Å; Y159-Y270 AromaticContact CZ-CE1 3.68Å; Y159-Y270 VanDerWaalsContact OH-CE1 3.29Å; Y159-Y270 WeakPolarHBondContact OH-CE1 3.46Å; L264-Y270 WeakPolarHBondContact O-CB 3.44Å; Y265-Y270 HydrophobicContact CD1-CD1 4.27Å; T267-Y270 VanDerWaalsContact OG1-CD2 3.32Å; T267-Y270 WeakPolarHBondContact OG1-CD2 3.39Å; T267-Y270 PolarHBondContact OG1-N 3.43Å; K268-Y270 VanDerWaalsContact C-N 3.33Å; K268-Y270 PolarHBondContact O-N 3.1Å; Y270-F272 HydrophobicContact CD1-CD2 4.12Å; Y270-F272 AromaticContact CD1-CE2 3.57Å; Y270-F272 HydrophobicContact CD1-CE2 3.57Å; Y270-F272 AromaticContact CD1-CZ 3.91Å; Y270-F272 HydrophobicContact CD1-CZ 3.91Å; Y270-F272 HydrophobicContact CE1-CE2 4.43Å; Y270-F272 HydrophobicContact CG-CE2 4.45Å; Y270-F272 WeakPolarHBondContact O-CD1 3.49Å; Y270-F272 WeakPolarHBondContact O-CE1 2.93Å; Y270-F272 PolarHBondContact O-N 2.74Å; Y270-F272 VanDerWaalsContact O-N 3.08Å; Y270-V361 WeakPolarHBondContact O-CG1 3.29Å
271	S	93.4	Very high	91.5	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	27%	0.267	C	S	.	.			trans	52.5	27.4	179.9	-66.5	0	0	0	0	114.7	T267 K268 N358	T267-S271 VanDerWaalsContact O-CA 3.32Å; T267-S271 WeakPolarHBondContact O-CA 3.16Å; T267-S271 PolarHBondContact O-N 3.1Å; T267-S271 PolarHBondContact O-OG 3.39Å; K268-S271 WeakPolarHBondContact CA-OG 3.49Å; K268-S271 PolarHBondContact O-OG 3.2Å; S271-N358 WeakPolarHBondContact O-CB 3.46Å; S271-N358 PolarHBondContact O-ND2 2.92Å
272	F	93.4	Very high	90.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	29%	0.29	C	S	.	.			trans	-73.8	-40.4	-179.2	-64.7	-18.3	0	0	0	112	F156 P157 Y159 Y265 Y270 N358 V361 M362 A365	F156-F272 HydrophobicContact CD2-CE2 4.47Å; P157-F272 HydrophobicContact CG-CE2 4.03Å; P157-F272 HydrophobicContact CG-CZ 3.73Å; Y159-F272 HydrophobicContact CE2-CE2 4.14Å; Y159-F272 VanDerWaalsContact OH-CE2 3.29Å; Y159-F272 WeakPolarHBondContact OH-CE2 3.2Å; Y159-F272 WeakPolarHBondContact OH-CZ 3.37Å; Y265-F272 AromaticContact CD1-CD2 3.64Å; Y265-F272 HydrophobicContact CD1-CD2 3.64Å; Y265-F272 HydrophobicContact CD1-CE2 4.15Å; Y265-F272 HydrophobicContact CE1-CD2 4.21Å; Y265-F272 HydrophobicContact CE1-CE2 4.4Å; Y265-F272 AromaticContact CG-CD2 3.98Å; Y265-F272 HydrophobicContact CG-CD2 3.98Å; Y265-F272 PolarHBondContact O-N 3.03Å; Y270-F272 HydrophobicContact CD1-CD2 4.12Å; Y270-F272 AromaticContact CD1-CE2 3.57Å; Y270-F272 HydrophobicContact CD1-CE2 3.57Å; Y270-F272 AromaticContact CD1-CZ 3.91Å; Y270-F272 HydrophobicContact CD1-CZ 3.91Å; Y270-F272 HydrophobicContact CE1-CE2 4.43Å; Y270-F272 HydrophobicContact CG-CE2 4.45Å; Y270-F272 WeakPolarHBondContact O-CD1 3.49Å; Y270-F272 WeakPolarHBondContact O-CE1 2.93Å; Y270-F272 PolarHBondContact O-N 2.74Å; Y270-F272 VanDerWaalsContact O-N 3.08Å; F272-N358 PolarHBondContact O-N 3.37Å; F272-V361 HydrophobicContact CD1-CG1 4.12Å; F272-V361 HydrophobicContact CE1-CG1 4.4Å; F272-M362 HydrophobicContact CB-CE 3.74Å; F272-M362 HydrophobicContact CB-CG 3.94Å; F272-M362 HydrophobicContact CD1-CG 3.88Å; F272-M362 HydrophobicContact CG-CG 3.96Å; F272-M362 WeakPolarHBondContact O-CE 3.34Å; F272-A365 HydrophobicContact CE1-CB 3.56Å; F272-A365 HydrophobicContact CZ-CB 3.74Å
273	V	93.9	Very high	89.6	Confident	4 Å²	4	52 Å²	52	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.1	-177.9	-55.3	0	0	0	0	111.3	W170 Y265 L355 K356 I357 M362	W170-V273 HydrophobicContact CH2-CG1 3.97Å; W170-V273 HydrophobicContact CZ3-CG1 4.49Å; Y265-V273 PolarHBondContact O-N 3.01Å; Y265-V273 VanDerWaalsContact O-N 3.13Å; V273-L355 HydrophobicContact CG1-CD1 4.39Å; V273-K356 CarbonylContact C-O 3.53Å; V273-K356 WeakPolarHBondContact CA-O 3.32Å; V273-I357 HydrophobicContact CG1-CG2 4.38Å; V273-M362 HydrophobicContact CG1-CE 4.18Å
274	T	91.9	Very high	88.5	Confident	52 Å²	52	56.8 Å²	56.8	32%	0.319	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.5	171.7	-59.7	0	0	0	0	108.9	K290 K356 N358	T274-K290 HydrophobicContact CG2-CD 4.4Å; T274-K356 PolarHBondContact N-O 2.94Å; T274-K356 PolarHBondContact O-N 2.78Å; T274-N358 PolarHBondContact OG1-ND2 3.03Å
275	L	90.9	Very high	87.1	Confident	8 Å²	8	62 Å²	62	4%	0.042	37%	0.365	C	S	.	.			trans	-73.1	146.2	176.9	-60.3	177.2	0	0	0	111.1	K290 A292 L295 V351	L275-K290 PolarHBondContact O-NZ 3.07Å; L275-A292 HydrophobicContact CD1-CB 3.59Å; L275-L295 HydrophobicContact CD1-CD1 4.08Å; L275-L295 HydrophobicContact CD2-CD1 4.32Å; L275-V351 HydrophobicContact CD2-CG1 3.98Å
276	A	90.8	Very high	86.2	Confident	28 Å²	28	65.3 Å²	65.3	23%	0.231	38%	0.381	C	S	.	.			trans	-71.9	148.3	173.6	0	0	0	0	0	110.9	A278 Y279 S280 T354	A276-A278 PolarHBondContact O-N 3.24Å; A276-A278 VanDerWaalsContact O-N 3.12Å; A276-Y279 PolarHBondContact O-N 2.87Å; A276-S280 PolarHBondContact O-N 2.89Å; A276-S280 PolarHBondContact O-OG 3.46Å; A276-T354 WeakPolarHBondContact CB-OG1 3.38Å
277	D	86.4	Confident	85.3	Confident	120 Å²	120	69.6 Å²	69.6	64%	0.642	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-59.7	-28.9	-175.3	-59.6	-14.7	0	0	0	112.6	Y279 S280 K290	D277-Y279 PolarHBondContact O-N 3.05Å; D277-S280 PolarHBondContact O-N 3.06Å; D277-K290 WeakPolarHBondContact OD1-CE 3.49Å; D277-K290 IonicContact OD1-NZ 3.64Å; D277-K290 PolarHBondContact OD1-NZ 3.12Å
278	A	88.3	Confident	84.2	Confident	87 Å²	87	72.8 Å²	72.8	72%	0.719	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.8	176.2	0	0	0	0	0	113.8	A276	A276-A278 PolarHBondContact O-N 3.24Å; A276-A278 VanDerWaalsContact O-N 3.12Å
279	Y	88.1	Confident	83.8	Confident	72 Å²	72	70.9 Å²	70.9	28%	0.282	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-119.5	7.9	-176.5	-58	-70.4	0	0	0	112.9	A276 D277 S294 V347 G350 V351 T354	A276-Y279 PolarHBondContact O-N 2.87Å; D277-Y279 PolarHBondContact O-N 3.05Å; Y279-S294 WeakPolarHBondContact O-CB 3.28Å; Y279-S294 PolarHBondContact O-OG 2.96Å; Y279-V347 HydrophobicContact CD1-CG1 4.34Å; Y279-G350 WeakPolarHBondContact CE2-O 3.44Å; Y279-G350 VanDerWaalsContact OH-CA 3.3Å; Y279-G350 WeakPolarHBondContact OH-CA 3.38Å; Y279-V351 HydrophobicContact CD1-CG2 4.08Å; Y279-V351 HydrophobicContact CD2-CG2 4.31Å; Y279-V351 HydrophobicContact CG-CG2 3.8Å; Y279-T354 WeakPolarHBondContact CD2-OG1 3.4Å; Y279-T354 HydrophobicContact CE2-CG2 4.22Å
280	S	85.8	Confident	83.4	Confident	13 Å²	13	67.2 Å²	67.2	9%	0.091	39%	0.393	C	S	.	.			trans	-131.5	142.1	178.4	67.6	0	0	0	0	110.6	A276 D277 N291	A276-S280 PolarHBondContact O-N 2.89Å; A276-S280 PolarHBondContact O-OG 3.46Å; D277-S280 PolarHBondContact O-N 3.06Å; S280-N291 VanDerWaalsContact CA-O 3.26Å; S280-N291 WeakPolarHBondContact CA-O 3.42Å; S280-N291 VanDerWaalsContact CB-O 3.24Å; S280-N291 WeakPolarHBondContact CB-O 3.47Å
281	T	82.5	Confident	83.2	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	148.1	170.8	68.2	0	0	0	0	111	K290 N291 D293	T281-K290 WeakPolarHBondContact O-CA 3.11Å; T281-N291 PolarHBondContact N-O 3.33Å; T281-N291 PolarHBondContact O-N 3.23Å; T281-N291 PolarHBondContact OG1-ND2 2.9Å; T281-D293 WeakPolarHBondContact CB-OD2 3.46Å; T281-D293 HydrophobicContact CG2-CB 4.26Å; T281-D293 WeakPolarHBondContact CG2-OD2 3.47Å; T281-D293 PolarHBondContact OG1-OD1 3.26Å; T281-D293 PolarHBondContact OG1-OD2 2.98Å
282	G	79.1	Confident	83.1	Confident	59 Å²	59	65.6 Å²	65.6	61%	0.608	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	159	177.4	0	0	0	0	0	112.1	K289	G282-K289 WeakPolarHBondContact CA-O 3.29Å
283	S	73.4	Confident	82.9	Confident	35 Å²	35	67.8 Å²	67.8	25%	0.245	40%	0.399	C	S	.	.			trans	-86.8	135.1	166.2	179.6	0	0	0	0	110.4	L285 M286	S283-L285 PolarHBondContact O-N 3.42Å; S283-L285 PolarHBondContact OG-N 3.05Å; S283-M286 PolarHBondContact O-N 3.46Å
284	S	70.8	Confident	82.8	Confident	128 Å²	128	68.1 Å²	68.1	90%	0.895	40%	0.401	S	S	*	.	S	Bend	trans	-62.1	-22.6	174.9	54.7	0	0	0	0	113.8
285	L	66.8	Low	82.9	Confident	153 Å²	153	65.8 Å²	65.8	80%	0.801	39%	0.387	S	S	*	.	S	Bend	trans	-98.8	-22.5	179.7	-67.8	170.8	0	0	0	113.5	S283	S283-L285 PolarHBondContact O-N 3.42Å; S283-L285 PolarHBondContact OG-N 3.05Å
286	M	74.9	Confident	83.1	Confident	78 Å²	78	69.8 Å²	69.8	38%	0.384	41%	0.405	S	S	.	.			trans	-129.4	92.6	-173.4	-67.1	-179.9	-73.7	0	0	110.4	S283 Q288 K289	S283-M286 PolarHBondContact O-N 3.46Å; M286-Q288 VanDerWaalsContact C-OE1 3.32Å; M286-Q288 PolarHBondContact O-N 3.43Å; M286-Q288 VanDerWaalsContact O-N 3.15Å; M286-K289 HydrophobicContact CB-CB 4Å; M286-K289 HydrophobicContact CE-CD 3.74Å; M286-K289 PolarHBondContact O-N 2.81Å; M286-K289 VanDerWaalsContact O-N 3.1Å
287	P	73.3	Confident	83.3	Confident	124 Å²	124	73.1 Å²	73.1	81%	0.805	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.9	-173.7	25.2	-34.2	0	0	0	113.9
288	Q	71.2	Confident	83.8	Confident	113 Å²	113	67.7 Å²	67.7	53%	0.528	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.6	178.5	75.8	-78.6	21.5	0	0	114.4	K268 M286	K268-Q288 PolarHBondContact NZ-O 2.63Å; M286-Q288 VanDerWaalsContact C-OE1 3.32Å; M286-Q288 PolarHBondContact O-N 3.43Å; M286-Q288 VanDerWaalsContact O-N 3.15Å
289	K	80.5	Confident	84.1	Confident	98 Å²	98	67.8 Å²	67.8	43%	0.426	37%	0.371	S	S	.	.			trans	-91.6	105.2	-177.4	-174.1	179.5	179.7	-176.6	0	109.1	G282 M286 N291	G282-K289 WeakPolarHBondContact CA-O 3.29Å; M286-K289 HydrophobicContact CB-CB 4Å; M286-K289 HydrophobicContact CE-CD 3.74Å; M286-K289 PolarHBondContact O-N 2.81Å; M286-K289 VanDerWaalsContact O-N 3.1Å; K289-N291 WeakPolarHBondContact CE-OD1 3.45Å
290	K	83.3	Confident	84.5	Confident	84 Å²	84	67.4 Å²	67.4	37%	0.365	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.7	170.1	-68.8	-173.1	170.1	-167.5	0	109	T274 L275 D277 T281	T274-K290 HydrophobicContact CG2-CD 4.4Å; L275-K290 PolarHBondContact O-NZ 3.07Å; D277-K290 WeakPolarHBondContact OD1-CE 3.49Å; D277-K290 IonicContact OD1-NZ 3.64Å; D277-K290 PolarHBondContact OD1-NZ 3.12Å; T281-K290 WeakPolarHBondContact O-CA 3.11Å
291	N	88.6	Confident	85	Confident	49 Å²	49	69.6 Å²	69.6	26%	0.262	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.5	176.4	-52.4	-39.2	0	0	0	109.1	S280 T281 K289 D293	S280-N291 VanDerWaalsContact CA-O 3.26Å; S280-N291 WeakPolarHBondContact CA-O 3.42Å; S280-N291 VanDerWaalsContact CB-O 3.24Å; S280-N291 WeakPolarHBondContact CB-O 3.47Å; T281-N291 PolarHBondContact N-O 3.33Å; T281-N291 PolarHBondContact O-N 3.23Å; T281-N291 PolarHBondContact OG1-ND2 2.9Å; K289-N291 WeakPolarHBondContact CE-OD1 3.45Å; N291-D293 WeakPolarHBondContact CB-OD1 3.25Å; N291-D293 PolarHBondContact O-N 3.22Å
292	A	90.4	Very high	85.6	Confident	7 Å²	7	67.3 Å²	67.3	6%	0.058	38%	0.375	C	S	.	.			trans	-89.1	47.2	-177.5	0	0	0	0	0	112.5	M263 L275 S294 L295 E296	M263-A292 HydrophobicContact CG-CB 4.01Å; L275-A292 HydrophobicContact CD1-CB 3.59Å; A292-S294 PolarHBondContact O-N 3.2Å; A292-S294 VanDerWaalsContact O-N 3.17Å; A292-L295 HydrophobicContact CB-CB 4.24Å; A292-L295 HydrophobicContact CB-CD1 4.08Å; A292-L295 HydrophobicContact CB-CG 4.4Å; A292-L295 WeakPolarHBondContact O-CA 3.28Å; A292-L295 WeakPolarHBondContact O-CB 3.4Å; A292-L295 PolarHBondContact O-N 3.35Å; A292-E296 PolarHBondContact O-N 3.46Å
293	D	90	Very high	86.3	Confident	51 Å²	51	67 Å²	67	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-54.5	-39.9	-171.8	-64	32.5	0	0	0	112.5	T281 N291 L295 E296 L297	T281-D293 WeakPolarHBondContact CB-OD2 3.46Å; T281-D293 HydrophobicContact CG2-CB 4.26Å; T281-D293 WeakPolarHBondContact CG2-OD2 3.47Å; T281-D293 PolarHBondContact OG1-OD1 3.26Å; T281-D293 PolarHBondContact OG1-OD2 2.98Å; N291-D293 WeakPolarHBondContact CB-OD1 3.25Å; N291-D293 PolarHBondContact O-N 3.22Å; D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 2.71Å; D293-E296 PolarHBondContact O-N 3.06Å; D293-L297 WeakPolarHBondContact O-CB 3.44Å; D293-L297 VanDerWaalsContact O-CG 3.23Å; D293-L297 WeakPolarHBondContact O-CG 3.24Å; D293-L297 PolarHBondContact O-N 3.03Å
294	S	92.9	Very high	87.2	Confident	11 Å²	11	71.1 Å²	71.1	8%	0.077	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-42.3	177.3	64.7	0	0	0	0	111.7	Y279 A292 I298 V351	Y279-S294 WeakPolarHBondContact O-CB 3.28Å; Y279-S294 PolarHBondContact O-OG 2.96Å; A292-S294 PolarHBondContact O-N 3.2Å; A292-S294 VanDerWaalsContact O-N 3.17Å; S294-I298 WeakPolarHBondContact O-CD1 3.43Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 3.18Å; S294-V351 WeakPolarHBondContact OG-CG2 3.49Å
295	L	93.8	Very high	88.4	Confident	3 Å²	3	65 Å²	65	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-73.2	-39.5	-179.4	-60.1	-179.7	0	0	0	111.5	A259 L262 M263 L275 A292 D293 L297 I298 R299 V351	A259-L295 HydrophobicContact CB-CB 4.1Å; A259-L295 HydrophobicContact CB-CD2 4.34Å; A259-L295 WeakPolarHBondContact CB-O 3.4Å; L262-L295 HydrophobicContact CB-CD1 3.4Å; L262-L295 HydrophobicContact CB-CD2 4.37Å; L262-L295 HydrophobicContact CD1-CD1 4.44Å; L262-L295 HydrophobicContact CD1-CD2 4.07Å; M263-L295 HydrophobicContact CG-CB 3.62Å; M263-L295 HydrophobicContact CG-CD1 3.99Å; M263-L295 HydrophobicContact CG-CG 4.47Å; M263-L295 HydrophobicContact SD-CB 4.2Å; L275-L295 HydrophobicContact CD1-CD1 4.08Å; L275-L295 HydrophobicContact CD2-CD1 4.32Å; A292-L295 HydrophobicContact CB-CB 4.24Å; A292-L295 HydrophobicContact CB-CD1 4.08Å; A292-L295 HydrophobicContact CB-CG 4.4Å; A292-L295 WeakPolarHBondContact O-CA 3.28Å; A292-L295 WeakPolarHBondContact O-CB 3.4Å; A292-L295 PolarHBondContact O-N 3.35Å; D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 2.71Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3.2Å; L295-I298 HydrophobicContact CD2-CD1 4.27Å; L295-I298 PolarHBondContact O-N 3.14Å; L295-R299 WeakPolarHBondContact O-CB 3.44Å; L295-R299 PolarHBondContact O-N 2.77Å; L295-V351 HydrophobicContact CD2-CG1 4.11Å
296	E	94.8	Very high	89.7	Confident	91 Å²	91	64 Å²	64	43%	0.425	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-42.3	173.7	-70.6	-175.8	162.4	0	0	111.6	M263 A292 D293 R299 S300	M263-E296 HydrophobicContact CE-CG 3.41Å; M263-E296 VanDerWaalsContact CE-CG 3.41Å; M263-E296 HydrophobicContact SD-CG 3.72Å; A292-E296 PolarHBondContact O-N 3.46Å; D293-E296 PolarHBondContact O-N 3.06Å; E296-R299 PolarHBondContact O-N 3.41Å; E296-S300 WeakPolarHBondContact O-CB 3.5Å; E296-S300 PolarHBondContact O-N 3.32Å; E296-S300 PolarHBondContact O-OG 3.44Å
297	L	95.6	Very high	90.6	Very high	99 Å²	99	62.2 Å²	62.2	52%	0.518	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.1	-73.7	173	0	0	0	111.1	D293 L295 R299 S300 K301	D293-L297 WeakPolarHBondContact O-CB 3.44Å; D293-L297 VanDerWaalsContact O-CG 3.23Å; D293-L297 WeakPolarHBondContact O-CG 3.24Å; D293-L297 PolarHBondContact O-N 3.03Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3.2Å; L297-R299 VanDerWaalsContact C-N 3.31Å; L297-R299 PolarHBondContact O-N 2.93Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 PolarHBondContact O-OG 2.84Å; L297-K301 VanDerWaalsContact O-CG 3.22Å; L297-K301 WeakPolarHBondContact O-CG 3.36Å; L297-K301 PolarHBondContact O-N 3.45Å
298	I	95.1	Very high	91.5	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-54.5	-48.7	175.6	-69.8	162.1	0	0	0	110.5	L255 A259 S294 L295 S300 K301 V344 V347 T348	L255-I298 HydrophobicContact CB-CG2 3.95Å; A259-I298 HydrophobicContact CB-CB 4.41Å; A259-I298 HydrophobicContact CB-CG2 4.18Å; S294-I298 WeakPolarHBondContact O-CD1 3.43Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 3.18Å; L295-I298 HydrophobicContact CD2-CD1 4.27Å; L295-I298 PolarHBondContact O-N 3.14Å; I298-S300 PolarHBondContact O-N 3.32Å; I298-K301 PolarHBondContact O-N 3.23Å; I298-V344 HydrophobicContact CB-CG1 4.49Å; I298-V344 HydrophobicContact CG1-CG1 4.06Å; I298-V344 HydrophobicContact CG1-CG2 4.38Å; I298-V344 HydrophobicContact CG2-CG1 3.95Å; I298-V347 HydrophobicContact CD1-CG1 4.23Å; I298-T348 VanDerWaalsContact CD1-OG1 3.32Å; I298-T348 WeakPolarHBondContact CD1-OG1 3.33Å
299	R	96.4	Very high	92.5	Very high	89 Å²	89	56 Å²	56	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-43.6	178.6	-175.1	173.7	64.8	173.8	-1.7	112.4	A259 E260 L295 E296 L297 K301 A302	A259-R299 HydrophobicContact CB-CB 4.36Å; E260-R299 IonicContact OE1-NH1 2.73Å; E260-R299 PolarHBondContact OE1-NH1 2.98Å; E260-R299 VanDerWaalsContact OE1-NH1 3.1Å; E260-R299 WeakPolarHBondContact OE2-CD 3.11Å; E260-R299 IonicContact OE2-CZ 3.05Å; E260-R299 IonicContact OE2-NE 3.49Å; E260-R299 IonicContact OE2-NH1 3.7Å; E260-R299 PolarHBondContact OE2-NH1 3.05Å; L295-R299 WeakPolarHBondContact O-CB 3.44Å; L295-R299 PolarHBondContact O-N 2.77Å; E296-R299 PolarHBondContact O-N 3.41Å; L297-R299 VanDerWaalsContact C-N 3.31Å; L297-R299 PolarHBondContact O-N 2.93Å; R299-K301 VanDerWaalsContact C-N 3.32Å; R299-K301 PolarHBondContact O-N 2.91Å; R299-A302 WeakPolarHBondContact O-CB 3.21Å; R299-A302 PolarHBondContact O-N 3.33Å
300	S	95.5	Very high	93.1	Very high	65 Å²	65	53.7 Å²	53.7	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-32.6	179.9	72.5	0	0	0	0	113.3	E296 L297 I298 A302 G303	E296-S300 WeakPolarHBondContact O-CB 3.5Å; E296-S300 PolarHBondContact O-N 3.32Å; E296-S300 PolarHBondContact O-OG 3.44Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 PolarHBondContact O-OG 2.84Å; I298-S300 PolarHBondContact O-N 3.32Å; S300-A302 VanDerWaalsContact C-N 3.27Å; S300-A302 PolarHBondContact O-N 3.3Å; S300-G303 PolarHBondContact O-N 3.28Å
301	K	95.8	Very high	93.6	Very high	58 Å²	58	51.6 Å²	51.6	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-70.3	-22.8	-177.9	-70.4	-68.6	179	-72.6	0	113	L297 I298 R299 G303 R304 V305 T340 V344	L297-K301 VanDerWaalsContact O-CG 3.22Å; L297-K301 WeakPolarHBondContact O-CG 3.36Å; L297-K301 PolarHBondContact O-N 3.45Å; I298-K301 PolarHBondContact O-N 3.23Å; R299-K301 VanDerWaalsContact C-N 3.32Å; R299-K301 PolarHBondContact O-N 2.91Å; K301-G303 VanDerWaalsContact C-N 3.29Å; K301-G303 PolarHBondContact O-N 3.12Å; K301-R304 PolarHBondContact O-N 3.33Å; K301-V305 PolarHBondContact O-N 3.04Å; K301-T340 HydrophobicContact CB-CG2 3.7Å; K301-T340 HydrophobicContact CD-CG2 3.78Å; K301-T340 HydrophobicContact CG-CG2 3.98Å; K301-V344 HydrophobicContact CB-CG2 4.24Å; K301-V344 HydrophobicContact CG-CG2 4.38Å
302	A	94.7	Very high	93.6	Very high	14 Å²	14	49.6 Å²	49.6	12%	0.116	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-41.4	172.9	0	0	0	0	0	112.3	L252 R299 S300 F306	L252-A302 HydrophobicContact CB-CB 3.95Å; R299-A302 WeakPolarHBondContact O-CB 3.21Å; R299-A302 PolarHBondContact O-N 3.33Å; S300-A302 VanDerWaalsContact C-N 3.27Å; S300-A302 PolarHBondContact O-N 3.3Å; A302-F306 WeakPolarHBondContact O-CB 3.4Å; A302-F306 PolarHBondContact O-N 3.21Å; A302-F306 VanDerWaalsContact O-N 3.1Å
303	G	93.9	Very high	93.6	Very high	51 Å²	51	53.8 Å²	53.8	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-38.3	177.4	0	0	0	0	0	113.5	S300 K301 G307	S300-G303 PolarHBondContact O-N 3.28Å; K301-G303 VanDerWaalsContact C-N 3.29Å; K301-G303 PolarHBondContact O-N 3.12Å; G303-G307 PolarHBondContact O-N 3.26Å
304	R	93.9	Very high	93.7	Very high	123 Å²	123	57.9 Å²	57.9	46%	0.464	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-49.5	177.4	-178.8	-179.3	-178.6	148.7	-5.7	111.3	K301 G307 R308 D336	K301-R304 PolarHBondContact O-N 3.33Å; R304-G307 PolarHBondContact O-N 2.74Å; R304-R308 PolarHBondContact O-N 2.96Å; R304-R308 VanDerWaalsContact O-N 3.11Å; R304-D336 IonicContact CZ-OD1 3.54Å; R304-D336 IonicContact CZ-OD2 3.96Å; R304-D336 IonicContact NE-OD1 3.45Å; R304-D336 PolarHBondContact NE-OD1 2.9Å; R304-D336 VanDerWaalsContact NE-OD1 3.09Å; R304-D336 IonicContact NE-OD2 3.96Å; R304-D336 PolarHBondContact NE-OD2 2.89Å; R304-D336 IonicContact NH2-OD1 2.99Å; R304-D336 PolarHBondContact NH2-OD1 3.31Å; R304-D336 IonicContact NH2-OD2 3.69Å; R304-D336 PolarHBondContact NH2-OD2 3.03Å
305	V	94.2	Very high	93.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-42.5	-177.6	170.3	0	0	0	0	111.6	A248 L252 K301 G307 R308 C309 T340	A248-V305 HydrophobicContact CB-CG1 3.68Å; L252-V305 HydrophobicContact CD1-CB 3.69Å; L252-V305 HydrophobicContact CD1-CG1 4.16Å; L252-V305 HydrophobicContact CD1-CG2 3.34Å; K301-V305 PolarHBondContact O-N 3.04Å; V305-G307 VanDerWaalsContact C-N 3.29Å; V305-G307 PolarHBondContact O-N 2.84Å; V305-R308 PolarHBondContact O-N 3.35Å; V305-C309 PolarHBondContact O-N 3.04Å; V305-T340 HydrophobicContact CG2-CG2 3.77Å
306	F	95.2	Very high	93.4	Very high	130 Å²	130	61.2 Å²	61.2	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-61.7	-38.5	173.9	179.7	-106.7	0	0	0	112.2	S249 A302 R308 C309 A310	S249-F306 WeakPolarHBondContact OG-CA 3.49Å; A302-F306 WeakPolarHBondContact O-CB 3.4Å; A302-F306 PolarHBondContact O-N 3.21Å; A302-F306 VanDerWaalsContact O-N 3.1Å; F306-R308 VanDerWaalsContact C-N 3.35Å; F306-R308 PolarHBondContact O-N 3.28Å; F306-C309 WeakPolarHBondContact O-CB 3.34Å; F306-C309 PolarHBondContact O-N 2.94Å; F306-A310 WeakPolarHBondContact O-CB 3.32Å; F306-A310 PolarHBondContact O-N 3.39Å
307	G	94.6	Very high	93.3	Very high	41 Å²	41	64.4 Å²	64.4	42%	0.423	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-41.1	174.7	0	0	0	0	0	113.2	G303 R304 V305 A310 G311	G303-G307 PolarHBondContact O-N 3.26Å; R304-G307 PolarHBondContact O-N 2.74Å; V305-G307 VanDerWaalsContact C-N 3.29Å; V305-G307 PolarHBondContact O-N 2.84Å; G307-A310 PolarHBondContact O-N 3.02Å; G307-G311 PolarHBondContact O-N 3.37Å
308	R	91.9	Very high	93.2	Very high	97 Å²	97	63.2 Å²	63.2	37%	0.366	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-45.2	173.7	-66.6	-61.1	-172	-179.9	2.6	111.8	R304 V305 F306 A310 G311 F312 A333 D336	R304-R308 PolarHBondContact O-N 2.96Å; R304-R308 VanDerWaalsContact O-N 3.11Å; V305-R308 PolarHBondContact O-N 3.35Å; F306-R308 VanDerWaalsContact C-N 3.35Å; F306-R308 PolarHBondContact O-N 3.28Å; R308-A310 PolarHBondContact O-N 3.36Å; R308-G311 PolarHBondContact O-N 3.44Å; R308-F312 WeakPolarHBondContact O-CB 3.36Å; R308-F312 PolarHBondContact O-N 3.12Å; R308-A333 HydrophobicContact CB-CB 4.45Å; R308-D336 IonicContact CZ-OD2 2.87Å; R308-D336 IonicContact NE-OD2 2.77Å; R308-D336 PolarHBondContact NE-OD2 3.39Å; R308-D336 IonicContact NH2-OD2 3.27Å; R308-D336 PolarHBondContact NH2-OD2 3.15Å
309	C	92	Very high	93.1	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-49.1	175.3	-175.6	0	0	0	0	111.6	L245 V305 F306 M313	L245-C309 HydrophobicContact CB-CB 3.87Å; V305-C309 PolarHBondContact O-N 3.04Å; F306-C309 WeakPolarHBondContact O-CB 3.34Å; F306-C309 PolarHBondContact O-N 2.94Å; C309-M313 WeakPolarHBondContact O-CB 3.44Å; C309-M313 WeakPolarHBondContact O-CG 3.17Å; C309-M313 PolarHBondContact O-N 3.38Å
310	A	93.5	Very high	93	Very high	48 Å²	48	65 Å²	65	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-43.2	-179.5	0	0	0	0	0	112.7	F306 G307 R308 M314	F306-A310 WeakPolarHBondContact O-CB 3.32Å; F306-A310 PolarHBondContact O-N 3.39Å; G307-A310 PolarHBondContact O-N 3.02Å; R308-A310 PolarHBondContact O-N 3.36Å; A310-M314 PolarHBondContact O-N 2.99Å
311	G	92	Very high	92.9	Very high	40 Å²	40	67.3 Å²	67.3	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-180	0	0	0	0	0	112.2	G307 R308 M314 T315	G307-G311 PolarHBondContact O-N 3.37Å; R308-G311 PolarHBondContact O-N 3.44Å; G311-M314 PolarHBondContact O-N 3.16Å; G311-T315 PolarHBondContact O-N 3.27Å; G311-T315 PolarHBondContact O-OG1 2.94Å
312	F	88.6	Confident	92.5	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-72.5	-40.6	179.3	-160.1	-69.5	0	0	0	112.1	E241 L245 R308 M314 T315 L316 E329 D330 A333	E241-F312 HydrophobicContact CB-CD1 4.15Å; E241-F312 HydrophobicContact CB-CE1 4.38Å; E241-F312 HydrophobicContact CG-CB 4.34Å; E241-F312 HydrophobicContact CG-CD1 2.87Å; E241-F312 HydrophobicContact CG-CE1 3.06Å; E241-F312 HydrophobicContact CG-CG 3.65Å; E241-F312 HydrophobicContact CG-CZ 3.98Å; E241-F312 WeakPolarHBondContact OE1-CE1 3.48Å; E241-F312 VanDerWaalsContact OE1-CZ 3.22Å; E241-F312 WeakPolarHBondContact OE1-CZ 3.36Å; E241-F312 WeakPolarHBondContact OE2-CE1 3.32Å; L245-F312 HydrophobicContact CD1-CB 4.26Å; R308-F312 WeakPolarHBondContact O-CB 3.36Å; R308-F312 PolarHBondContact O-N 3.12Å; F312-M314 PolarHBondContact O-N 3.5Å; F312-M314 VanDerWaalsContact O-N 3.07Å; F312-T315 WeakPolarHBondContact O-CA 3.25Å; F312-T315 VanDerWaalsContact O-CB 3.28Å; F312-T315 WeakPolarHBondContact O-CB 3.32Å; F312-T315 PolarHBondContact O-N 3.08Å; F312-L316 HydrophobicContact CD1-CD1 4.28Å; F312-L316 HydrophobicContact CD1-CG 3.95Å; F312-L316 HydrophobicContact CE1-CD1 3.99Å; F312-L316 HydrophobicContact CE1-CD2 3.64Å; F312-L316 HydrophobicContact CE1-CG 3.48Å; F312-L316 VanDerWaalsContact CE1-CG 3.48Å; F312-L316 HydrophobicContact CZ-CD2 4.33Å; F312-L316 PolarHBondContact O-N 3.12Å; F312-L316 VanDerWaalsContact O-N 3.12Å; F312-E329 HydrophobicContact CD2-CB 4.14Å; F312-E329 HydrophobicContact CE2-CB 3.75Å; F312-D330 HydrophobicContact CE2-CB 3.73Å; F312-D330 HydrophobicContact CZ-CB 3.72Å; F312-A333 HydrophobicContact CD2-CB 4.4Å
313	M	90.6	Very high	92.4	Very high	96 Å²	96	67.9 Å²	67.9	47%	0.473	40%	0.396	S	S	.	.	H	α-helix	trans	-52.8	-33.6	173	-79	-69.4	-65.1	0	0	112.5	C309 K317	C309-M313 WeakPolarHBondContact O-CB 3.44Å; C309-M313 WeakPolarHBondContact O-CG 3.17Å; C309-M313 PolarHBondContact O-N 3.38Å; M313-K317 PolarHBondContact O-N 2.94Å
314	M	93.4	Very high	92.3	Very high	136 Å²	136	67.3 Å²	67.3	67%	0.67	38%	0.381	S	S	*	.	H	α-helix	trans	-73.9	-30.6	174.2	-169.8	64.4	88.2	0	0	113.1	A310 G311 F312 K317	A310-M314 PolarHBondContact O-N 2.99Å; G311-M314 PolarHBondContact O-N 3.16Å; F312-M314 PolarHBondContact O-N 3.5Å; F312-M314 VanDerWaalsContact O-N 3.07Å; M314-K317 PolarHBondContact O-N 3.08Å; M314-K317 HydrophobicContact SD-CD 4.17Å
315	T	91.8	Very high	92.1	Very high	44 Å²	44	65.7 Å²	65.7	27%	0.27	38%	0.377	S	S	.	.	H	α-helix	trans	-65.8	-39.3	175.4	-56.6	0	0	0	0	111.4	G311 F312 K317 L319 D326	G311-T315 PolarHBondContact O-N 3.27Å; G311-T315 PolarHBondContact O-OG1 2.94Å; F312-T315 WeakPolarHBondContact O-CA 3.25Å; F312-T315 VanDerWaalsContact O-CB 3.28Å; F312-T315 WeakPolarHBondContact O-CB 3.32Å; F312-T315 PolarHBondContact O-N 3.08Å; T315-K317 VanDerWaalsContact C-N 3.31Å; T315-K317 PolarHBondContact O-N 3.38Å; T315-L319 WeakPolarHBondContact O-CG 3.49Å; T315-D326 HydrophobicContact CG2-CB 4.16Å
316	L	89.1	Confident	92	Very high	41 Å²	41	69.5 Å²	69.5	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-69.8	-27.7	175.5	-68.8	179.3	0	0	0	114.2	E241 F312 G318 L319 L327	E241-L316 HydrophobicContact CB-CD1 4.03Å; E241-L316 HydrophobicContact CG-CD1 4.02Å; E241-L316 WeakPolarHBondContact OE2-CD1 3.22Å; F312-L316 HydrophobicContact CD1-CD1 4.28Å; F312-L316 HydrophobicContact CD1-CG 3.95Å; F312-L316 HydrophobicContact CE1-CD1 3.99Å; F312-L316 HydrophobicContact CE1-CD2 3.64Å; F312-L316 HydrophobicContact CE1-CG 3.48Å; F312-L316 VanDerWaalsContact CE1-CG 3.48Å; F312-L316 HydrophobicContact CZ-CD2 4.33Å; F312-L316 PolarHBondContact O-N 3.12Å; F312-L316 VanDerWaalsContact O-N 3.12Å; L316-G318 PolarHBondContact O-N 2.77Å; L316-L319 HydrophobicContact CD2-CD1 4.13Å; L316-L319 PolarHBondContact O-N 2.72Å; L316-L327 HydrophobicContact CD2-CD2 3.71Å
317	K	92.6	Very high	91.7	Very high	157 Å²	157	63.4 Å²	63.4	68%	0.683	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	113	-167.2	176.8	-104.8	172.9	-172.3	0	110.6	M313 M314 T315	M313-K317 PolarHBondContact O-N 2.94Å; M314-K317 PolarHBondContact O-N 3.08Å; M314-K317 HydrophobicContact SD-CD 4.17Å; T315-K317 VanDerWaalsContact C-N 3.31Å; T315-K317 PolarHBondContact O-N 3.38Å
318	G	93.3	Very high	91.5	Very high	74 Å²	74	62.3 Å²	62.3	76%	0.763	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	16.9	175.1	0	0	0	0	0	114.6	L316	L316-G318 PolarHBondContact O-N 2.77Å
319	L	93.2	Very high	91.4	Very high	50 Å²	50	62.1 Å²	62.1	26%	0.262	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62.1	132.9	170.2	-69	179.5	0	0	0	110.4	T315 L316 N324 D326 L327	T315-L319 WeakPolarHBondContact O-CG 3.49Å; L316-L319 HydrophobicContact CD2-CD1 4.13Å; L316-L319 PolarHBondContact O-N 2.72Å; L319-N324 HydrophobicContact CD2-CB 4.49Å; L319-D326 HydrophobicContact CD1-CB 4.29Å; L319-D326 HydrophobicContact CD2-CB 3.85Å; L319-L327 HydrophobicContact CD1-CD2 3.73Å; L319-L327 HydrophobicContact CD1-CG 4.39Å
320	P	93.8	Very high	91.2	Very high	83 Å²	83	61.6 Å²	61.6	54%	0.539	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-69.9	156.8	171.2	31.6	-34.4	0	0	0	110	N324	P320-N324 PolarHBondContact O-OD1 2.79Å
321	S	91.9	Very high	91.1	Very high	112 Å²	112	59.7 Å²	59.7	78%	0.783	34%	0.337	S	S	*	.	S	Bend	trans	-70.1	145.9	174.2	-52.9	0	0	0	0	111.4
322	A	88.6	Confident	91	Very high	15 Å²	15	61.2 Å²	61.2	12%	0.124	33%	0.334	C	S	.	.	S	Bend	cis	-115.1	-70.9	1.6	0	0	0	0	0	112.5	I205 M231 G235	I205-A322 HydrophobicContact CD1-CB 4.07Å; I205-A322 HydrophobicContact CG1-CB 4.19Å; M231-A322 HydrophobicContact CB-CB 4.28Å; M231-A322 HydrophobicContact CE-CB 4.47Å; G235-A322 WeakPolarHBondContact CA-O 3.36Å
323	Y	92.4	Very high	91.1	Very high	70 Å²	70	61.2 Å²	61.2	28%	0.275	34%	0.335	S	S	.	.			trans	-92.1	129.8	174.5	176.7	-89.7	0	0	0	110.7	N115 L327	N115-Y323 HydrophobicContact CB-CD2 4.41Å; N115-Y323 HydrophobicContact CB-CG 4.47Å; Y323-L327 HydrophobicContact CD2-CD1 3.97Å; Y323-L327 HydrophobicContact CE2-CB 4.35Å; Y323-L327 HydrophobicContact CE2-CD1 4.48Å
324	N	91.5	Very high	91.1	Very high	39 Å²	39	56.6 Å²	56.6	21%	0.209	31%	0.312	C	S	.	.			trans	-126.7	151.4	174.6	-71.4	76.8	0	0	0	109.6	L319 P320 D326 L327	L319-N324 HydrophobicContact CD2-CB 4.49Å; P320-N324 PolarHBondContact O-OD1 2.79Å; N324-D326 PolarHBondContact O-N 3.34Å; N324-L327 VanDerWaalsContact O-CB 3.29Å; N324-L327 WeakPolarHBondContact O-CB 3.38Å; N324-L327 WeakPolarHBondContact O-CG 3.38Å; N324-L327 PolarHBondContact O-N 2.97Å
325	K	89.9	Confident	91.1	Very high	88 Å²	88	50.5 Å²	50.5	38%	0.383	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.8	-177.6	-163.1	61.4	161.4	158.3	0	112.2	N26 L327 Q328	N26-K325 WeakPolarHBondContact OD1-CE 3.4Å; N26-K325 PolarHBondContact OD1-NZ 3.27Å; K325-L327 PolarHBondContact O-N 2.87Å; K325-L327 VanDerWaalsContact O-N 3.16Å; K325-Q328 WeakPolarHBondContact O-CB 3.49Å; K325-Q328 PolarHBondContact O-N 2.96Å
326	D	91.4	Very high	91.1	Very high	80 Å²	80	49.4 Å²	49.4	43%	0.428	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-51.5	-31.4	169.4	-49.4	-111.5	0	0	0	112.2	T315 L319 N324 Q328 E329	T315-D326 HydrophobicContact CG2-CB 4.16Å; L319-D326 HydrophobicContact CD1-CB 4.29Å; L319-D326 HydrophobicContact CD2-CB 3.85Å; N324-D326 PolarHBondContact O-N 3.34Å; D326-Q328 PolarHBondContact O-N 2.77Å; D326-E329 PolarHBondContact O-N 2.73Å
327	L	90.4	Very high	91.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-71.1	5.9	176.5	-56.5	177.3	0	0	0	113.6	R237 L316 L319 Y323 N324 K325	R237-L327 HydrophobicContact CG-CD2 4Å; L316-L327 HydrophobicContact CD2-CD2 3.71Å; L319-L327 HydrophobicContact CD1-CD2 3.73Å; L319-L327 HydrophobicContact CD1-CG 4.39Å; Y323-L327 HydrophobicContact CD2-CD1 3.97Å; Y323-L327 HydrophobicContact CE2-CB 4.35Å; Y323-L327 HydrophobicContact CE2-CD1 4.48Å; N324-L327 VanDerWaalsContact O-CB 3.29Å; N324-L327 WeakPolarHBondContact O-CB 3.38Å; N324-L327 WeakPolarHBondContact O-CG 3.38Å; N324-L327 PolarHBondContact O-N 2.97Å; K325-L327 PolarHBondContact O-N 2.87Å; K325-L327 VanDerWaalsContact O-N 3.16Å
328	Q	89.7	Confident	91.4	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.084	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-80.4	-24.5	172.9	-175.4	168.7	-9.4	0	0	112.5	N26 Y31 K325 D326 D330	N26-Q328 PolarHBondContact O-NE2 3.47Å; Y31-Q328 PolarHBondContact OH-NE2 2.76Å; K325-Q328 WeakPolarHBondContact O-CB 3.49Å; K325-Q328 PolarHBondContact O-N 2.96Å; D326-Q328 PolarHBondContact O-N 2.77Å; Q328-D330 PolarHBondContact O-N 3.37Å; Q328-D330 VanDerWaalsContact O-N 3.1Å
329	E	89.4	Confident	91.5	Very high	93 Å²	93	41.1 Å²	41.1	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.2	-179.5	-69.8	-70.4	134.9	0	0	113.5	F312 D326	F312-E329 HydrophobicContact CD2-CB 4.14Å; F312-E329 HydrophobicContact CE2-CB 3.75Å; D326-E329 PolarHBondContact O-N 2.73Å
330	D	89	Confident	91.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-40.5	-171.5	55.8	0.5	0	0	0	111.4	M122 R237 E241 F312 Q328 M334	M122-D330 HydrophobicContact CE-CB 3.91Å; M122-D330 VanDerWaalsContact CE-CG 3.42Å; M122-D330 WeakPolarHBondContact CE-OD2 3.38Å; R237-D330 WeakPolarHBondContact CD-OD2 3.45Å; R237-D330 IonicContact CZ-OD2 3.18Å; R237-D330 IonicContact NE-OD2 2.73Å; R237-D330 PolarHBondContact NE-OD2 2.85Å; R237-D330 IonicContact NH2-OD2 3.37Å; E241-D330 VanDerWaalsContact OE1-CB 3.31Å; E241-D330 WeakPolarHBondContact OE1-CB 3.33Å; F312-D330 HydrophobicContact CE2-CB 3.73Å; F312-D330 HydrophobicContact CZ-CB 3.72Å; Q328-D330 PolarHBondContact O-N 3.37Å; Q328-D330 VanDerWaalsContact O-N 3.1Å; D330-M334 VanDerWaalsContact O-CB 3.26Å; D330-M334 WeakPolarHBondContact O-CB 3.43Å; D330-M334 PolarHBondContact O-N 2.87Å
331	K	89.9	Confident	91.7	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-49.6	-176	-70.3	148	-162.5	54	0	112	Y31 D32 M35 M122 A333 M334 F335	Y31-K331 HydrophobicContact CD2-CB 4.1Å; Y31-K331 HydrophobicContact CE2-CB 4.15Å; Y31-K331 HydrophobicContact CE2-CD 4.12Å; D32-K331 HydrophobicContact CB-CD 4.47Å; M35-K331 HydrophobicContact CE-CD 4.01Å; M35-K331 HydrophobicContact CE-CG 4.1Å; M122-K331 HydrophobicContact CE-CG 4.42Å; M122-K331 HydrophobicContact CG-CG 4.46Å; M122-K331 HydrophobicContact SD-CG 3.98Å; M122-K331 PolarHBondContact SD-NZ 3.19Å; K331-A333 PolarHBondContact O-N 2.66Å; K331-M334 PolarHBondContact O-N 3.45Å; K331-F335 HydrophobicContact CB-CD2 4.2Å; K331-F335 HydrophobicContact CB-CE2 3.78Å; K331-F335 HydrophobicContact CB-CZ 4.36Å; K331-F335 HydrophobicContact CG-CE2 4.39Å; K331-F335 VanDerWaalsContact O-CB 3.3Å; K331-F335 WeakPolarHBondContact O-CB 3.08Å; K331-F335 WeakPolarHBondContact O-CD2 3.48Å; K331-F335 WeakPolarHBondContact O-CG 3Å; K331-F335 PolarHBondContact O-N 3.27Å
332	E	90.5	Very high	91.9	Very high	72 Å²	72	31.9 Å²	31.9	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-63.3	-43.8	-177.1	-69.8	-171.2	-116.8	0	0	111.4	Y31 D336	Y31-E332 HydrophobicContact CD1-CG 4Å; Y31-E332 HydrophobicContact CD2-CG 4.12Å; Y31-E332 HydrophobicContact CE1-CG 4.11Å; Y31-E332 HydrophobicContact CE2-CG 4.25Å; Y31-E332 HydrophobicContact CG-CG 4Å; E332-D336 WeakPolarHBondContact O-CB 3.22Å; E332-D336 PolarHBondContact O-N 3Å
333	A	90.5	Very high	92.2	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-46.5	175.5	0	0	0	0	0	111.5	L245 R308 F312 K331 C337	L245-A333 HydrophobicContact CD1-CB 4.37Å; R308-A333 HydrophobicContact CB-CB 4.45Å; F312-A333 HydrophobicContact CD2-CB 4.4Å; K331-A333 PolarHBondContact O-N 2.66Å; A333-C337 VanDerWaalsContact O-CB 3.31Å; A333-C337 WeakPolarHBondContact O-CB 3.44Å; A333-C337 PolarHBondContact O-N 3.5Å; A333-C337 VanDerWaalsContact O-N 3.08Å; A333-C337 PolarHBondContact O-SG 2.93Å; A333-C337 VanDerWaalsContact O-SG 3.37Å
334	M	90.9	Very high	92.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-50.1	178.9	-176	179.4	64.8	0	0	112.1	M122 W125 L126 V240 D330 K331 C337 Y338	M122-M334 HydrophobicContact CE-CE 4.06Å; M122-M334 HydrophobicContact CE-SD 4.21Å; M122-M334 HydrophobicContact CG-CE 4.35Å; W125-M334 HydrophobicContact CD2-CE 4.37Å; W125-M334 HydrophobicContact CE3-CE 3.57Å; W125-M334 HydrophobicContact CE3-CG 4.49Å; W125-M334 HydrophobicContact CE3-SD 3.98Å; W125-M334 HydrophobicContact CZ3-CE 3.87Å; W125-M334 HydrophobicContact CZ3-CG 3.95Å; W125-M334 HydrophobicContact CZ3-SD 4.04Å; L126-M334 HydrophobicContact CB-SD 4.15Å; L126-M334 HydrophobicContact CD1-CG 4.39Å; L126-M334 HydrophobicContact CD1-SD 4.18Å; L126-M334 HydrophobicContact CD2-SD 4.38Å; L126-M334 HydrophobicContact CG-SD 4.46Å; V240-M334 HydrophobicContact CG1-CB 3.79Å; V240-M334 HydrophobicContact CG1-CG 4.01Å; V240-M334 HydrophobicContact CG1-SD 3.95Å; V240-M334 HydrophobicContact CG2-SD 3.89Å; D330-M334 VanDerWaalsContact O-CB 3.26Å; D330-M334 WeakPolarHBondContact O-CB 3.43Å; D330-M334 PolarHBondContact O-N 2.87Å; K331-M334 PolarHBondContact O-N 3.45Å; M334-C337 PolarHBondContact O-N 3.25Å; M334-Y338 WeakPolarHBondContact O-CB 3.46Å; M334-Y338 PolarHBondContact O-N 3.47Å
335	F	92.6	Very high	92.6	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-46.1	-178.5	-68.8	-27.5	0	0	0	112.3	Y31 R34 M35 W125 K331 C337 Y338 D339	Y31-F335 WeakPolarHBondContact O-CE2 3.39Å; R34-F335 HydrophobicContact CB-CE1 4.34Å; R34-F335 HydrophobicContact CB-CE2 4.37Å; R34-F335 HydrophobicContact CB-CZ 4.11Å; M35-F335 HydrophobicContact CE-CZ 4.5Å; M35-F335 HydrophobicContact CG-CE1 4.34Å; M35-F335 HydrophobicContact CG-CZ 3.73Å; M35-F335 HydrophobicContact SD-CZ 3.98Å; W125-F335 HydrophobicContact CD2-CD1 4.32Å; W125-F335 AromaticContact CD2-CE1 3.72Å; W125-F335 HydrophobicContact CD2-CE1 3.72Å; W125-F335 AromaticContact CE2-CD1 3.97Å; W125-F335 AromaticContact CE2-CE1 3.61Å; W125-F335 HydrophobicContact CE3-CD1 4.24Å; W125-F335 AromaticContact CE3-CE1 3.89Å; W125-F335 HydrophobicContact CE3-CE1 3.89Å; W125-F335 HydrophobicContact CG-CE1 4.37Å; W125-F335 AromaticContact CH2-CD1 3.51Å; W125-F335 HydrophobicContact CH2-CD1 3.51Å; W125-F335 AromaticContact CH2-CE1 3.92Å; W125-F335 HydrophobicContact CH2-CE1 3.92Å; W125-F335 AromaticContact CZ2-CD1 3.57Å; W125-F335 HydrophobicContact CZ2-CD1 3.57Å; W125-F335 AromaticContact CZ2-CE1 3.73Å; W125-F335 HydrophobicContact CZ2-CE1 3.73Å; W125-F335 AromaticContact CZ3-CD1 3.85Å; W125-F335 HydrophobicContact CZ3-CD1 3.85Å; W125-F335 AromaticContact CZ3-CE1 3.99Å; W125-F335 HydrophobicContact CZ3-CE1 3.99Å; K331-F335 HydrophobicContact CB-CD2 4.2Å; K331-F335 HydrophobicContact CB-CE2 3.78Å; K331-F335 HydrophobicContact CB-CZ 4.36Å; K331-F335 HydrophobicContact CG-CE2 4.39Å; K331-F335 VanDerWaalsContact O-CB 3.3Å; K331-F335 WeakPolarHBondContact O-CB 3.08Å; K331-F335 WeakPolarHBondContact O-CD2 3.48Å; K331-F335 WeakPolarHBondContact O-CG 3Å; K331-F335 PolarHBondContact O-N 3.27Å; F335-C337 VanDerWaalsContact C-N 3.33Å; F335-C337 PolarHBondContact O-N 2.94Å; F335-Y338 PolarHBondContact O-N 3.47Å; F335-D339 VanDerWaalsContact O-CG 3.3Å; F335-D339 PolarHBondContact O-N 3.34Å
336	D	92.9	Very high	92.9	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-42.5	178.8	-172.5	37.9	0	0	0	111.9	R304 R308 E332 T340	R304-D336 IonicContact CZ-OD1 3.54Å; R304-D336 IonicContact CZ-OD2 3.96Å; R304-D336 IonicContact NE-OD1 3.45Å; R304-D336 PolarHBondContact NE-OD1 2.9Å; R304-D336 VanDerWaalsContact NE-OD1 3.09Å; R304-D336 IonicContact NE-OD2 3.96Å; R304-D336 PolarHBondContact NE-OD2 2.89Å; R304-D336 IonicContact NH2-OD1 2.99Å; R304-D336 PolarHBondContact NH2-OD1 3.31Å; R304-D336 IonicContact NH2-OD2 3.69Å; R304-D336 PolarHBondContact NH2-OD2 3.03Å; R308-D336 IonicContact CZ-OD2 2.87Å; R308-D336 IonicContact NE-OD2 2.77Å; R308-D336 PolarHBondContact NE-OD2 3.39Å; R308-D336 IonicContact NH2-OD2 3.27Å; R308-D336 PolarHBondContact NH2-OD2 3.15Å; E332-D336 WeakPolarHBondContact O-CB 3.22Å; E332-D336 PolarHBondContact O-N 3Å; D336-T340 VanDerWaalsContact O-CB 3.25Å; D336-T340 WeakPolarHBondContact O-CB 3.2Å; D336-T340 PolarHBondContact O-N 3Å; D336-T340 VanDerWaalsContact O-N 3.09Å; D336-T340 PolarHBondContact O-OG1 3.07Å
337	C	93.2	Very high	93.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-44.4	177.2	-76.5	0	0	0	0	112.2	F244 L245 A333 M334 F335 T340 V341	F244-C337 HydrophobicContact CE1-CB 4.34Å; L245-C337 HydrophobicContact CD2-CB 3.66Å; L245-C337 WeakPolarHBondContact CD2-SG 3.44Å; A333-C337 VanDerWaalsContact O-CB 3.31Å; A333-C337 WeakPolarHBondContact O-CB 3.44Å; A333-C337 PolarHBondContact O-N 3.5Å; A333-C337 VanDerWaalsContact O-N 3.08Å; A333-C337 PolarHBondContact O-SG 2.93Å; A333-C337 VanDerWaalsContact O-SG 3.37Å; M334-C337 PolarHBondContact O-N 3.25Å; F335-C337 VanDerWaalsContact C-N 3.33Å; F335-C337 PolarHBondContact O-N 2.94Å; C337-T340 PolarHBondContact O-N 3.12Å; C337-V341 VanDerWaalsContact O-CG2 3.32Å; C337-V341 WeakPolarHBondContact O-CG2 3.5Å; C337-V341 PolarHBondContact O-N 2.89Å
338	Y	94.4	Very high	93.4	Very high	28 Å²	28	27.5 Å²	27.5	11%	0.11	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-52.9	175.7	169.8	-97.9	0	0	0	111.7	W125 A129 L133 M334 F335 T340 V341 H342	W125-Y338 AromaticContact CH2-CD1 3.61Å; W125-Y338 HydrophobicContact CH2-CD1 3.61Å; W125-Y338 HydrophobicContact CH2-CD2 4.19Å; W125-Y338 HydrophobicContact CH2-CE1 4.29Å; W125-Y338 AromaticContact CH2-CG 3.55Å; W125-Y338 HydrophobicContact CH2-CG 3.55Å; W125-Y338 AromaticContact CZ2-CD1 3.96Å; W125-Y338 HydrophobicContact CZ2-CD1 3.96Å; W125-Y338 HydrophobicContact CZ2-CE1 4.3Å; W125-Y338 HydrophobicContact CZ2-CG 4.34Å; W125-Y338 HydrophobicContact CZ3-CG 4.34Å; A129-Y338 HydrophobicContact CB-CD2 3.57Å; A129-Y338 HydrophobicContact CB-CE2 3.46Å; A129-Y338 VanDerWaalsContact CB-CE2 3.46Å; A129-Y338 HydrophobicContact CB-CG 4.38Å; L133-Y338 HydrophobicContact CD1-CD2 3.71Å; L133-Y338 HydrophobicContact CD1-CE2 4.1Å; L133-Y338 HydrophobicContact CD2-CD2 4.24Å; L133-Y338 HydrophobicContact CD2-CE2 4.13Å; L133-Y338 HydrophobicContact CG-CD2 3.93Å; L133-Y338 HydrophobicContact CG-CE2 3.8Å; M334-Y338 WeakPolarHBondContact O-CB 3.46Å; M334-Y338 PolarHBondContact O-N 3.47Å; F335-Y338 PolarHBondContact O-N 3.47Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.32Å; Y338-V341 PolarHBondContact O-N 3.13Å; Y338-H342 WeakPolarHBondContact O-CB 3.41Å; Y338-H342 PolarHBondContact O-N 3.35Å
339	D	95.3	Very high	93.7	Very high	69 Å²	69	27.2 Å²	27.2	37%	0.369	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-39.8	-177.4	-68.6	-21.2	0	0	0	111.3	R34 F335 A343	R34-D339 IonicContact CZ-OD1 2.81Å; R34-D339 IonicContact CZ-OD2 2.77Å; R34-D339 VanDerWaalsContact NH1-CG 3.3Å; R34-D339 IonicContact NH1-OD1 3.67Å; R34-D339 PolarHBondContact NH1-OD1 2.93Å; R34-D339 IonicContact NH1-OD2 2.72Å; R34-D339 PolarHBondContact NH1-OD2 3.21Å; R34-D339 IonicContact NH2-OD1 3.03Å; R34-D339 PolarHBondContact NH2-OD1 3.01Å; R34-D339 IonicContact NH2-OD2 3.9Å; F335-D339 VanDerWaalsContact O-CG 3.3Å; F335-D339 PolarHBondContact O-N 3.34Å; D339-A343 WeakPolarHBondContact O-CB 3.45Å; D339-A343 PolarHBondContact O-N 2.84Å
340	T	95.8	Very high	93.9	Very high	12 Å²	12	23.3 Å²	23.3	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-51.3	177.7	-64.6	0	0	0	0	111.7	L252 K301 V305 D336 C337 Y338 A343 V344	L252-T340 HydrophobicContact CD1-CG2 4.18Å; K301-T340 HydrophobicContact CB-CG2 3.7Å; K301-T340 HydrophobicContact CD-CG2 3.78Å; K301-T340 HydrophobicContact CG-CG2 3.98Å; V305-T340 HydrophobicContact CG2-CG2 3.77Å; D336-T340 VanDerWaalsContact O-CB 3.25Å; D336-T340 WeakPolarHBondContact O-CB 3.2Å; D336-T340 PolarHBondContact O-N 3Å; D336-T340 VanDerWaalsContact O-N 3.09Å; D336-T340 PolarHBondContact O-OG1 3.07Å; C337-T340 PolarHBondContact O-N 3.12Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.32Å; T340-A343 PolarHBondContact O-N 3.25Å; T340-V344 HydrophobicContact CG2-CG2 4.46Å; T340-V344 WeakPolarHBondContact O-CB 3.23Å; T340-V344 VanDerWaalsContact O-CG2 3.24Å; T340-V344 WeakPolarHBondContact O-CG2 3.42Å; T340-V344 PolarHBondContact O-N 3.43Å
341	V	95.5	Very high	94.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-42.2	-178.4	176.4	0	0	0	0	110.8	L133 W247 A248 L252 C337 Y338 A343 V344 L345	L133-V341 HydrophobicContact CD2-CB 4.4Å; L133-V341 HydrophobicContact CD2-CG1 4.04Å; W247-V341 HydrophobicContact CH2-CG1 3.89Å; W247-V341 HydrophobicContact CZ3-CG1 4.11Å; A248-V341 HydrophobicContact CB-CG2 3.77Å; L252-V341 HydrophobicContact CD1-CG2 4.15Å; L252-V341 HydrophobicContact CD2-CG2 4.49Å; L252-V341 HydrophobicContact CG-CG2 4.18Å; C337-V341 VanDerWaalsContact O-CG2 3.32Å; C337-V341 WeakPolarHBondContact O-CG2 3.5Å; C337-V341 PolarHBondContact O-N 2.89Å; Y338-V341 PolarHBondContact O-N 3.13Å; V341-A343 PolarHBondContact O-N 2.86Å; V341-V344 PolarHBondContact O-N 3.14Å; V341-L345 HydrophobicContact CG1-CD1 3.82Å; V341-L345 HydrophobicContact CG1-CG 4.17Å; V341-L345 WeakPolarHBondContact O-CB 3.18Å; V341-L345 WeakPolarHBondContact O-CG 3.38Å; V341-L345 PolarHBondContact O-N 2.98Å
342	H	95.9	Very high	94.4	Very high	39 Å²	39	23 Å²	23	18%	0.181	13%	0.127	C	C	.	.	H	α-helix	trans	-55.5	-52.2	176.5	179.1	-86.8	0	0	0	111.1	L133 N136 Y338 V344 L345 Q346	L133-H342 HydrophobicContact CD2-CB 3.9Å; N136-H342 PolarHBondContact ND2-CD2 3.09Å; N136-H342 PolarHBondContact ND2-NE2 3Å; Y338-H342 WeakPolarHBondContact O-CB 3.41Å; Y338-H342 PolarHBondContact O-N 3.35Å; H342-V344 PolarHBondContact O-N 2.79Å; H342-L345 PolarHBondContact O-N 3.47Å; H342-Q346 PolarHBondContact CE1-NE2 3.49Å; H342-Q346 PolarHBondContact CE1-OE1 3.31Å; H342-Q346 PolarHBondContact ND1-OE1 3.47Å; H342-Q346 WeakPolarHBondContact O-CG 3.39Å; H342-Q346 PolarHBondContact O-N 3.41Å
343	A	95.9	Very high	94.6	Very high	46 Å²	46	23 Å²	23	38%	0.38	14%	0.135	S	C	.	.	H	α-helix	trans	-63.7	-42.5	178.1	0	0	0	0	0	112.3	D339 T340 V341 Q346 V347	D339-A343 WeakPolarHBondContact O-CB 3.45Å; D339-A343 PolarHBondContact O-N 2.84Å; T340-A343 PolarHBondContact O-N 3.25Å; V341-A343 PolarHBondContact O-N 2.86Å; A343-Q346 PolarHBondContact O-N 3.5Å; A343-V347 WeakPolarHBondContact O-CB 3.4Å; A343-V347 VanDerWaalsContact O-CG2 3.3Å; A343-V347 WeakPolarHBondContact O-CG2 3.49Å; A343-V347 PolarHBondContact O-N 2.85Å
344	V	96.6	Very high	94.8	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-44.1	179.8	162.2	0	0	0	0	111.6	L252 L255 I298 K301 T340 V341 H342 Q346 V347 T348	L252-V344 HydrophobicContact CD2-CB 3.97Å; L252-V344 HydrophobicContact CD2-CG1 3.49Å; L252-V344 VanDerWaalsContact CD2-CG1 3.49Å; L252-V344 HydrophobicContact CD2-CG2 4.15Å; L255-V344 HydrophobicContact CD1-CG1 3.54Å; I298-V344 HydrophobicContact CB-CG1 4.49Å; I298-V344 HydrophobicContact CG1-CG1 4.06Å; I298-V344 HydrophobicContact CG1-CG2 4.38Å; I298-V344 HydrophobicContact CG2-CG1 3.95Å; K301-V344 HydrophobicContact CB-CG2 4.24Å; K301-V344 HydrophobicContact CG-CG2 4.38Å; T340-V344 HydrophobicContact CG2-CG2 4.46Å; T340-V344 WeakPolarHBondContact O-CB 3.23Å; T340-V344 VanDerWaalsContact O-CG2 3.24Å; T340-V344 WeakPolarHBondContact O-CG2 3.42Å; T340-V344 PolarHBondContact O-N 3.43Å; V341-V344 PolarHBondContact O-N 3.14Å; H342-V344 PolarHBondContact O-N 2.79Å; V344-Q346 PolarHBondContact O-N 3.02Å; V344-V347 PolarHBondContact O-N 3.09Å; V344-T348 WeakPolarHBondContact O-CB 3.46Å; V344-T348 PolarHBondContact O-N 2.75Å; V344-T348 PolarHBondContact O-OG1 3.23Å
345	L	95.8	Very high	94.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-42.9	177.9	-72.7	170.4	0	0	0	111.7	L133 N136 S137 L140 L255 V341 H342 T348 T349	L133-L345 HydrophobicContact CD2-CD1 4.09Å; N136-L345 HydrophobicContact CB-CB 4.16Å; N136-L345 HydrophobicContact CB-CD1 4.12Å; S137-L345 WeakPolarHBondContact OG-CD1 3.34Å; L140-L345 HydrophobicContact CD2-CD2 4.02Å; L255-L345 HydrophobicContact CD1-CD2 4.03Å; V341-L345 HydrophobicContact CG1-CD1 3.82Å; V341-L345 HydrophobicContact CG1-CG 4.17Å; V341-L345 WeakPolarHBondContact O-CB 3.18Å; V341-L345 WeakPolarHBondContact O-CG 3.38Å; V341-L345 PolarHBondContact O-N 2.98Å; H342-L345 PolarHBondContact O-N 3.47Å; L345-T348 PolarHBondContact O-N 2.91Å; L345-T349 WeakPolarHBondContact O-CB 3.44Å; L345-T349 PolarHBondContact O-N 2.63Å; L345-T349 PolarHBondContact O-OG1 3.45Å
346	Q	95.8	Very high	95	Very high	93 Å²	93	32.4 Å²	32.4	44%	0.435	18%	0.18	S	C	.	.	H	α-helix	trans	-65.7	-47.2	178.1	-70.1	-176.3	-41	0	0	112.3	H342 A343 V344 T348 T349 G350	H342-Q346 PolarHBondContact CE1-NE2 3.49Å; H342-Q346 PolarHBondContact CE1-OE1 3.31Å; H342-Q346 PolarHBondContact ND1-OE1 3.47Å; H342-Q346 WeakPolarHBondContact O-CG 3.39Å; H342-Q346 PolarHBondContact O-N 3.41Å; A343-Q346 PolarHBondContact O-N 3.5Å; V344-Q346 PolarHBondContact O-N 3.02Å; Q346-T348 VanDerWaalsContact C-N 3.32Å; Q346-T348 PolarHBondContact O-N 2.99Å; Q346-T349 WeakPolarHBondContact O-CB 3.4Å; Q346-T349 PolarHBondContact O-N 2.88Å; Q346-G350 PolarHBondContact O-N 3.26Å
347	V	95.6	Very high	95.1	Very high	52 Å²	52	32.5 Å²	32.5	32%	0.315	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-43.8	177.1	172.1	0	0	0	0	110.6	Y279 I298 A343 V344 T349 G350 V351	Y279-V347 HydrophobicContact CD1-CG1 4.34Å; I298-V347 HydrophobicContact CD1-CG1 4.23Å; A343-V347 WeakPolarHBondContact O-CB 3.4Å; A343-V347 VanDerWaalsContact O-CG2 3.3Å; A343-V347 WeakPolarHBondContact O-CG2 3.49Å; A343-V347 PolarHBondContact O-N 2.85Å; V344-V347 PolarHBondContact O-N 3.09Å; V347-T349 VanDerWaalsContact C-N 3.33Å; V347-T349 PolarHBondContact O-N 3.44Å; V347-G350 PolarHBondContact O-N 3.3Å; V347-V351 HydrophobicContact CG1-CG2 4.41Å; V347-V351 WeakPolarHBondContact O-CG2 3.43Å; V347-V351 PolarHBondContact O-N 3.01Å
348	T	95.4	Very high	95.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-42.6	177.9	-57.8	0	0	0	0	111.4	L140 L255 M258 I298 V344 L345 Q346 G350 V351 M352	L140-T348 HydrophobicContact CD1-CG2 3.89Å; L140-T348 HydrophobicContact CD2-CG2 3.86Å; L255-T348 HydrophobicContact CD2-CG2 4.08Å; M258-T348 HydrophobicContact CE-CG2 3.17Å; I298-T348 VanDerWaalsContact CD1-OG1 3.32Å; I298-T348 WeakPolarHBondContact CD1-OG1 3.33Å; V344-T348 WeakPolarHBondContact O-CB 3.46Å; V344-T348 PolarHBondContact O-N 2.75Å; V344-T348 PolarHBondContact O-OG1 3.23Å; L345-T348 PolarHBondContact O-N 2.91Å; Q346-T348 VanDerWaalsContact C-N 3.32Å; Q346-T348 PolarHBondContact O-N 2.99Å; T348-G350 VanDerWaalsContact C-N 3.31Å; T348-G350 PolarHBondContact O-N 2.88Å; T348-V351 PolarHBondContact O-N 2.7Å; T348-M352 HydrophobicContact CG2-CG 4.38Å; T348-M352 WeakPolarHBondContact O-CB 3.18Å; T348-M352 WeakPolarHBondContact O-CG 3.28Å; T348-M352 PolarHBondContact O-N 3.34Å
349	T	96.1	Very high	95	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-43.9	175.6	-58	0	0	0	0	111	Q139 L140 L345 Q346 V347 M352 S353	Q139-T349 HydrophobicContact CG-CG2 4.24Å; L140-T349 WeakPolarHBondContact CB-OG1 3.5Å; L345-T349 WeakPolarHBondContact O-CB 3.44Å; L345-T349 PolarHBondContact O-N 2.63Å; L345-T349 PolarHBondContact O-OG1 3.45Å; Q346-T349 WeakPolarHBondContact O-CB 3.4Å; Q346-T349 PolarHBondContact O-N 2.88Å; V347-T349 VanDerWaalsContact C-N 3.33Å; V347-T349 PolarHBondContact O-N 3.44Å; T349-M352 PolarHBondContact O-N 3.03Å; T349-S353 WeakPolarHBondContact O-CB 3.4Å; T349-S353 PolarHBondContact O-N 3.13Å
350	G	94.6	Very high	94.9	Very high	10 Å²	10	39.5 Å²	39.5	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-43.9	175.6	0	0	0	0	0	113.9	Y279 Q346 V347 T348 S353 T354	Y279-G350 WeakPolarHBondContact CE2-O 3.44Å; Y279-G350 VanDerWaalsContact OH-CA 3.3Å; Y279-G350 WeakPolarHBondContact OH-CA 3.38Å; Q346-G350 PolarHBondContact O-N 3.26Å; V347-G350 PolarHBondContact O-N 3.3Å; T348-G350 VanDerWaalsContact C-N 3.31Å; T348-G350 PolarHBondContact O-N 2.88Å; G350-S353 PolarHBondContact O-N 2.92Å; G350-T354 WeakPolarHBondContact O-CB 3.38Å; G350-T354 WeakPolarHBondContact O-CG2 3.29Å; G350-T354 PolarHBondContact O-N 2.92Å; G350-T354 PolarHBondContact O-OG1 3.23Å
351	V	94.6	Very high	94.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-51.1	175.5	172.2	0	0	0	0	110.6	L262 L275 Y279 S294 L295 V347 T348 S353 T354 L355	L262-V351 HydrophobicContact CD1-CG1 4.45Å; L275-V351 HydrophobicContact CD2-CG1 3.98Å; Y279-V351 HydrophobicContact CD1-CG2 4.08Å; Y279-V351 HydrophobicContact CD2-CG2 4.31Å; Y279-V351 HydrophobicContact CG-CG2 3.8Å; S294-V351 WeakPolarHBondContact OG-CG2 3.49Å; L295-V351 HydrophobicContact CD2-CG1 4.11Å; V347-V351 HydrophobicContact CG1-CG2 4.41Å; V347-V351 WeakPolarHBondContact O-CG2 3.43Å; V347-V351 PolarHBondContact O-N 3.01Å; T348-V351 PolarHBondContact O-N 2.7Å; V351-S353 VanDerWaalsContact C-N 3.27Å; V351-S353 PolarHBondContact O-N 3.22Å; V351-T354 PolarHBondContact O-N 3.35Å; V351-L355 WeakPolarHBondContact O-CB 3.41Å; V351-L355 PolarHBondContact O-N 2.93Å
352	M	94.6	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-30.4	179	-68.7	-53.9	-62.9	0	0	112.6	L140 M144 R147 W173 I174 M258 L262 T348 T349 L355	L140-M352 HydrophobicContact CD1-CB 4.41Å; L140-M352 HydrophobicContact CD1-CG 4.24Å; M144-M352 HydrophobicContact CE-CE 4.32Å; M144-M352 HydrophobicContact CG-CB 4.45Å; M144-M352 HydrophobicContact CG-CE 4.24Å; M144-M352 HydrophobicContact CG-CG 4.35Å; R147-M352 PolarHBondContact NE-O 2.9Å; R147-M352 PolarHBondContact NH2-O 3.09Å; W173-M352 HydrophobicContact CZ3-CE 4.38Å; I174-M352 HydrophobicContact CG1-CE 4.48Å; I174-M352 HydrophobicContact CG2-CE 4.43Å; M258-M352 HydrophobicContact CE-CG 4.38Å; M258-M352 HydrophobicContact CE-SD 4.47Å; M258-M352 HydrophobicContact SD-SD 4.17Å; L262-M352 HydrophobicContact CD1-SD 3.87Å; T348-M352 HydrophobicContact CG2-CG 4.38Å; T348-M352 WeakPolarHBondContact O-CB 3.18Å; T348-M352 WeakPolarHBondContact O-CG 3.28Å; T348-M352 PolarHBondContact O-N 3.34Å; T349-M352 PolarHBondContact O-N 3.03Å; M352-L355 HydrophobicContact CE-CD2 3.91Å; M352-L355 HydrophobicContact SD-CD2 3.53Å; M352-L355 VanDerWaalsContact SD-CD2 3.53Å
353	S	94.6	Very high	94.3	Very high	73 Å²	73	43.3 Å²	43.3	51%	0.51	24%	0.243	S	C	.	.	H	α-helix	trans	-70.1	-41.7	175.2	-175.8	0	0	0	0	111.7	R147 T349 G350 V351	R147-S353 PolarHBondContact NH2-O 3.32Å; T349-S353 WeakPolarHBondContact O-CB 3.4Å; T349-S353 PolarHBondContact O-N 3.13Å; G350-S353 PolarHBondContact O-N 2.92Å; V351-S353 VanDerWaalsContact C-N 3.27Å; V351-S353 PolarHBondContact O-N 3.22Å
354	T	94.2	Very high	94.1	Very high	55 Å²	55	45.1 Å²	45.1	34%	0.337	26%	0.258	S	S	.	.	H	α-helix	trans	-102.8	-11.2	-166.8	60.6	0	0	0	0	115.7	A276 Y279 G350 V351	A276-T354 WeakPolarHBondContact CB-OG1 3.38Å; Y279-T354 WeakPolarHBondContact CD2-OG1 3.4Å; Y279-T354 HydrophobicContact CE2-CG2 4.22Å; G350-T354 WeakPolarHBondContact O-CB 3.38Å; G350-T354 WeakPolarHBondContact O-CG2 3.29Å; G350-T354 PolarHBondContact O-N 2.92Å; G350-T354 PolarHBondContact O-OG1 3.23Å; V351-T354 PolarHBondContact O-N 3.35Å
355	L	93.1	Very high	93.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	26%	0.261	C	S	.	.			trans	-60	139.8	-178.2	73.5	90.3	0	0	0	111.7	R147 W170 L262 V273 V351 M352 I357	R147-L355 VanDerWaalsContact CZ-O 3.27Å; R147-L355 PolarHBondContact NH1-O 3Å; R147-L355 PolarHBondContact NH2-O 3.39Å; W170-L355 HydrophobicContact CZ2-CD1 4.13Å; L262-L355 HydrophobicContact CD2-CD2 4.29Å; V273-L355 HydrophobicContact CG1-CD1 4.39Å; V351-L355 WeakPolarHBondContact O-CB 3.41Å; V351-L355 PolarHBondContact O-N 2.93Å; M352-L355 HydrophobicContact CE-CD2 3.91Å; M352-L355 HydrophobicContact SD-CD2 3.53Å; M352-L355 VanDerWaalsContact SD-CD2 3.53Å; L355-I357 HydrophobicContact CD1-CG2 3.76Å
356	K	94.1	Very high	93.6	Very high	152 Å²	152	46.1 Å²	46.1	66%	0.661	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	135.9	175.3	-67.1	-176.8	178.8	-179.2	0	109.6	V273 T274	V273-K356 CarbonylContact C-O 3.53Å; V273-K356 WeakPolarHBondContact CA-O 3.32Å; T274-K356 PolarHBondContact N-O 2.94Å; T274-K356 PolarHBondContact O-N 2.78Å
357	I	95.4	Very high	93.1	Very high	24 Å²	24	44.4 Å²	44.4	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.2	175.6	58.3	168.9	0	0	0	110.6	E151 V154 W170 V273 L355 Q359 M362	E151-I357 HydrophobicContact CB-CD1 4.37Å; E151-I357 HydrophobicContact CG-CD1 4.07Å; V154-I357 HydrophobicContact CB-CD1 4.39Å; V154-I357 HydrophobicContact CG1-CD1 4.13Å; V154-I357 HydrophobicContact CG2-CD1 3.8Å; W170-I357 HydrophobicContact CZ2-CG2 3.91Å; V273-I357 HydrophobicContact CG1-CG2 4.38Å; L355-I357 HydrophobicContact CD1-CG2 3.76Å; I357-Q359 HydrophobicContact CD1-CG 3.88Å; I357-Q359 HydrophobicContact CG1-CG 4.18Å; I357-M362 HydrophobicContact CB-CE 3.95Å; I357-M362 HydrophobicContact CB-SD 4.34Å; I357-M362 HydrophobicContact CG2-CE 3.89Å
358	N	94.1	Very high	92.5	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.294	25%	0.249	S	C	.	.			trans	-101.6	83	174.6	-66	-42.6	0	0	0	109.1	S271 F272 T274 S360 V361 M362	S271-N358 WeakPolarHBondContact O-CB 3.46Å; S271-N358 PolarHBondContact O-ND2 2.92Å; F272-N358 PolarHBondContact O-N 3.37Å; T274-N358 PolarHBondContact OG1-ND2 3.03Å; N358-S360 VanDerWaalsContact C-N 3.29Å; N358-S360 PolarHBondContact O-N 3.36Å; N358-V361 HydrophobicContact CB-CB 4.04Å; N358-V361 HydrophobicContact CB-CG2 3.93Å; N358-V361 PolarHBondContact O-N 3.07Å; N358-M362 PolarHBondContact O-N 3.27Å
359	Q	92.9	Very high	91.9	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-54.9	-43.3	-173.9	-62.3	-179.7	18.5	0	0	112.5	V154 I357 V361 M362 E363	V154-Q359 HydrophobicContact CG1-CG 4.1Å; V154-Q359 HydrophobicContact CG2-CG 3.79Å; I357-Q359 HydrophobicContact CD1-CG 3.88Å; I357-Q359 HydrophobicContact CG1-CG 4.18Å; Q359-V361 VanDerWaalsContact C-N 3.28Å; Q359-V361 PolarHBondContact O-N 3.3Å; Q359-M362 PolarHBondContact O-N 3.22Å; Q359-E363 WeakPolarHBondContact O-CG 3.46Å; Q359-E363 PolarHBondContact O-N 3.45Å
360	S	91.9	Very high	91.5	Very high	87 Å²	87	46.3 Å²	46.3	61%	0.608	27%	0.268	S	S	*	.	H	α-helix	trans	-61.9	-34.8	179.1	59.9	0	0	0	0	113.2	N358 A364	N358-S360 VanDerWaalsContact C-N 3.29Å; N358-S360 PolarHBondContact O-N 3.36Å; S360-A364 WeakPolarHBondContact O-CB 3.34Å; S360-A364 PolarHBondContact O-N 3.16Å
361	V	92.8	Very high	91.1	Very high	52 Å²	52	45.9 Å²	45.9	32%	0.315	26%	0.263	S	S	.	.	H	α-helix	trans	-76.4	-40.3	179.1	-178.4	0	0	0	0	110.4	Y270 F272 N358 Q359 A364 A365	Y270-V361 WeakPolarHBondContact O-CG1 3.29Å; F272-V361 HydrophobicContact CD1-CG1 4.12Å; F272-V361 HydrophobicContact CE1-CG1 4.4Å; N358-V361 HydrophobicContact CB-CB 4.04Å; N358-V361 HydrophobicContact CB-CG2 3.93Å; N358-V361 PolarHBondContact O-N 3.07Å; Q359-V361 VanDerWaalsContact C-N 3.28Å; Q359-V361 PolarHBondContact O-N 3.3Å; V361-A364 PolarHBondContact O-N 2.66Å; V361-A365 WeakPolarHBondContact O-CB 3.41Å; V361-A365 PolarHBondContact O-N 3.14Å
362	M	92.8	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-44.3	175.6	-69.4	176.3	165.3	0	0	111.6	V154 L155 F156 W170 F272 V273 I357 N358 Q359 A365	V154-M362 HydrophobicContact CG1-SD 3.8Å; L155-M362 WeakPolarHBondContact O-CB 3.22Å; F156-M362 HydrophobicContact CB-CB 3.89Å; F156-M362 HydrophobicContact CB-CG 4.1Å; F156-M362 HydrophobicContact CB-SD 4.22Å; W170-M362 HydrophobicContact CD2-CE 4.07Å; W170-M362 HydrophobicContact CE3-CE 3.79Å; W170-M362 HydrophobicContact CZ3-CE 4.05Å; F272-M362 HydrophobicContact CB-CE 3.74Å; F272-M362 HydrophobicContact CB-CG 3.94Å; F272-M362 HydrophobicContact CD1-CG 3.88Å; F272-M362 HydrophobicContact CG-CG 3.96Å; F272-M362 WeakPolarHBondContact O-CE 3.34Å; V273-M362 HydrophobicContact CG1-CE 4.18Å; I357-M362 HydrophobicContact CB-CE 3.95Å; I357-M362 HydrophobicContact CB-SD 4.34Å; I357-M362 HydrophobicContact CG2-CE 3.89Å; N358-M362 PolarHBondContact O-N 3.27Å; Q359-M362 PolarHBondContact O-N 3.22Å; M362-A365 PolarHBondContact O-N 2.99Å
363	E	90.1	Very high	90.3	Very high	79 Å²	79	49.6 Å²	49.6	37%	0.369	29%	0.287	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.1	-71.2	-175.8	170.5	0	0	111.8	Q359 A365 L366 R433	Q359-E363 WeakPolarHBondContact O-CG 3.46Å; Q359-E363 PolarHBondContact O-N 3.45Å; E363-A365 PolarHBondContact O-N 3.49Å; E363-L366 VanDerWaalsContact O-CB 3.3Å; E363-L366 WeakPolarHBondContact O-CB 3.29Å; E363-L366 WeakPolarHBondContact O-CG 3.35Å; E363-L366 PolarHBondContact O-N 3.15Å; E363-L366 VanDerWaalsContact O-N 3.11Å; E363-R433 IonicContact OE1-NH2 3.64Å
364	A	91	Very high	90	Very high	84 Å²	84	46.2 Å²	46.2	69%	0.694	26%	0.263	S	S	*	.	H	α-helix	trans	-65.8	-20.3	176.7	0	0	0	0	0	113.6	S360 V361 L366	S360-A364 WeakPolarHBondContact O-CB 3.34Å; S360-A364 PolarHBondContact O-N 3.16Å; V361-A364 PolarHBondContact O-N 2.66Å; A364-L366 VanDerWaalsContact C-N 3.28Å
365	A	91.6	Very high	89.5	Confident	15 Å²	15	43.6 Å²	43.6	12%	0.124	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.5	176	0	0	0	0	0	113.4	P157 K164 F272 V361 M362 E363	P157-A365 HydrophobicContact CG-CB 4.09Å; K164-A365 WeakPolarHBondContact CE-O 3.48Å; K164-A365 PolarHBondContact NZ-O 3.34Å; F272-A365 HydrophobicContact CE1-CB 3.56Å; F272-A365 HydrophobicContact CZ-CB 3.74Å; V361-A365 WeakPolarHBondContact O-CB 3.41Å; V361-A365 PolarHBondContact O-N 3.14Å; M362-A365 PolarHBondContact O-N 2.99Å; E363-A365 PolarHBondContact O-N 3.49Å
366	L	90.3	Very high	89.3	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.073	25%	0.246	C	C	.	.			trans	-70.4	133.6	171.8	-57.2	178.6	0	0	0	109.6	L155 P157 P167 E363 A364 M370 Y432	L155-L366 HydrophobicContact CB-CD1 4.12Å; P157-L366 HydrophobicContact CB-CD2 4.16Å; P167-L366 HydrophobicContact CB-CD1 4.42Å; P167-L366 HydrophobicContact CB-CD2 3.98Å; E363-L366 VanDerWaalsContact O-CB 3.3Å; E363-L366 WeakPolarHBondContact O-CB 3.29Å; E363-L366 WeakPolarHBondContact O-CG 3.35Å; E363-L366 PolarHBondContact O-N 3.15Å; E363-L366 VanDerWaalsContact O-N 3.11Å; A364-L366 VanDerWaalsContact C-N 3.28Å; L366-M370 HydrophobicContact CD2-SD 4.11Å; L366-Y432 HydrophobicContact CB-CD1 4.16Å; L366-Y432 HydrophobicContact CB-CD2 4.14Å; L366-Y432 HydrophobicContact CB-CE1 3.91Å; L366-Y432 HydrophobicContact CB-CE2 3.88Å; L366-Y432 HydrophobicContact CB-CG 4.29Å; L366-Y432 HydrophobicContact CD1-CD1 4.2Å; L366-Y432 HydrophobicContact CD1-CD2 3.79Å; L366-Y432 HydrophobicContact CD1-CE2 4.36Å; L366-Y432 HydrophobicContact CD1-CG 3.71Å
367	N	85.8	Confident	89	Confident	57 Å²	57	40 Å²	40	31%	0.305	23%	0.23	S	C	.	.			trans	-116.7	134.8	-179.4	180	-9.4	0	0	0	108.7	D369 M370	N367-D369 PolarHBondContact ND2-OD2 3.25Å; N367-D369 PolarHBondContact O-N 2.95Å; N367-D369 PolarHBondContact OD1-N 3.29Å; N367-D369 PolarHBondContact OD1-OD2 2.92Å; N367-M370 VanDerWaalsContact O-CB 3.3Å; N367-M370 WeakPolarHBondContact O-CB 3.33Å; N367-M370 WeakPolarHBondContact O-CG 3.34Å; N367-M370 PolarHBondContact O-N 3.39Å
368	P	83.2	Confident	88.6	Confident	17 Å²	17	39.7 Å²	39.7	11%	0.11	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-48.6	-27.1	171.5	-30.3	36.9	0	0	0	115.1	M370 L371 L407 N408 Y432	P368-M370 PolarHBondContact O-N 2.92Å; P368-L371 WeakPolarHBondContact O-CB 3.49Å; P368-L371 PolarHBondContact O-N 3.17Å; P368-L407 HydrophobicContact CB-CB 4.38Å; P368-N408 HydrophobicContact CB-CB 4.27Å; P368-Y432 WeakPolarHBondContact CD-OH 3.34Å; P368-Y432 VanDerWaalsContact N-OH 3.1Å
369	D	83.1	Confident	88.2	Confident	80 Å²	80	37 Å²	37	43%	0.428	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-60.5	-27.6	176.8	-58.9	-25	0	0	0	112.9	N367 L371 A372	N367-D369 PolarHBondContact ND2-OD2 3.25Å; N367-D369 PolarHBondContact O-N 2.95Å; N367-D369 PolarHBondContact OD1-N 3.29Å; N367-D369 PolarHBondContact OD1-OD2 2.92Å; D369-L371 PolarHBondContact O-N 2.92Å; D369-A372 VanDerWaalsContact O-CB 3.31Å; D369-A372 WeakPolarHBondContact O-CB 3.05Å; D369-A372 PolarHBondContact O-N 3.4Å
370	M	86.5	Confident	88.1	Confident	11 Å²	11	34.8 Å²	34.8	5%	0.054	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.9	-26.1	174.3	-62.4	172	179.3	0	0	112.3	P157 K164 L366 N367 P368 A372	P157-M370 HydrophobicContact CB-CE 3.64Å; K164-M370 HydrophobicContact CB-CE 3.42Å; K164-M370 VanDerWaalsContact CB-CE 3.42Å; K164-M370 HydrophobicContact CD-CE 3.54Å; K164-M370 HydrophobicContact CG-CE 3.57Å; L366-M370 HydrophobicContact CD2-SD 4.11Å; N367-M370 VanDerWaalsContact O-CB 3.3Å; N367-M370 WeakPolarHBondContact O-CB 3.33Å; N367-M370 WeakPolarHBondContact O-CG 3.34Å; N367-M370 PolarHBondContact O-N 3.39Å; P368-M370 PolarHBondContact O-N 2.92Å; M370-A372 PolarHBondContact O-N 3.26Å
371	L	86.6	Confident	88	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-83.6	-0.1	-176.9	-57.9	171.1	0	0	0	112.4	P368 D369 T373 D374 L375 V429 W430 Y432	P368-L371 WeakPolarHBondContact O-CB 3.49Å; P368-L371 PolarHBondContact O-N 3.17Å; D369-L371 PolarHBondContact O-N 2.92Å; L371-T373 PolarHBondContact O-N 3.45Å; L371-D374 WeakPolarHBondContact O-CB 3.3Å; L371-D374 PolarHBondContact O-N 3.06Å; L371-D374 VanDerWaalsContact O-N 3.08Å; L371-L375 PolarHBondContact O-N 2.58Å; L371-V429 WeakPolarHBondContact CD1-O 3.5Å; L371-W430 HydrophobicContact CB-CE3 4.41Å; L371-W430 HydrophobicContact CB-CZ3 4.42Å; L371-W430 HydrophobicContact CD1-CE3 4.2Å; L371-Y432 HydrophobicContact CD1-CD1 3.89Å; L371-Y432 HydrophobicContact CD1-CE1 3.62Å; L371-Y432 HydrophobicContact CD2-CD1 3.96Å; L371-Y432 HydrophobicContact CD2-CE1 4.31Å; L371-Y432 HydrophobicContact CG-CD1 4.1Å; L371-Y432 HydrophobicContact CG-CE1 3.94Å
372	A	85.9	Confident	87.7	Confident	14 Å²	14	39.4 Å²	39.4	12%	0.116	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-33.8	173.9	0	0	0	0	0	112.3	D369 M370 A376 S393 V397 L407	D369-A372 VanDerWaalsContact O-CB 3.31Å; D369-A372 WeakPolarHBondContact O-CB 3.05Å; D369-A372 PolarHBondContact O-N 3.4Å; M370-A372 PolarHBondContact O-N 3.26Å; A372-A376 PolarHBondContact O-N 2.75Å; A372-S393 WeakPolarHBondContact O-CB 3.29Å; A372-V397 HydrophobicContact CB-CG2 3.6Å; A372-L407 HydrophobicContact CB-CD2 3.87Å
373	T	87.1	Confident	87.4	Confident	66 Å²	66	42.5 Å²	42.5	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-71.3	-38	174.6	-59.3	0	0	0	0	111.6	L371 L375 A376 Y377	L371-T373 PolarHBondContact O-N 3.45Å; T373-L375 VanDerWaalsContact C-N 3.28Å; T373-L375 PolarHBondContact O-N 3.34Å; T373-A376 WeakPolarHBondContact O-CB 3.41Å; T373-A376 PolarHBondContact O-N 2.69Å; T373-A376 VanDerWaalsContact O-N 3.1Å; T373-Y377 HydrophobicContact CG2-CD2 4.17Å; T373-Y377 HydrophobicContact CG2-CE2 3.61Å; T373-Y377 PolarHBondContact O-N 2.66Å
374	D	86.8	Confident	87.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-34.7	176.2	-74.7	29.7	0	0	0	112.2	L371 A376 Y377 Y378 V429 S435 Q438	L371-D374 WeakPolarHBondContact O-CB 3.3Å; L371-D374 PolarHBondContact O-N 3.06Å; L371-D374 VanDerWaalsContact O-N 3.08Å; D374-A376 VanDerWaalsContact C-N 3.29Å; D374-A376 PolarHBondContact O-N 3.43Å; D374-Y377 PolarHBondContact O-N 3.44Å; D374-Y378 WeakPolarHBondContact O-CB 3.23Å; D374-Y378 PolarHBondContact O-N 2.99Å; D374-V429 HydrophobicContact CB-CG1 3.6Å; D374-S435 PolarHBondContact OD1-OG 3.46Å; D374-S435 WeakPolarHBondContact OD2-CA 3.4Å; D374-S435 WeakPolarHBondContact OD2-CB 3.47Å; D374-S435 PolarHBondContact OD2-OG 2.79Å; D374-Q438 PolarHBondContact OD2-NE2 2.92Å
375	L	85	Confident	87.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-38.6	172.7	-165.5	70	0	0	0	111.7	L371 T373 L379 A396 F422 V426 W430	L371-L375 PolarHBondContact O-N 2.58Å; T373-L375 VanDerWaalsContact C-N 3.28Å; T373-L375 PolarHBondContact O-N 3.34Å; L375-L379 PolarHBondContact O-N 3.46Å; L375-A396 HydrophobicContact CD2-CB 3.74Å; L375-F422 HydrophobicContact CD1-CD1 4.14Å; L375-F422 HydrophobicContact CD1-CE1 3.42Å; L375-F422 VanDerWaalsContact CD1-CE1 3.42Å; L375-F422 HydrophobicContact CD1-CZ 4.08Å; L375-F422 HydrophobicContact CD2-CE1 4.32Å; L375-F422 HydrophobicContact CD2-CZ 4.13Å; L375-F422 HydrophobicContact CG-CE1 3.66Å; L375-F422 HydrophobicContact CG-CZ 3.86Å; L375-V426 HydrophobicContact CD1-CG2 3.47Å; L375-V426 VanDerWaalsContact CD1-CG2 3.47Å; L375-W430 HydrophobicContact CD1-CH2 4.29Å
376	A	87.8	Confident	87.2	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-44.2	172.3	0	0	0	0	0	111.3	A372 T373 D374 Y378 L379 V380 A389	A372-A376 PolarHBondContact O-N 2.75Å; T373-A376 WeakPolarHBondContact O-CB 3.41Å; T373-A376 PolarHBondContact O-N 2.69Å; T373-A376 VanDerWaalsContact O-N 3.1Å; D374-A376 VanDerWaalsContact C-N 3.29Å; D374-A376 PolarHBondContact O-N 3.43Å; A376-Y378 VanDerWaalsContact C-N 3.29Å; A376-Y378 PolarHBondContact O-N 2.94Å; A376-L379 PolarHBondContact O-N 2.95Å; A376-L379 VanDerWaalsContact O-N 3.14Å; A376-V380 WeakPolarHBondContact O-CG2 3.39Å; A376-V380 PolarHBondContact O-N 3.37Å; A376-A389 HydrophobicContact CB-CB 4.32Å
377	Y	88.4	Confident	87	Confident	80 Å²	80	53.6 Å²	53.6	31%	0.314	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-35.5	177.7	-69.9	-38.2	0	0	0	113.2	T373 D374 L379 V380 R381 F386	T373-Y377 HydrophobicContact CG2-CD2 4.17Å; T373-Y377 HydrophobicContact CG2-CE2 3.61Å; T373-Y377 PolarHBondContact O-N 2.66Å; D374-Y377 PolarHBondContact O-N 3.44Å; Y377-L379 VanDerWaalsContact C-N 3.35Å; Y377-L379 PolarHBondContact O-N 3.17Å; Y377-V380 PolarHBondContact O-N 2.97Å; Y377-R381 WeakPolarHBondContact O-CG 3.01Å; Y377-R381 PolarHBondContact O-N 3.41Å; Y377-F386 HydrophobicContact CD1-CE2 4.32Å; Y377-F386 HydrophobicContact CE1-CD2 4.41Å; Y377-F386 AromaticContact CE1-CE2 3.87Å; Y377-F386 HydrophobicContact CE1-CE2 3.87Å
378	Y	86.8	Confident	87.1	Confident	17 Å²	17	56.3 Å²	56.3	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-46.9	172.5	172.4	-87.3	0	0	0	111.7	D374 A376 V380 R381 K382 F422 G423 D425 V429	D374-Y378 WeakPolarHBondContact O-CB 3.23Å; D374-Y378 PolarHBondContact O-N 2.99Å; A376-Y378 VanDerWaalsContact C-N 3.29Å; A376-Y378 PolarHBondContact O-N 2.94Å; Y378-V380 PolarHBondContact O-N 3.43Å; Y378-R381 PolarHBondContact O-N 3.29Å; Y378-K382 HydrophobicContact CE1-CD 3.91Å; Y378-K382 PolarHBondContact O-N 3.02Å; Y378-K382 WeakPolarHBondContact OH-CE 3.47Å; Y378-K382 PolarHBondContact OH-NZ 3.39Å; Y378-F422 AromaticContact CD1-CD1 3.96Å; Y378-F422 HydrophobicContact CD1-CD1 3.96Å; Y378-F422 HydrophobicContact CD1-CE1 4.03Å; Y378-F422 AromaticContact CE1-CD1 3.77Å; Y378-F422 HydrophobicContact CE1-CD1 3.77Å; Y378-F422 HydrophobicContact CE1-CE1 4.31Å; Y378-G423 PolarHBondContact OH-N 3.26Å; Y378-D425 VanDerWaalsContact CE2-OD2 3.26Å; Y378-D425 WeakPolarHBondContact CE2-OD2 3.38Å; Y378-D425 PolarHBondContact OH-OD1 3.26Å; Y378-D425 PolarHBondContact OH-OD2 3.48Å; Y378-V429 HydrophobicContact CD2-CG2 4.11Å; Y378-V429 HydrophobicContact CG-CG2 4.37Å
379	L	85.9	Confident	87.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-38.3	176.2	-69.8	177.6	0	0	0	112.4	L375 A376 Y377 R381 K382 G383 V384 A389 L392 L421 F422	L375-L379 PolarHBondContact O-N 3.46Å; A376-L379 PolarHBondContact O-N 2.95Å; A376-L379 VanDerWaalsContact O-N 3.14Å; Y377-L379 VanDerWaalsContact C-N 3.35Å; Y377-L379 PolarHBondContact O-N 3.17Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.91Å; L379-K382 CarbonylContact O-C 3.42Å; L379-K382 WeakPolarHBondContact O-CA 3.17Å; L379-K382 PolarHBondContact O-N 3.15Å; L379-K382 VanDerWaalsContact O-N 3.09Å; L379-G383 PolarHBondContact O-N 3.11Å; L379-V384 HydrophobicContact CB-CB 4.2Å; L379-V384 HydrophobicContact CB-CG2 4.21Å; L379-V384 WeakPolarHBondContact O-CB 3.32Å; L379-V384 WeakPolarHBondContact O-CG2 3.47Å; L379-V384 PolarHBondContact O-N 2.92Å; L379-V384 VanDerWaalsContact O-N 3.14Å; L379-A389 HydrophobicContact CB-CB 3.81Å; L379-A389 HydrophobicContact CD1-CB 4.29Å; L379-L392 HydrophobicContact CD1-CB 3.73Å; L379-L392 HydrophobicContact CD1-CD1 3.77Å; L379-L392 HydrophobicContact CD1-CG 4.41Å; L379-L421 HydrophobicContact CD2-CB 4.09Å; L379-F422 HydrophobicContact CD1-CE1 4.11Å; L379-F422 HydrophobicContact CD1-CE2 4.05Å; L379-F422 HydrophobicContact CD1-CZ 3.49Å; L379-F422 VanDerWaalsContact CD1-CZ 3.49Å; L379-F422 HydrophobicContact CD2-CD1 4.08Å; L379-F422 HydrophobicContact CD2-CD2 4.38Å; L379-F422 HydrophobicContact CD2-CE1 3.71Å; L379-F422 HydrophobicContact CD2-CE2 4.07Å; L379-F422 HydrophobicContact CD2-CG 4.41Å; L379-F422 HydrophobicContact CD2-CZ 3.74Å; L379-F422 HydrophobicContact CG-CE1 3.75Å; L379-F422 HydrophobicContact CG-CE2 4.39Å; L379-F422 HydrophobicContact CG-CZ 3.67Å
380	V	91.4	Very high	87.6	Confident	54 Å²	54	57.1 Å²	57.1	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175.9	175.8	0	0	0	0	111.8	A376 Y377 Y378 K382 G383 V384 F386 A389	A376-V380 WeakPolarHBondContact O-CG2 3.39Å; A376-V380 PolarHBondContact O-N 3.37Å; Y377-V380 PolarHBondContact O-N 2.97Å; Y378-V380 PolarHBondContact O-N 3.43Å; V380-K382 PolarHBondContact O-N 3.13Å; V380-G383 PolarHBondContact O-N 3.24Å; V380-V384 WeakPolarHBondContact CA-O 3.44Å; V380-F386 HydrophobicContact CG2-CB 4.06Å; V380-F386 HydrophobicContact CG2-CD2 3.95Å; V380-A389 HydrophobicContact CG2-CB 3.68Å
381	R	88.6	Confident	87.6	Confident	155 Å²	155	58.3 Å²	58.3	59%	0.585	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-24.1	174.9	-70.9	178	-173.5	115.8	3.8	112.8	Y377 Y378 L379 G383 Q438	Y377-R381 WeakPolarHBondContact O-CG 3.01Å; Y377-R381 PolarHBondContact O-N 3.41Å; Y378-R381 PolarHBondContact O-N 3.29Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.91Å; R381-G383 VanDerWaalsContact C-N 3.31Å; R381-Q438 VanDerWaalsContact CZ-OE1 3.29Å
382	K	86.7	Confident	87.5	Confident	81 Å²	81	59.2 Å²	59.2	35%	0.352	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.4	172.9	-67.5	-167.5	173.2	-167.3	0	114.2	Y378 L379 V380 L421 D425	Y378-K382 HydrophobicContact CE1-CD 3.91Å; Y378-K382 PolarHBondContact O-N 3.02Å; Y378-K382 WeakPolarHBondContact OH-CE 3.47Å; Y378-K382 PolarHBondContact OH-NZ 3.39Å; L379-K382 CarbonylContact O-C 3.42Å; L379-K382 WeakPolarHBondContact O-CA 3.17Å; L379-K382 PolarHBondContact O-N 3.15Å; L379-K382 VanDerWaalsContact O-N 3.09Å; V380-K382 PolarHBondContact O-N 3.13Å; K382-L421 HydrophobicContact CD-CB 4.35Å; K382-L421 WeakPolarHBondContact CD-O 3.15Å; K382-L421 WeakPolarHBondContact CE-O 3.05Å; K382-L421 PolarHBondContact NZ-O 3.24Å; K382-D425 IonicContact NZ-OD1 3.57Å; K382-D425 IonicContact NZ-OD2 3.8Å
383	G	87.4	Confident	87.5	Confident	65 Å²	65	58.9 Å²	58.9	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	5.1	174	0	0	0	0	0	115.3	L379 V380 R381	L379-G383 PolarHBondContact O-N 3.11Å; V380-G383 PolarHBondContact O-N 3.24Å; R381-G383 VanDerWaalsContact C-N 3.31Å
384	V	88.1	Confident	87.5	Confident	14 Å²	14	57.5 Å²	57.5	9%	0.085	30%	0.296	C	S	.	.			trans	-76.4	133.7	176.1	-175.9	0	0	0	0	110.1	L379 V380 E388 A389 L392 L421	L379-V384 HydrophobicContact CB-CB 4.2Å; L379-V384 HydrophobicContact CB-CG2 4.21Å; L379-V384 WeakPolarHBondContact O-CB 3.32Å; L379-V384 WeakPolarHBondContact O-CG2 3.47Å; L379-V384 PolarHBondContact O-N 2.92Å; L379-V384 VanDerWaalsContact O-N 3.14Å; V380-V384 WeakPolarHBondContact CA-O 3.44Å; V384-E388 HydrophobicContact CG1-CB 3.84Å; V384-E388 HydrophobicContact CG1-CG 3.88Å; V384-A389 HydrophobicContact CB-CB 4.48Å; V384-A389 HydrophobicContact CG1-CB 4.13Å; V384-L392 HydrophobicContact CG1-CD1 4.5Å; V384-L421 HydrophobicContact CG2-CD1 3.32Å
385	P	91.2	Very high	87.5	Confident	82 Å²	82	63.7 Å²	63.7	53%	0.532	32%	0.323	S	S	.	.			trans	-57.6	139.5	172.2	-25.1	34.9	0	0	0	112.4	R387 E388 A389	P385-R387 VanDerWaalsContact C-N 3.3Å; P385-R387 PolarHBondContact O-N 2.97Å; P385-R387 VanDerWaalsContact O-N 3.15Å; P385-E388 WeakPolarHBondContact O-CB 3.41Å; P385-E388 PolarHBondContact O-N 2.93Å; P385-A389 PolarHBondContact O-N 2.79Å
386	F	88.4	Confident	87.4	Confident	100 Å²	100	63.7 Å²	63.7	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-55.3	-39.1	-173.4	179.3	-99.8	0	0	0	114.4	Y377 V380 E388 A389 H390	Y377-F386 HydrophobicContact CD1-CE2 4.32Å; Y377-F386 HydrophobicContact CE1-CD2 4.41Å; Y377-F386 AromaticContact CE1-CE2 3.87Å; Y377-F386 HydrophobicContact CE1-CE2 3.87Å; V380-F386 HydrophobicContact CG2-CB 4.06Å; V380-F386 HydrophobicContact CG2-CD2 3.95Å; F386-E388 VanDerWaalsContact C-N 3.29Å; F386-E388 PolarHBondContact O-N 3.45Å; F386-A389 PolarHBondContact O-N 3.16Å; F386-H390 VanDerWaalsContact O-CB 3.31Å; F386-H390 WeakPolarHBondContact O-CB 3.42Å; F386-H390 PolarHBondContact O-N 2.78Å
387	R	87.2	Confident	87.4	Confident	229 Å²	229	65.4 Å²	65.4	86%	0.864	33%	0.333	S	S	*	.	H	α-helix	trans	-62.5	-37.7	177.7	-74.7	-173.6	178.5	172.5	-0.2	112.5	P385 G391	P385-R387 VanDerWaalsContact C-N 3.3Å; P385-R387 PolarHBondContact O-N 2.97Å; P385-R387 VanDerWaalsContact O-N 3.15Å; R387-G391 PolarHBondContact O-N 3.04Å; R387-G391 VanDerWaalsContact O-N 3.11Å
388	E	87.9	Confident	87.3	Confident	115 Å²	115	68 Å²	68	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-73.7	-43.9	177.2	-174.2	176.5	-179.6	0	0	110.4	V384 P385 F386 H390 G391 L392	V384-E388 HydrophobicContact CG1-CB 3.84Å; V384-E388 HydrophobicContact CG1-CG 3.88Å; P385-E388 WeakPolarHBondContact O-CB 3.41Å; P385-E388 PolarHBondContact O-N 2.93Å; F386-E388 VanDerWaalsContact C-N 3.29Å; F386-E388 PolarHBondContact O-N 3.45Å; E388-H390 VanDerWaalsContact C-N 3.33Å; E388-H390 PolarHBondContact O-N 3.22Å; E388-G391 PolarHBondContact O-N 3.1Å; E388-G391 VanDerWaalsContact O-N 3.13Å; E388-L392 HydrophobicContact CG-CD1 4.27Å; E388-L392 VanDerWaalsContact O-CG 3.3Å; E388-L392 WeakPolarHBondContact O-CG 3.36Å; E388-L392 PolarHBondContact O-N 2.85Å
389	A	87.6	Confident	87.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-41.5	174.3	0	0	0	0	0	112.9	A376 L379 V380 V384 P385 F386 L392 S393	A376-A389 HydrophobicContact CB-CB 4.32Å; L379-A389 HydrophobicContact CB-CB 3.81Å; L379-A389 HydrophobicContact CD1-CB 4.29Å; V380-A389 HydrophobicContact CG2-CB 3.68Å; V384-A389 HydrophobicContact CB-CB 4.48Å; V384-A389 HydrophobicContact CG1-CB 4.13Å; P385-A389 PolarHBondContact O-N 2.79Å; F386-A389 PolarHBondContact O-N 3.16Å; A389-L392 PolarHBondContact O-N 2.86Å; A389-S393 PolarHBondContact O-N 3.15Å; A389-S393 PolarHBondContact O-OG 3.33Å
390	H	87.7	Confident	87.1	Confident	113 Å²	113	68.7 Å²	68.7	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-39.1	174.7	-178.1	-78.1	0	0	0	112.1	F386 E388 L392 S393 G394	F386-H390 VanDerWaalsContact O-CB 3.31Å; F386-H390 WeakPolarHBondContact O-CB 3.42Å; F386-H390 PolarHBondContact O-N 2.78Å; E388-H390 VanDerWaalsContact C-N 3.33Å; E388-H390 PolarHBondContact O-N 3.22Å; H390-L392 VanDerWaalsContact C-N 3.31Å; H390-S393 WeakPolarHBondContact CA-OG 3.16Å; H390-S393 PolarHBondContact O-OG 2.82Å; H390-S393 VanDerWaalsContact O-OG 3.04Å; H390-G394 PolarHBondContact O-N 3.27Å
391	G	86.3	Confident	86.8	Confident	37 Å²	37	72.5 Å²	72.5	38%	0.381	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-39	172.8	0	0	0	0	0	112.3	R387 E388 K395	R387-G391 PolarHBondContact O-N 3.04Å; R387-G391 VanDerWaalsContact O-N 3.11Å; E388-G391 PolarHBondContact O-N 3.1Å; E388-G391 VanDerWaalsContact O-N 3.13Å; G391-K395 WeakPolarHBondContact O-CG 3.23Å; G391-K395 PolarHBondContact O-N 3.25Å; G391-K395 VanDerWaalsContact O-N 3.11Å
392	L	85.1	Confident	86.7	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-40.9	177.1	-67.9	170	0	0	0	112.3	L379 V384 E388 A389 H390 K395 A396 I418	L379-L392 HydrophobicContact CD1-CB 3.73Å; L379-L392 HydrophobicContact CD1-CD1 3.77Å; L379-L392 HydrophobicContact CD1-CG 4.41Å; V384-L392 HydrophobicContact CG1-CD1 4.5Å; E388-L392 HydrophobicContact CG-CD1 4.27Å; E388-L392 VanDerWaalsContact O-CG 3.3Å; E388-L392 WeakPolarHBondContact O-CG 3.36Å; E388-L392 PolarHBondContact O-N 2.85Å; A389-L392 PolarHBondContact O-N 2.86Å; H390-L392 VanDerWaalsContact C-N 3.31Å; L392-K395 WeakPolarHBondContact O-CB 3.49Å; L392-K395 PolarHBondContact O-N 2.91Å; L392-A396 PolarHBondContact O-N 3.01Å; L392-I418 HydrophobicContact CB-CG2 4.27Å; L392-I418 HydrophobicContact CD2-CG2 3.93Å
393	S	86.4	Confident	86.6	Confident	7 Å²	7	70.1 Å²	70.1	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-66.6	-37.7	174.2	67.9	0	0	0	0	111.9	A372 A389 H390 K395 A396 V397	A372-S393 WeakPolarHBondContact O-CB 3.29Å; A389-S393 PolarHBondContact O-N 3.15Å; A389-S393 PolarHBondContact O-OG 3.33Å; H390-S393 WeakPolarHBondContact CA-OG 3.16Å; H390-S393 PolarHBondContact O-OG 2.82Å; H390-S393 VanDerWaalsContact O-OG 3.04Å; S393-K395 VanDerWaalsContact C-N 3.31Å; S393-K395 PolarHBondContact O-N 2.87Å; S393-A396 WeakPolarHBondContact O-CA 3.48Å; S393-A396 WeakPolarHBondContact O-CB 3.5Å; S393-A396 PolarHBondContact O-N 3.37Å; S393-V397 WeakPolarHBondContact O-CG2 3.4Å; S393-V397 PolarHBondContact O-N 3.17Å
394	G	86.9	Confident	86.3	Confident	37 Å²	37	74.4 Å²	74.4	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-38.6	172.2	0	0	0	0	0	112.9	H390 A396 V397 F398	H390-G394 PolarHBondContact O-N 3.27Å; G394-A396 VanDerWaalsContact C-N 3.33Å; G394-V397 PolarHBondContact O-N 3.3Å; G394-F398 WeakPolarHBondContact O-CB 3.35Å; G394-F398 PolarHBondContact O-N 3.16Å
395	K	86.3	Confident	86.2	Confident	131 Å²	131	76.2 Å²	76.2	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-65.3	-35.3	172.1	-72.2	174.8	-175.9	179.1	0	112.4	G391 L392 S393 F398 A399 I418	G391-K395 WeakPolarHBondContact O-CG 3.23Å; G391-K395 PolarHBondContact O-N 3.25Å; G391-K395 VanDerWaalsContact O-N 3.11Å; L392-K395 WeakPolarHBondContact O-CB 3.49Å; L392-K395 PolarHBondContact O-N 2.91Å; S393-K395 VanDerWaalsContact C-N 3.31Å; S393-K395 PolarHBondContact O-N 2.87Å; K395-F398 PolarHBondContact O-N 3.05Å; K395-A399 WeakPolarHBondContact O-CB 3.49Å; K395-A399 PolarHBondContact O-N 3.13Å; K395-I418 HydrophobicContact CB-CG2 4.3Å
396	A	84.3	Confident	85.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-43.3	175.4	0	0	0	0	0	111.7	L375 L392 S393 G394 A399 A400 L407 L410 I418	L375-A396 HydrophobicContact CD2-CB 3.74Å; L392-A396 PolarHBondContact O-N 3.01Å; S393-A396 WeakPolarHBondContact O-CA 3.48Å; S393-A396 WeakPolarHBondContact O-CB 3.5Å; S393-A396 PolarHBondContact O-N 3.37Å; G394-A396 VanDerWaalsContact C-N 3.33Å; A396-A399 PolarHBondContact O-N 3.24Å; A396-A400 PolarHBondContact O-N 3.34Å; A396-L407 HydrophobicContact CB-CD1 4.2Å; A396-L410 HydrophobicContact CB-CD1 4.35Å; A396-I418 HydrophobicContact CB-CD1 3.78Å
397	V	86.2	Confident	85.3	Confident	37 Å²	37	69.7 Å²	69.7	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-48.2	173	175.6	0	0	0	0	110.7	A372 S393 G394 A399 A400 E401 L407	A372-V397 HydrophobicContact CB-CG2 3.6Å; S393-V397 WeakPolarHBondContact O-CG2 3.4Å; S393-V397 PolarHBondContact O-N 3.17Å; G394-V397 PolarHBondContact O-N 3.3Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 3.38Å; V397-A400 WeakPolarHBondContact O-CB 3.2Å; V397-A400 PolarHBondContact O-N 3.25Å; V397-A400 VanDerWaalsContact O-N 3.14Å; V397-E401 HydrophobicContact CG1-CG 4.46Å; V397-E401 WeakPolarHBondContact O-CG 3.36Å; V397-E401 PolarHBondContact O-N 3.21Å; V397-L407 HydrophobicContact CG2-CD1 4.23Å
398	F	86.3	Confident	85	Confident	136 Å²	136	62 Å²	62	60%	0.596	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-38.6	177.2	-179.4	-96.2	0	0	0	113	G394 K395 S402	G394-F398 WeakPolarHBondContact O-CB 3.35Å; G394-F398 PolarHBondContact O-N 3.16Å; K395-F398 PolarHBondContact O-N 3.05Å; F398-S402 WeakPolarHBondContact CE1-OG 3.27Å; F398-S402 VanDerWaalsContact O-CB 3.26Å; F398-S402 WeakPolarHBondContact O-CB 3.41Å; F398-S402 PolarHBondContact O-N 3.33Å; F398-S402 PolarHBondContact O-OG 3.23Å
399	A	84.3	Confident	84.6	Confident	26 Å²	26	62.2 Å²	62.2	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-38.6	176.3	0	0	0	0	0	112.2	K395 A396 V397 K403	K395-A399 WeakPolarHBondContact O-CB 3.49Å; K395-A399 PolarHBondContact O-N 3.13Å; A396-A399 PolarHBondContact O-N 3.24Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 3.38Å; A399-K403 WeakPolarHBondContact O-CB 3.41Å; A399-K403 WeakPolarHBondContact O-CG 3.12Å; A399-K403 PolarHBondContact O-N 2.94Å; A399-K403 VanDerWaalsContact O-N 3.15Å
400	A	85.1	Confident	84.2	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-47.8	174.9	0	0	0	0	0	111.4	A396 V397 S402 K403 N404 V405 L407 L410	A396-A400 PolarHBondContact O-N 3.34Å; V397-A400 WeakPolarHBondContact O-CB 3.2Å; V397-A400 PolarHBondContact O-N 3.25Å; V397-A400 VanDerWaalsContact O-N 3.14Å; A400-S402 PolarHBondContact O-N 3.39Å; A400-K403 CarbonylContact O-C 3.56Å; A400-K403 PolarHBondContact O-N 3.34Å; A400-N404 PolarHBondContact O-N 2.9Å; A400-V405 CarbonylContact C-O 3.43Å; A400-V405 WeakPolarHBondContact CB-O 3.38Å; A400-V405 PolarHBondContact O-N 3.13Å; A400-L407 HydrophobicContact CB-CD1 4.16Å; A400-L410 HydrophobicContact CB-CD1 4.21Å; A400-L410 HydrophobicContact CB-CD2 4.22Å; A400-L410 HydrophobicContact CB-CG 4.26Å
401	E	85.9	Confident	83.8	Confident	134 Å²	134	61 Å²	61	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-45.2	175.6	-71.9	-179.7	164.2	0	0	112.1	V397 K403 N404	V397-E401 HydrophobicContact CG1-CG 4.46Å; V397-E401 WeakPolarHBondContact O-CG 3.36Å; V397-E401 PolarHBondContact O-N 3.21Å; E401-K403 PolarHBondContact O-N 3.25Å; E401-N404 PolarHBondContact O-N 3.27Å
402	S	85.7	Confident	83.3	Confident	80 Å²	80	65.3 Å²	65.3	56%	0.559	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-30.1	179.7	-63.1	0	0	0	0	112.9	F398 A400	F398-S402 WeakPolarHBondContact CE1-OG 3.27Å; F398-S402 VanDerWaalsContact O-CB 3.26Å; F398-S402 WeakPolarHBondContact O-CB 3.41Å; F398-S402 PolarHBondContact O-N 3.33Å; F398-S402 PolarHBondContact O-OG 3.23Å; A400-S402 PolarHBondContact O-N 3.39Å
403	K	84.1	Confident	82.9	Confident	106 Å²	106	67.8 Å²	67.8	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-91	-4.5	175.5	-69.7	-174.7	-176.3	-164.1	0	113	A399 A400 E401 V405 D414	A399-K403 WeakPolarHBondContact O-CB 3.41Å; A399-K403 WeakPolarHBondContact O-CG 3.12Å; A399-K403 PolarHBondContact O-N 2.94Å; A399-K403 VanDerWaalsContact O-N 3.15Å; A400-K403 CarbonylContact O-C 3.56Å; A400-K403 PolarHBondContact O-N 3.34Å; E401-K403 PolarHBondContact O-N 3.25Å; K403-V405 HydrophobicContact CB-CG1 4.4Å; K403-V405 HydrophobicContact CB-CG2 3.88Å; K403-V405 PolarHBondContact O-N 3.04Å; K403-D414 IonicContact NZ-OD1 2.64Å; K403-D414 PolarHBondContact NZ-OD1 2.99Å; K403-D414 IonicContact NZ-OD2 2.79Å; K403-D414 PolarHBondContact NZ-OD2 3.41Å
404	N	82.2	Confident	82.6	Confident	155 Å²	155	69.5 Å²	69.5	83%	0.829	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	40.5	-174.4	-156.7	34.6	0	0	0	112.9	A400 E401	A400-N404 PolarHBondContact O-N 2.9Å; E401-N404 PolarHBondContact O-N 3.27Å
405	V	85.8	Confident	82.2	Confident	52 Å²	52	67.9 Å²	67.9	32%	0.315	36%	0.363	S	S	.	.			trans	-120.6	155.7	177.2	-61.5	0	0	0	0	110.1	A400 K403 Q409 L410	A400-V405 CarbonylContact C-O 3.43Å; A400-V405 WeakPolarHBondContact CB-O 3.38Å; A400-V405 PolarHBondContact O-N 3.13Å; K403-V405 HydrophobicContact CB-CG1 4.4Å; K403-V405 HydrophobicContact CB-CG2 3.88Å; K403-V405 PolarHBondContact O-N 3.04Å; V405-Q409 HydrophobicContact CB-CB 4.16Å; V405-L410 HydrophobicContact CG2-CD2 4.14Å
406	S	81.2	Confident	81.9	Confident	46 Å²	46	64 Å²	64	32%	0.322	36%	0.355	S	S	.	.			trans	-69.7	153.9	174.9	-62.7	0	0	0	0	111.5	N408 Q409	S406-N408 WeakPolarHBondContact CB-OD1 3.38Å; S406-N408 PolarHBondContact O-N 3.05Å; S406-N408 VanDerWaalsContact O-N 3.13Å; S406-Q409 WeakPolarHBondContact O-CB 3.3Å; S406-Q409 PolarHBondContact O-N 3.28Å
407	L	79.9	Confident	81.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.4	-176.5	-167.6	67.1	0	0	0	113.3	P368 A372 A396 V397 A400 Q409 L410 W430	P368-L407 HydrophobicContact CB-CB 4.38Å; A372-L407 HydrophobicContact CB-CD2 3.87Å; A396-L407 HydrophobicContact CB-CD1 4.2Å; V397-L407 HydrophobicContact CG2-CD1 4.23Å; A400-L407 HydrophobicContact CB-CD1 4.16Å; L407-Q409 VanDerWaalsContact C-N 3.28Å; L407-Q409 PolarHBondContact O-N 2.99Å; L407-L410 HydrophobicContact CD1-CD1 3.92Å; L407-W430 HydrophobicContact CB-CH2 4.45Å; L407-W430 HydrophobicContact CB-CZ3 4.17Å; L407-W430 HydrophobicContact CD2-CH2 4.11Å; L407-W430 HydrophobicContact CD2-CZ3 3.79Å; L407-W430 HydrophobicContact CG-CH2 3.68Å; L407-W430 HydrophobicContact CG-CZ3 3.67Å; L407-W430 VanDerWaalsContact O-CH2 3.32Å; L407-W430 WeakPolarHBondContact O-CH2 3.32Å
408	N	79.6	Confident	81.5	Confident	67 Å²	67	68.2 Å²	68.2	36%	0.358	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-76	-7.4	176.2	64.8	-21	0	0	0	114.8	P368 S406 W430	P368-N408 HydrophobicContact CB-CB 4.27Å; S406-N408 WeakPolarHBondContact CB-OD1 3.38Å; S406-N408 PolarHBondContact O-N 3.05Å; S406-N408 VanDerWaalsContact O-N 3.13Å; N408-W430 HydrophobicContact CB-CB 4.21Å; N408-W430 HydrophobicContact CB-CD2 3.72Å; N408-W430 HydrophobicContact CB-CE3 3.8Å; N408-W430 HydrophobicContact CB-CG 3.88Å
409	Q	80.9	Confident	81.2	Confident	120 Å²	120	62.1 Å²	62.1	56%	0.561	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-99.5	-0.4	178.4	-65.1	174.8	-17.9	0	0	112.6	V405 S406 L407 T411	V405-Q409 HydrophobicContact CB-CB 4.16Å; S406-Q409 WeakPolarHBondContact O-CB 3.3Å; S406-Q409 PolarHBondContact O-N 3.28Å; L407-Q409 VanDerWaalsContact C-N 3.28Å; L407-Q409 PolarHBondContact O-N 2.99Å; Q409-T411 PolarHBondContact O-N 3.21Å
410	L	78.3	Confident	81	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.058	39%	0.39	C	S	.	.			trans	-63.7	132.4	171.1	-69.4	179	0	0	0	110.1	A396 A400 V405 L407 D414 L415	A396-L410 HydrophobicContact CB-CD1 4.35Å; A400-L410 HydrophobicContact CB-CD1 4.21Å; A400-L410 HydrophobicContact CB-CD2 4.22Å; A400-L410 HydrophobicContact CB-CG 4.26Å; V405-L410 HydrophobicContact CG2-CD2 4.14Å; L407-L410 HydrophobicContact CD1-CD1 3.92Å; L410-D414 HydrophobicContact CD2-CB 4.49Å; L410-L415 HydrophobicContact CB-CD2 4.28Å; L410-L415 HydrophobicContact CB-CG 4.23Å; L410-L415 HydrophobicContact CD1-CD2 3.99Å
411	T	80	Confident	80.7	Confident	75 Å²	75	69.9 Å²	69.9	46%	0.46	41%	0.406	S	S	.	.			trans	-71.8	156.3	178.9	64.8	0	0	0	0	110.9	Q409 A413 D414 L415	Q409-T411 PolarHBondContact O-N 3.21Å; T411-A413 PolarHBondContact O-N 3.01Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 WeakPolarHBondContact O-CB 3.36Å; T411-D414 PolarHBondContact O-N 3.29Å; T411-D414 PolarHBondContact OG1-N 3.3Å; T411-D414 PolarHBondContact OG1-OD2 3.39Å; T411-L415 PolarHBondContact O-N 3.38Å
412	E	75.8	Confident	80.3	Confident	128 Å²	128	64.3 Å²	64.3	60%	0.598	38%	0.38	S	S	*	.	H	α-helix	trans	-56.8	-33.2	174.4	-66.1	-175	167.7	0	0	112.1	L415 A416	E412-L415 PolarHBondContact O-N 3.33Å; E412-A416 WeakPolarHBondContact O-CB 3.38Å; E412-A416 PolarHBondContact O-N 3.39Å
413	A	76.6	Confident	79.8	Confident	72 Å²	72	61.8 Å²	61.8	60%	0.595	37%	0.366	S	S	*	.	H	α-helix	trans	-65.5	-37.6	174.9	0	0	0	0	0	112.5	T411 A417	T411-A413 PolarHBondContact O-N 3.01Å; A413-A417 WeakPolarHBondContact O-CB 3.39Å; A413-A417 PolarHBondContact O-N 3.3Å
414	D	79.1	Confident	79.3	Confident	43 Å²	43	60.9 Å²	60.9	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-69.1	-40.3	176.5	-66.1	-44.1	0	0	0	111.8	K403 L410 T411 A417 I418	K403-D414 IonicContact NZ-OD1 2.64Å; K403-D414 PolarHBondContact NZ-OD1 2.99Å; K403-D414 IonicContact NZ-OD2 2.79Å; K403-D414 PolarHBondContact NZ-OD2 3.41Å; L410-D414 HydrophobicContact CD2-CB 4.49Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 WeakPolarHBondContact O-CB 3.36Å; T411-D414 PolarHBondContact O-N 3.29Å; T411-D414 PolarHBondContact OG1-N 3.3Å; T411-D414 PolarHBondContact OG1-OD2 3.39Å; D414-A417 PolarHBondContact O-N 2.89Å; D414-I418 WeakPolarHBondContact O-CG1 3.32Å; D414-I418 PolarHBondContact O-N 3.13Å
415	L	79.1	Confident	79.1	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-42.2	176.2	-66.1	172.6	0	0	0	111.2	L410 T411 E412 A417 I418 S419 F422 V426 W430	L410-L415 HydrophobicContact CB-CD2 4.28Å; L410-L415 HydrophobicContact CB-CG 4.23Å; L410-L415 HydrophobicContact CD1-CD2 3.99Å; T411-L415 PolarHBondContact O-N 3.38Å; E412-L415 PolarHBondContact O-N 3.33Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.42Å; L415-I418 WeakPolarHBondContact O-CB 3.27Å; L415-I418 PolarHBondContact O-N 3.13Å; L415-S419 PolarHBondContact O-N 2.87Å; L415-S419 VanDerWaalsContact O-N 3.08Å; L415-F422 HydrophobicContact CB-CB 4.16Å; L415-F422 HydrophobicContact CB-CD2 4.33Å; L415-F422 HydrophobicContact CB-CG 4.26Å; L415-F422 VanDerWaalsContact O-CD2 3.24Å; L415-F422 WeakPolarHBondContact O-CD2 3.49Å; L415-V426 HydrophobicContact CD1-CG1 3.87Å; L415-V426 HydrophobicContact CD1-CG2 4.4Å; L415-W430 HydrophobicContact CD1-CZ2 4.23Å
416	A	79.3	Confident	78.6	Confident	48 Å²	48	55 Å²	55	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-32.4	175.5	0	0	0	0	0	112.8	E412 I418 S419	E412-A416 WeakPolarHBondContact O-CB 3.38Å; E412-A416 PolarHBondContact O-N 3.39Å; A416-I418 VanDerWaalsContact C-N 3.25Å; A416-I418 PolarHBondContact O-N 2.67Å; A416-S419 CarbonylContact O-C 3.59Å
417	A	80.9	Confident	78.3	Confident	88 Å²	88	56.2 Å²	56.2	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-66.8	-25.9	173.9	0	0	0	0	0	113	A413 D414 L415	A413-A417 WeakPolarHBondContact O-CB 3.39Å; A413-A417 PolarHBondContact O-N 3.3Å; D414-A417 PolarHBondContact O-N 2.89Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.42Å
418	I	81.2	Confident	78.2	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.195	37%	0.37	C	S	.	.	H	α-helix	trans	-82.8	-45.2	176.9	-63.7	167.2	0	0	0	110.6	L392 K395 A396 D414 L415 A416 F422	L392-I418 HydrophobicContact CB-CG2 4.27Å; L392-I418 HydrophobicContact CD2-CG2 3.93Å; K395-I418 HydrophobicContact CB-CG2 4.3Å; A396-I418 HydrophobicContact CB-CD1 3.78Å; D414-I418 WeakPolarHBondContact O-CG1 3.32Å; D414-I418 PolarHBondContact O-N 3.13Å; L415-I418 WeakPolarHBondContact O-CB 3.27Å; L415-I418 PolarHBondContact O-N 3.13Å; A416-I418 VanDerWaalsContact C-N 3.25Å; A416-I418 PolarHBondContact O-N 2.67Å; I418-F422 HydrophobicContact CB-CE2 4.5Å; I418-F422 HydrophobicContact CG2-CE2 4.29Å
419	S	80.8	Confident	78.3	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.063	36%	0.355	C	S	.	.			trans	-151.5	134.9	174.1	-179.2	0	0	0	0	111.7	L415 A416 L421 F422	L415-S419 PolarHBondContact O-N 2.87Å; L415-S419 VanDerWaalsContact O-N 3.08Å; A416-S419 CarbonylContact O-C 3.59Å; S419-L421 PolarHBondContact O-N 2.96Å; S419-L421 VanDerWaalsContact O-N 3.1Å; S419-L421 PolarHBondContact OG-N 3.4Å; S419-F422 WeakPolarHBondContact O-CD2 3.01Å; S419-F422 PolarHBondContact O-N 3.28Å
420	P	78.8	Confident	78.4	Confident	120 Å²	120	52.8 Å²	52.8	78%	0.779	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-9.5	176.8	30.3	-36.3	0	0	0	113.1	F422	P420-F422 VanDerWaalsContact C-N 3.34Å
421	L	80.1	Confident	78.8	Confident	73 Å²	73	56 Å²	56	38%	0.382	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.4	179.1	-63.8	175	0	0	0	113.1	L379 K382 V384 S419 G423	L379-L421 HydrophobicContact CD2-CB 4.09Å; K382-L421 HydrophobicContact CD-CB 4.35Å; K382-L421 WeakPolarHBondContact CD-O 3.15Å; K382-L421 WeakPolarHBondContact CE-O 3.05Å; K382-L421 PolarHBondContact NZ-O 3.24Å; V384-L421 HydrophobicContact CG2-CD1 3.32Å; S419-L421 PolarHBondContact O-N 2.96Å; S419-L421 VanDerWaalsContact O-N 3.1Å; S419-L421 PolarHBondContact OG-N 3.4Å; L421-G423 PolarHBondContact O-N 3.36Å
422	F	78.2	Confident	79.2	Confident	17 Å²	17	54.9 Å²	54.9	8%	0.075	34%	0.341	C	S	.	.			trans	-73.5	112.2	170.3	-70.9	-63.8	0	0	0	110.1	L375 Y378 L379 L415 I418 S419 P420 V426	L375-F422 HydrophobicContact CD1-CD1 4.14Å; L375-F422 HydrophobicContact CD1-CE1 3.42Å; L375-F422 VanDerWaalsContact CD1-CE1 3.42Å; L375-F422 HydrophobicContact CD1-CZ 4.08Å; L375-F422 HydrophobicContact CD2-CE1 4.32Å; L375-F422 HydrophobicContact CD2-CZ 4.13Å; L375-F422 HydrophobicContact CG-CE1 3.66Å; L375-F422 HydrophobicContact CG-CZ 3.86Å; Y378-F422 AromaticContact CD1-CD1 3.96Å; Y378-F422 HydrophobicContact CD1-CD1 3.96Å; Y378-F422 HydrophobicContact CD1-CE1 4.03Å; Y378-F422 AromaticContact CE1-CD1 3.77Å; Y378-F422 HydrophobicContact CE1-CD1 3.77Å; Y378-F422 HydrophobicContact CE1-CE1 4.31Å; L379-F422 HydrophobicContact CD1-CE1 4.11Å; L379-F422 HydrophobicContact CD1-CE2 4.05Å; L379-F422 HydrophobicContact CD1-CZ 3.49Å; L379-F422 VanDerWaalsContact CD1-CZ 3.49Å; L379-F422 HydrophobicContact CD2-CD1 4.08Å; L379-F422 HydrophobicContact CD2-CD2 4.38Å; L379-F422 HydrophobicContact CD2-CE1 3.71Å; L379-F422 HydrophobicContact CD2-CE2 4.07Å; L379-F422 HydrophobicContact CD2-CG 4.41Å; L379-F422 HydrophobicContact CD2-CZ 3.74Å; L379-F422 HydrophobicContact CG-CE1 3.75Å; L379-F422 HydrophobicContact CG-CE2 4.39Å; L379-F422 HydrophobicContact CG-CZ 3.67Å; L415-F422 HydrophobicContact CB-CB 4.16Å; L415-F422 HydrophobicContact CB-CD2 4.33Å; L415-F422 HydrophobicContact CB-CG 4.26Å; L415-F422 VanDerWaalsContact O-CD2 3.24Å; L415-F422 WeakPolarHBondContact O-CD2 3.49Å; I418-F422 HydrophobicContact CB-CE2 4.5Å; I418-F422 HydrophobicContact CG2-CE2 4.29Å; S419-F422 WeakPolarHBondContact O-CD2 3.01Å; S419-F422 PolarHBondContact O-N 3.28Å; P420-F422 VanDerWaalsContact C-N 3.34Å; F422-V426 HydrophobicContact CD1-CB 4.49Å; F422-V426 HydrophobicContact CD1-CG2 3.83Å; F422-V426 HydrophobicContact CE1-CG2 4.3Å
423	G	75.2	Confident	79.8	Confident	26 Å²	26	54.1 Å²	54.1	27%	0.268	33%	0.333	S	S	.	.			trans	-102	180	175.6	0	0	0	0	0	111.9	Y378 L421 D425 V426	Y378-G423 PolarHBondContact OH-N 3.26Å; L421-G423 PolarHBondContact O-N 3.36Å; G423-D425 VanDerWaalsContact C-OD1 3.3Å; G423-D425 WeakPolarHBondContact CA-OD1 3.33Å; G423-D425 PolarHBondContact O-N 3Å; G423-V426 WeakPolarHBondContact O-CB 3.47Å; G423-V426 WeakPolarHBondContact O-CG1 3.48Å; G423-V426 PolarHBondContact O-N 2.92Å
424	S	72.4	Confident	80.3	Confident	87 Å²	87	52.7 Å²	52.7	61%	0.608	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.2	-18.6	177.5	52.6	0	0	0	0	113.9	V426 S427	S424-V426 PolarHBondContact O-N 3.05Å; S424-S427 PolarHBondContact O-N 2.97Å; S424-S427 PolarHBondContact O-OG 3.49Å
425	D	77.8	Confident	80.8	Confident	79 Å²	79	50.7 Å²	50.7	42%	0.422	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-70.3	-11.2	172.4	60.5	-35.6	0	0	0	113.3	Y378 K382 G423 S427 S428	Y378-D425 VanDerWaalsContact CE2-OD2 3.26Å; Y378-D425 WeakPolarHBondContact CE2-OD2 3.38Å; Y378-D425 PolarHBondContact OH-OD1 3.26Å; Y378-D425 PolarHBondContact OH-OD2 3.48Å; K382-D425 IonicContact NZ-OD1 3.57Å; K382-D425 IonicContact NZ-OD2 3.8Å; G423-D425 VanDerWaalsContact C-OD1 3.3Å; G423-D425 WeakPolarHBondContact CA-OD1 3.33Å; G423-D425 PolarHBondContact O-N 3Å; D425-S427 PolarHBondContact O-N 2.87Å; D425-S428 PolarHBondContact O-N 3.36Å; D425-S428 PolarHBondContact O-OG 3.2Å
426	V	76.3	Confident	81.5	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.03	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.2	174	76.6	0	0	0	0	112.2	L375 L415 F422 G423 S424 S428 V429	L375-V426 HydrophobicContact CD1-CG2 3.47Å; L375-V426 VanDerWaalsContact CD1-CG2 3.47Å; L415-V426 HydrophobicContact CD1-CG1 3.87Å; L415-V426 HydrophobicContact CD1-CG2 4.4Å; F422-V426 HydrophobicContact CD1-CB 4.49Å; F422-V426 HydrophobicContact CD1-CG2 3.83Å; F422-V426 HydrophobicContact CE1-CG2 4.3Å; G423-V426 WeakPolarHBondContact O-CB 3.47Å; G423-V426 WeakPolarHBondContact O-CG1 3.48Å; G423-V426 PolarHBondContact O-N 2.92Å; S424-V426 PolarHBondContact O-N 3.05Å; V426-S428 PolarHBondContact O-N 2.98Å; V426-V429 HydrophobicContact CG2-CG2 4.5Å; V426-V429 VanDerWaalsContact O-CB 3.25Å; V426-V429 WeakPolarHBondContact O-CB 3.25Å; V426-V429 WeakPolarHBondContact O-CG2 3.31Å; V426-V429 PolarHBondContact O-N 3.24Å
427	S	74.8	Confident	82.2	Confident	72 Å²	72	51.8 Å²	51.8	50%	0.503	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26.6	178.4	57.7	0	0	0	0	113.5	S424 D425 V429 W430	S424-S427 PolarHBondContact O-N 2.97Å; S424-S427 PolarHBondContact O-OG 3.49Å; D425-S427 PolarHBondContact O-N 2.87Å; S427-V429 PolarHBondContact O-N 3.19Å; S427-W430 PolarHBondContact O-N 3.05Å
428	S	77.3	Confident	82.6	Confident	63 Å²	63	49.6 Å²	49.6	44%	0.441	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-71.8	-19.4	176.4	72.6	0	0	0	0	113.1	D425 V426 W430 D431 S434	D425-S428 PolarHBondContact O-N 3.36Å; D425-S428 PolarHBondContact O-OG 3.2Å; V426-S428 PolarHBondContact O-N 2.98Å; S428-W430 PolarHBondContact O-N 3.37Å; S428-D431 PolarHBondContact O-N 3.47Å; S428-S434 WeakPolarHBondContact O-CB 3.18Å
429	V	81.2	Confident	83.2	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.036	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.6	-25.4	176.4	178	0	0	0	0	111.2	L371 D374 Y378 V426 S427 D431	L371-V429 WeakPolarHBondContact CD1-O 3.5Å; D374-V429 HydrophobicContact CB-CG1 3.6Å; Y378-V429 HydrophobicContact CD2-CG2 4.11Å; Y378-V429 HydrophobicContact CG-CG2 4.37Å; V426-V429 HydrophobicContact CG2-CG2 4.5Å; V426-V429 VanDerWaalsContact O-CB 3.25Å; V426-V429 WeakPolarHBondContact O-CB 3.25Å; V426-V429 WeakPolarHBondContact O-CG2 3.31Å; V426-V429 PolarHBondContact O-N 3.24Å; S427-V429 PolarHBondContact O-N 3.19Å; V429-D431 PolarHBondContact O-N 2.98Å
430	W	82.6	Confident	83.8	Confident	45 Å²	45	53.6 Å²	53.6	17%	0.17	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-73.5	-10.1	-179.8	-52.2	130.1	0	0	0	114.1	L371 L375 L407 N408 L415 S427 S428	L371-W430 HydrophobicContact CB-CE3 4.41Å; L371-W430 HydrophobicContact CB-CZ3 4.42Å; L371-W430 HydrophobicContact CD1-CE3 4.2Å; L375-W430 HydrophobicContact CD1-CH2 4.29Å; L407-W430 HydrophobicContact CB-CH2 4.45Å; L407-W430 HydrophobicContact CB-CZ3 4.17Å; L407-W430 HydrophobicContact CD2-CH2 4.11Å; L407-W430 HydrophobicContact CD2-CZ3 3.79Å; L407-W430 HydrophobicContact CG-CH2 3.68Å; L407-W430 HydrophobicContact CG-CZ3 3.67Å; L407-W430 VanDerWaalsContact O-CH2 3.32Å; L407-W430 WeakPolarHBondContact O-CH2 3.32Å; N408-W430 HydrophobicContact CB-CB 4.21Å; N408-W430 HydrophobicContact CB-CD2 3.72Å; N408-W430 HydrophobicContact CB-CE3 3.8Å; N408-W430 HydrophobicContact CB-CG 3.88Å; L415-W430 HydrophobicContact CD1-CZ2 4.23Å; S427-W430 PolarHBondContact O-N 3.05Å; S428-W430 PolarHBondContact O-N 3.37Å
431	D	86.9	Confident	84.5	Confident	79 Å²	79	51.3 Å²	51.3	42%	0.422	29%	0.294	S	S	.	.			trans	-86	116.1	174.2	179.8	14.6	0	0	0	111	S428 V429 R433 S434 S435	S428-D431 PolarHBondContact O-N 3.47Å; V429-D431 PolarHBondContact O-N 2.98Å; D431-R433 PolarHBondContact O-N 3.08Å; D431-R433 VanDerWaalsContact O-N 3.17Å; D431-R433 WeakPolarHBondContact OD1-CB 3.36Å; D431-R433 PolarHBondContact OD1-N 2.87Å; D431-S434 WeakPolarHBondContact O-CA 3.5Å; D431-S434 WeakPolarHBondContact O-CB 3.37Å; D431-S434 PolarHBondContact O-N 2.79Å; D431-S435 PolarHBondContact O-N 3.4Å
432	Y	88.7	Confident	85.1	Confident	51 Å²	51	53.9 Å²	53.9	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-28.3	175.1	-56.2	-62.3	0	0	0	113	P167 L366 P368 L371 S435 V436	P167-Y432 HydrophobicContact CG-CD1 4.46Å; L366-Y432 HydrophobicContact CB-CD1 4.16Å; L366-Y432 HydrophobicContact CB-CD2 4.14Å; L366-Y432 HydrophobicContact CB-CE1 3.91Å; L366-Y432 HydrophobicContact CB-CE2 3.88Å; L366-Y432 HydrophobicContact CB-CG 4.29Å; L366-Y432 HydrophobicContact CD1-CD1 4.2Å; L366-Y432 HydrophobicContact CD1-CD2 3.79Å; L366-Y432 HydrophobicContact CD1-CE2 4.36Å; L366-Y432 HydrophobicContact CD1-CG 3.71Å; P368-Y432 WeakPolarHBondContact CD-OH 3.34Å; P368-Y432 VanDerWaalsContact N-OH 3.1Å; L371-Y432 HydrophobicContact CD1-CD1 3.89Å; L371-Y432 HydrophobicContact CD1-CE1 3.62Å; L371-Y432 HydrophobicContact CD2-CD1 3.96Å; L371-Y432 HydrophobicContact CD2-CE1 4.31Å; L371-Y432 HydrophobicContact CG-CD1 4.1Å; L371-Y432 HydrophobicContact CG-CE1 3.94Å; Y432-S435 WeakPolarHBondContact O-CB 3.49Å; Y432-S435 PolarHBondContact O-N 3.45Å; Y432-V436 PolarHBondContact O-N 3.18Å; Y432-V436 VanDerWaalsContact O-N 3.16Å
433	R	88.7	Confident	85.7	Confident	113 Å²	113	55.3 Å²	55.3	43%	0.426	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-43.4	174.7	-63.5	177.1	178.7	-87.1	-10.5	110.6	L155 E363 D431 S435 V436 E437	L155-R433 HydrophobicContact CD1-CG 3.99Å; E363-R433 IonicContact OE1-NH2 3.64Å; D431-R433 PolarHBondContact O-N 3.08Å; D431-R433 VanDerWaalsContact O-N 3.17Å; D431-R433 WeakPolarHBondContact OD1-CB 3.36Å; D431-R433 PolarHBondContact OD1-N 2.87Å; R433-S435 PolarHBondContact O-N 2.95Å; R433-V436 WeakPolarHBondContact O-CG2 3.47Å; R433-V436 PolarHBondContact O-N 3.04Å; R433-E437 WeakPolarHBondContact O-CG 3.45Å; R433-E437 PolarHBondContact O-N 3.28Å; R433-E437 VanDerWaalsContact O-N 3.13Å
434	S	87.4	Confident	86.6	Confident	42 Å²	42	54.8 Å²	54.8	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-30.9	173.1	-170	0	0	0	0	112	S428 D431 Q438	S428-S434 WeakPolarHBondContact O-CB 3.18Å; D431-S434 WeakPolarHBondContact O-CA 3.5Å; D431-S434 WeakPolarHBondContact O-CB 3.37Å; D431-S434 PolarHBondContact O-N 2.79Å; S434-Q438 WeakPolarHBondContact O-CG 3.26Å; S434-Q438 PolarHBondContact O-NE2 2.95Å
435	S	90.2	Very high	87.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-56.5	174.3	-174.9	0	0	0	0	111.8	P167 D374 D431 Y432 R433 E437 Q438 Y439	P167-S435 WeakPolarHBondContact CG-OG 3.36Å; D374-S435 PolarHBondContact OD1-OG 3.46Å; D374-S435 WeakPolarHBondContact OD2-CA 3.4Å; D374-S435 WeakPolarHBondContact OD2-CB 3.47Å; D374-S435 PolarHBondContact OD2-OG 2.79Å; D431-S435 PolarHBondContact O-N 3.4Å; Y432-S435 WeakPolarHBondContact O-CB 3.49Å; Y432-S435 PolarHBondContact O-N 3.45Å; R433-S435 PolarHBondContact O-N 2.95Å; S435-E437 VanDerWaalsContact C-N 3.27Å; S435-E437 PolarHBondContact O-N 3.14Å; S435-Q438 WeakPolarHBondContact O-CB 3.26Å; S435-Q438 PolarHBondContact O-N 3.28Å; S435-Q438 VanDerWaalsContact O-N 3.13Å; S435-Y439 WeakPolarHBondContact O-CD2 3.46Å; S435-Y439 VanDerWaalsContact O-CE2 3.27Å; S435-Y439 WeakPolarHBondContact O-CE2 3.47Å
436	V	92.4	Very high	88.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-30.8	-177.9	-63	0	0	0	0	113.4	L155 P167 Y432 R433 Q438 Y439 T445 S446	L155-V436 HydrophobicContact CD1-CG2 4.48Å; L155-V436 HydrophobicContact CD2-CG1 4.07Å; L155-V436 HydrophobicContact CD2-CG2 3.96Å; P167-V436 HydrophobicContact CB-CG1 4.03Å; P167-V436 HydrophobicContact CG-CG1 4.26Å; P167-V436 WeakPolarHBondContact O-CG1 3.49Å; Y432-V436 PolarHBondContact O-N 3.18Å; Y432-V436 VanDerWaalsContact O-N 3.16Å; R433-V436 WeakPolarHBondContact O-CG2 3.47Å; R433-V436 PolarHBondContact O-N 3.04Å; V436-Q438 VanDerWaalsContact C-N 3.27Å; V436-Q438 PolarHBondContact O-N 3.31Å; V436-Y439 PolarHBondContact O-N 3.1Å; V436-T445 HydrophobicContact CB-CG2 3.96Å; V436-T445 HydrophobicContact CG1-CG2 4.1Å; V436-S446 VanDerWaalsContact O-CA 3.27Å; V436-S446 WeakPolarHBondContact O-CA 3.48Å; V436-S446 PolarHBondContact O-N 3.15Å
437	E	93.6	Very high	89.4	Confident	74 Å²	74	50.7 Å²	50.7	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-71.3	-17.9	178.9	-71.9	-52.2	123.8	0	0	114	R169 R433 S435 Y439 K447	R169-E437 IonicContact CZ-OE1 3.15Å; R169-E437 IonicContact NE-OE1 3.74Å; R169-E437 IonicContact NH2-OE1 3.46Å; R169-E437 PolarHBondContact NH2-OE1 3.28Å; R433-E437 WeakPolarHBondContact O-CG 3.45Å; R433-E437 PolarHBondContact O-N 3.28Å; R433-E437 VanDerWaalsContact O-N 3.13Å; S435-E437 VanDerWaalsContact C-N 3.27Å; S435-E437 PolarHBondContact O-N 3.14Å; E437-Y439 PolarHBondContact O-N 2.96Å; E437-K447 WeakPolarHBondContact OE1-CB 3.47Å; E437-K447 PolarHBondContact OE1-N 3.32Å
438	Q	90.9	Very high	90.4	Very high	42 Å²	42	50.7 Å²	50.7	20%	0.196	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.8	174.6	-70.1	170.6	56.1	0	0	112.4	D374 R381 S434 S435 V436 S440	D374-Q438 PolarHBondContact OD2-NE2 2.92Å; R381-Q438 VanDerWaalsContact CZ-OE1 3.29Å; S434-Q438 WeakPolarHBondContact O-CG 3.26Å; S434-Q438 PolarHBondContact O-NE2 2.95Å; S435-Q438 WeakPolarHBondContact O-CB 3.26Å; S435-Q438 PolarHBondContact O-N 3.28Å; S435-Q438 VanDerWaalsContact O-N 3.13Å; V436-Q438 VanDerWaalsContact C-N 3.27Å; V436-Q438 PolarHBondContact O-N 3.31Å; Q438-S440 PolarHBondContact O-N 3.47Å
439	Y	93.2	Very high	91.2	Very high	50 Å²	50	48 Å²	48	20%	0.196	28%	0.282	C	S	.	.			trans	-85.5	57.2	-178.5	-53.3	-83.5	0	0	0	110.8	Q166 S435 V436 E437 G444 T445 S446	Q166-Y439 PolarHBondContact OE1-OH 3.3Å; Q166-Y439 VanDerWaalsContact OE1-OH 3.13Å; S435-Y439 WeakPolarHBondContact O-CD2 3.46Å; S435-Y439 VanDerWaalsContact O-CE2 3.27Å; S435-Y439 WeakPolarHBondContact O-CE2 3.47Å; V436-Y439 PolarHBondContact O-N 3.1Å; E437-Y439 PolarHBondContact O-N 2.96Å; Y439-G444 CarbonylContact O-C 3.51Å; Y439-G444 WeakPolarHBondContact O-CA 3.33Å; Y439-T445 HydrophobicContact CD2-CG2 3.8Å; Y439-T445 HydrophobicContact CG-CG2 4.16Å; Y439-S446 VanDerWaalsContact O-CB 3.23Å; Y439-S446 WeakPolarHBondContact O-CB 3.37Å; Y439-S446 PolarHBondContact O-N 3.07Å; Y439-S446 PolarHBondContact O-OG 2.77Å
440	S	92.6	Very high	91.9	Very high	82 Å²	82	47.8 Å²	47.8	57%	0.573	28%	0.28	S	S	*	.			trans	-79.9	-14.1	-179.6	66	0	0	0	0	114.4	Q438 S446	Q438-S440 PolarHBondContact O-N 3.47Å; S440-S446 VanDerWaalsContact CA-OG 3.29Å; S440-S446 WeakPolarHBondContact CA-OG 3.2Å
441	A	93.4	Very high	92.5	Very high	71 Å²	71	48.1 Å²	48.1	59%	0.587	29%	0.289	S	S	*	.	S	Bend	trans	-60.3	155.5	173.7	0	0	0	0	0	112.1	G443 G444 S449	A441-G443 PolarHBondContact O-N 3.41Å; A441-G444 PolarHBondContact O-N 2.95Å; A441-S449 PolarHBondContact O-OG 3.28Å
442	S	92.9	Very high	92.9	Very high	128 Å²	128	47.4 Å²	47.4	90%	0.895	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	125.8	177.9	-59.2	0	0	0	0	111.3	G444	S442-G444 VanDerWaalsContact C-N 3.33Å
443	G	91.9	Very high	93.3	Very high	47 Å²	47	46.7 Å²	46.7	49%	0.485	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-1.7	-176.2	0	0	0	0	0	114.8	H172 A441 S449	H172-G443 PolarHBondContact CE1-O 2.77Å; A441-G443 PolarHBondContact O-N 3.41Å; G443-S449 PolarHBondContact N-OG 3.31Å
444	G	94.4	Very high	93.6	Very high	15 Å²	15	41.6 Å²	41.6	16%	0.155	27%	0.274	C	S	.	.	S	Bend	trans	-73.6	177	173.4	0	0	0	0	0	114.5	Y439 A441 S442 S449 Q453	Y439-G444 CarbonylContact O-C 3.51Å; Y439-G444 WeakPolarHBondContact O-CA 3.33Å; A441-G444 PolarHBondContact O-N 2.95Å; S442-G444 VanDerWaalsContact C-N 3.33Å; G444-S449 PolarHBondContact N-OG 3.48Å; G444-S449 WeakPolarHBondContact O-CB 3.43Å; G444-S449 PolarHBondContact O-OG 3.19Å; G444-Q453 PolarHBondContact O-NE2 3.37Å; G444-Q453 VanDerWaalsContact O-NE2 3.13Å
445	T	95.1	Very high	94	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.031	28%	0.278	C	S	.	.	S	Bend	trans	-97.6	5.4	-174.9	-158.3	0	0	0	0	114.2	V168 R169 V436 Y439	V168-T445 HydrophobicContact CG1-CG2 4.49Å; R169-T445 WeakPolarHBondContact CD-O 3.35Å; R169-T445 WeakPolarHBondContact CG-O 3.25Å; R169-T445 PolarHBondContact N-OG1 2.94Å; R169-T445 PolarHBondContact NE-O 3.45Å; R169-T445 VanDerWaalsContact NE-O 3.15Å; V436-T445 HydrophobicContact CB-CG2 3.96Å; V436-T445 HydrophobicContact CG1-CG2 4.1Å; Y439-T445 HydrophobicContact CD2-CG2 3.8Å; Y439-T445 HydrophobicContact CG-CG2 4.16Å
446	S	94.9	Very high	94.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-62.9	156	172.4	60	0	0	0	0	112.1	V436 Y439 S440 S448 S449 V450	V436-S446 VanDerWaalsContact O-CA 3.27Å; V436-S446 WeakPolarHBondContact O-CA 3.48Å; V436-S446 PolarHBondContact O-N 3.15Å; Y439-S446 VanDerWaalsContact O-CB 3.23Å; Y439-S446 WeakPolarHBondContact O-CB 3.37Å; Y439-S446 PolarHBondContact O-N 3.07Å; Y439-S446 PolarHBondContact O-OG 2.77Å; S440-S446 VanDerWaalsContact CA-OG 3.29Å; S440-S446 WeakPolarHBondContact CA-OG 3.2Å; S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 2.54Å; S446-S448 PolarHBondContact OG-OG 3.04Å; S446-S449 PolarHBondContact O-N 3.41Å; S446-S449 WeakPolarHBondContact OG-CB 3.4Å; S446-S449 PolarHBondContact OG-N 2.9Å; S446-V450 WeakPolarHBondContact O-CB 3.2Å; S446-V450 WeakPolarHBondContact O-CG2 3.37Å; S446-V450 PolarHBondContact O-N 2.84Å
447	K	94.4	Very high	94.3	Very high	80 Å²	80	49.8 Å²	49.8	35%	0.348	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-40	179.7	-172.4	167.7	-175.7	158.8	0	112	I152 D153 E437 S451	I152-K447 HydrophobicContact CD1-CG 4.01Å; I152-K447 HydrophobicContact CG1-CG 4.34Å; D153-K447 VanDerWaalsContact CG-NZ 3.27Å; D153-K447 IonicContact OD1-NZ 2.64Å; D153-K447 PolarHBondContact OD1-NZ 3.2Å; D153-K447 IonicContact OD2-NZ 3.78Å; D153-K447 PolarHBondContact OD2-NZ 3.2Å; E437-K447 WeakPolarHBondContact OE1-CB 3.47Å; E437-K447 PolarHBondContact OE1-N 3.32Å; K447-S451 VanDerWaalsContact O-CB 3.29Å; K447-S451 WeakPolarHBondContact O-CB 3.31Å; K447-S451 PolarHBondContact O-N 3.22Å; K447-S451 PolarHBondContact O-OG 3.06Å
448	S	95.2	Very high	94.4	Very high	71 Å²	71	49.7 Å²	49.7	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-45	178.2	56.4	0	0	0	0	111.9	S446 S451 A452	S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 2.54Å; S446-S448 PolarHBondContact OG-OG 3.04Å; S448-S451 PolarHBondContact O-N 2.78Å; S448-A452 WeakPolarHBondContact O-CB 3.24Å; S448-A452 PolarHBondContact O-N 3.36Å
449	S	95.1	Very high	94.6	Very high	8 Å²	8	51 Å²	51	6%	0.056	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-42.3	179.1	-166.4	0	0	0	0	112.1	A441 G443 G444 S446 A452 Q453	A441-S449 PolarHBondContact O-OG 3.28Å; G443-S449 PolarHBondContact N-OG 3.31Å; G444-S449 PolarHBondContact N-OG 3.48Å; G444-S449 WeakPolarHBondContact O-CB 3.43Å; G444-S449 PolarHBondContact O-OG 3.19Å; S446-S449 PolarHBondContact O-N 3.41Å; S446-S449 WeakPolarHBondContact OG-CB 3.4Å; S446-S449 PolarHBondContact OG-N 2.9Å; S449-A452 PolarHBondContact O-N 3.49Å; S449-Q453 WeakPolarHBondContact O-CG 3.37Å; S449-Q453 PolarHBondContact O-N 3.3Å; S449-Q453 PolarHBondContact O-NE2 2.71Å
450	V	95.8	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-40.9	176.4	173.7	0	0	0	0	111.1	I152 H172 L175 S446 A452 Q453 V454	I152-V450 HydrophobicContact CD1-CB 4.3Å; I152-V450 HydrophobicContact CD1-CG1 3.95Å; I152-V450 HydrophobicContact CG1-CB 4.48Å; I152-V450 HydrophobicContact CG1-CG1 3.95Å; H172-V450 HydrophobicContact CB-CG2 4.07Å; L175-V450 HydrophobicContact CD1-CG1 3.82Å; S446-V450 WeakPolarHBondContact O-CB 3.2Å; S446-V450 WeakPolarHBondContact O-CG2 3.37Å; S446-V450 PolarHBondContact O-N 2.84Å; V450-A452 VanDerWaalsContact C-N 3.31Å; V450-A452 PolarHBondContact O-N 3.14Å; V450-Q453 WeakPolarHBondContact O-CB 3.46Å; V450-Q453 PolarHBondContact O-N 3.42Å; V450-V454 WeakPolarHBondContact O-CG2 3.48Å; V450-V454 PolarHBondContact O-N 3.27Å
451	S	95.2	Very high	94.6	Very high	53 Å²	53	46.4 Å²	46.4	37%	0.371	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-40	175	-58	0	0	0	0	111.8	I152 K447 S448 V454 E455	I152-S451 WeakPolarHBondContact CD1-OG 3.35Å; K447-S451 VanDerWaalsContact O-CB 3.29Å; K447-S451 WeakPolarHBondContact O-CB 3.31Å; K447-S451 PolarHBondContact O-N 3.22Å; K447-S451 PolarHBondContact O-OG 3.06Å; S448-S451 PolarHBondContact O-N 2.78Å; S451-V454 PolarHBondContact O-N 2.97Å; S451-E455 PolarHBondContact O-N 3.25Å
452	A	95.4	Very high	94.5	Very high	63 Å²	63	49.8 Å²	49.8	52%	0.521	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-37.7	174.7	0	0	0	0	0	112.3	S448 S449 V450 E455 H456	S448-A452 WeakPolarHBondContact O-CB 3.24Å; S448-A452 PolarHBondContact O-N 3.36Å; S449-A452 PolarHBondContact O-N 3.49Å; V450-A452 VanDerWaalsContact C-N 3.31Å; V450-A452 PolarHBondContact O-N 3.14Å; A452-E455 PolarHBondContact O-N 2.99Å; A452-H456 WeakPolarHBondContact O-CB 3.4Å; A452-H456 PolarHBondContact O-N 3.38Å
453	Q	95.9	Very high	94.1	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-42.8	174.6	-70.8	168.1	55.2	0	0	112.1	L175 G444 S449 V450 H456 L457	L175-Q453 HydrophobicContact CD1-CB 3.88Å; G444-Q453 PolarHBondContact O-NE2 3.37Å; G444-Q453 VanDerWaalsContact O-NE2 3.13Å; S449-Q453 WeakPolarHBondContact O-CG 3.37Å; S449-Q453 PolarHBondContact O-N 3.3Å; S449-Q453 PolarHBondContact O-NE2 2.71Å; V450-Q453 WeakPolarHBondContact O-CB 3.46Å; V450-Q453 PolarHBondContact O-N 3.42Å; Q453-H456 PolarHBondContact O-N 3.39Å; Q453-L457 WeakPolarHBondContact O-CG 3.48Å; Q453-L457 PolarHBondContact O-N 3.33Å
454	V	95.9	Very high	93.5	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-50.6	173.7	168.6	0	0	0	0	110.3	V145 A149 L175 V450 S451 H456 L457 R458	V145-V454 HydrophobicContact CG1-CG1 3.92Å; A149-V454 HydrophobicContact CB-CG1 3.96Å; L175-V454 HydrophobicContact CD1-CG2 3.8Å; L175-V454 HydrophobicContact CD2-CG2 4.24Å; V450-V454 WeakPolarHBondContact O-CG2 3.48Å; V450-V454 PolarHBondContact O-N 3.27Å; S451-V454 PolarHBondContact O-N 2.97Å; V454-H456 VanDerWaalsContact C-N 3.34Å; V454-H456 PolarHBondContact O-N 2.93Å; V454-L457 PolarHBondContact O-N 3.48Å; V454-R458 HydrophobicContact CG1-CG 4.48Å; V454-R458 WeakPolarHBondContact O-CG 3.19Å; V454-R458 PolarHBondContact O-N 3.07Å
455	E	95.8	Very high	92	Very high	81 Å²	81	52.7 Å²	52.7	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-37.7	-177.8	-172.4	53.8	-147.6	0	0	112.1	S451 A452 L457 R458 N459	S451-E455 PolarHBondContact O-N 3.25Å; A452-E455 PolarHBondContact O-N 2.99Å; E455-L457 PolarHBondContact O-N 2.64Å; E455-R458 PolarHBondContact O-N 3.44Å; E455-N459 PolarHBondContact O-N 3.46Å; E455-N459 PolarHBondContact O-ND2 2.86Å; E455-N459 PolarHBondContact OE1-ND2 3.31Å; E455-N459 PolarHBondContact OE1-OD1 2.82Å
456	H	95.3	Very high	89.8	Confident	129 Å²	129	60.8 Å²	60.8	60%	0.597	33%	0.331	S	S	*	.	H	α-helix	trans	-58.5	-48.4	172.9	-179.6	78.3	0	0	0	111.6	A452 Q453 V454 N459 W460	A452-H456 WeakPolarHBondContact O-CB 3.4Å; A452-H456 PolarHBondContact O-N 3.38Å; Q453-H456 PolarHBondContact O-N 3.39Å; V454-H456 VanDerWaalsContact C-N 3.34Å; V454-H456 PolarHBondContact O-N 2.93Å; H456-N459 PolarHBondContact O-N 3.11Å; H456-W460 WeakPolarHBondContact O-CB 3.49Å; H456-W460 PolarHBondContact O-N 2.96Å
457	L	94.3	Very high	89.5	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-36.2	179.6	-72.7	167.9	0	0	0	112.6	V145 L175 A178 V179 Q453 V454 E455 N459 W460 L461	V145-L457 HydrophobicContact CG1-CB 4.43Å; V145-L457 HydrophobicContact CG2-CB 3.77Å; V145-L457 HydrophobicContact CG2-CD1 3.83Å; V145-L457 HydrophobicContact CG2-CG 4.43Å; L175-L457 HydrophobicContact CD2-CD1 3.81Å; A178-L457 HydrophobicContact CB-CD1 4.17Å; V179-L457 HydrophobicContact CG2-CD1 4.01Å; V179-L457 HydrophobicContact CG2-CD2 4.31Å; Q453-L457 WeakPolarHBondContact O-CG 3.48Å; Q453-L457 PolarHBondContact O-N 3.33Å; V454-L457 PolarHBondContact O-N 3.48Å; E455-L457 PolarHBondContact O-N 2.64Å; L457-N459 VanDerWaalsContact C-N 3.33Å; L457-N459 PolarHBondContact O-N 2.81Å; L457-W460 PolarHBondContact O-N 3.38Å; L457-L461 WeakPolarHBondContact O-CB 3.4Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.09Å
458	R	95.1	Very high	89.3	Confident	73 Å²	73	63 Å²	63	28%	0.275	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-43.4	171.9	-78.3	180	172.3	157.4	-2.4	111.7	V145 E146 V454 E455 L461 K462	V145-R458 HydrophobicContact CG1-CG 3.89Å; E146-R458 VanDerWaalsContact CD-NH2 3.33Å; E146-R458 IonicContact OE1-CZ 2.8Å; E146-R458 IonicContact OE1-NE 2.7Å; E146-R458 PolarHBondContact OE1-NE 2.94Å; E146-R458 IonicContact OE1-NH2 3.61Å; E146-R458 PolarHBondContact OE1-NH2 2.89Å; E146-R458 IonicContact OE2-CZ 3.69Å; E146-R458 IonicContact OE2-NE 2.85Å; E146-R458 IonicContact OE2-NH2 3.84Å; E146-R458 PolarHBondContact OE2-NH2 3.13Å; V454-R458 HydrophobicContact CG1-CG 4.48Å; V454-R458 WeakPolarHBondContact O-CG 3.19Å; V454-R458 PolarHBondContact O-N 3.07Å; E455-R458 PolarHBondContact O-N 3.44Å; R458-L461 PolarHBondContact O-N 3.27Å; R458-K462 WeakPolarHBondContact O-CG 3.48Å; R458-K462 PolarHBondContact O-N 3.11Å
459	N	94.9	Very high	89	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-39	176.7	-70.1	-40.3	0	0	0	111.9	E455 H456 L457 L461 K462 T463	E455-N459 PolarHBondContact O-N 3.46Å; E455-N459 PolarHBondContact O-ND2 2.86Å; E455-N459 PolarHBondContact OE1-ND2 3.31Å; E455-N459 PolarHBondContact OE1-OD1 2.82Å; H456-N459 PolarHBondContact O-N 3.11Å; L457-N459 VanDerWaalsContact C-N 3.33Å; L457-N459 PolarHBondContact O-N 2.81Å; N459-L461 VanDerWaalsContact C-N 3.34Å; N459-L461 PolarHBondContact O-N 3.42Å; N459-K462 PolarHBondContact O-N 3.26Å; N459-K462 PolarHBondContact OD1-NZ 3.1Å; N459-T463 WeakPolarHBondContact O-CG2 3.3Å; N459-T463 PolarHBondContact O-N 3.14Å
460	W	94	Very high	88.6	Confident	22 Å²	22	65.8 Å²	65.8	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-43.3	172.6	-179.5	98.7	0	0	0	111.8	L138 I141 S182 V185 E186 H456 L457 T463	L138-W460 HydrophobicContact CD2-CH2 4.03Å; L138-W460 HydrophobicContact CD2-CZ3 3.77Å; I141-W460 HydrophobicContact CD1-CH2 4.15Å; I141-W460 HydrophobicContact CD1-CZ3 4.02Å; S182-W460 WeakPolarHBondContact O-CZ2 3.47Å; V185-W460 HydrophobicContact CB-CH2 3.82Å; V185-W460 HydrophobicContact CB-CZ2 4.29Å; V185-W460 HydrophobicContact CG1-CH2 3.79Å; V185-W460 HydrophobicContact CG1-CZ2 4.23Å; V185-W460 HydrophobicContact CG2-CH2 4.31Å; E186-W460 HydrophobicContact CG-CZ2 4.15Å; E186-W460 PolarHBondContact OE1-NE1 3.24Å; H456-W460 WeakPolarHBondContact O-CB 3.49Å; H456-W460 PolarHBondContact O-N 2.96Å; L457-W460 PolarHBondContact O-N 3.38Å; W460-T463 PolarHBondContact O-N 3Å; W460-T463 PolarHBondContact O-OG1 3.36Å
461	L	92.1	Very high	88.1	Confident	13 Å²	13	69.9 Å²	69.9	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-43.6	175.5	-75.3	168.4	0	0	0	112.1	L138 I141 L457 R458 N459 T463 R464 S465	L138-L461 HydrophobicContact CB-CD2 4.43Å; L138-L461 HydrophobicContact CD2-CD2 3.75Å; I141-L461 HydrophobicContact CB-CD2 4.25Å; I141-L461 HydrophobicContact CG2-CD1 4.27Å; I141-L461 HydrophobicContact CG2-CD2 3.95Å; I141-L461 HydrophobicContact CG2-CG 4.33Å; L457-L461 WeakPolarHBondContact O-CB 3.4Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.09Å; R458-L461 PolarHBondContact O-N 3.27Å; N459-L461 VanDerWaalsContact C-N 3.34Å; N459-L461 PolarHBondContact O-N 3.42Å; L461-T463 VanDerWaalsContact C-N 3.28Å; L461-T463 PolarHBondContact O-N 3.05Å; L461-R464 CarbonylContact O-C 3.55Å; L461-R464 PolarHBondContact O-N 3.08Å; L461-R464 VanDerWaalsContact O-N 3.12Å; L461-S465 PolarHBondContact O-N 2.96Å; L461-S465 PolarHBondContact O-OG 3.15Å
462	K	89.9	Confident	87.7	Confident	142 Å²	142	71 Å²	71	62%	0.617	38%	0.379	S	S	*	.	H	α-helix	trans	-59.9	-36.1	178	-73.4	172.5	-171.6	166.6	0	112.9	R458 N459 R464	R458-K462 WeakPolarHBondContact O-CG 3.48Å; R458-K462 PolarHBondContact O-N 3.11Å; N459-K462 PolarHBondContact O-N 3.26Å; N459-K462 PolarHBondContact OD1-NZ 3.1Å; K462-R464 PolarHBondContact O-N 3.37Å
463	T	85.8	Confident	87.1	Confident	102 Å²	102	71.6 Å²	71.6	63%	0.626	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.4	179.2	60.3	0	0	0	0	114.4	N459 W460 L461	N459-T463 WeakPolarHBondContact O-CG2 3.3Å; N459-T463 PolarHBondContact O-N 3.14Å; W460-T463 PolarHBondContact O-N 3Å; W460-T463 PolarHBondContact O-OG1 3.36Å; L461-T463 VanDerWaalsContact C-N 3.28Å; L461-T463 PolarHBondContact O-N 3.05Å
464	R	79.6	Confident	86.4	Confident	83 Å²	83	74.3 Å²	74.3	31%	0.313	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-1.8	-172.4	-70	169.4	175.8	75	-11	113.4	L138 E186 L189 L461 K462	L138-R464 WeakPolarHBondContact CD1-O 3.44Å; L138-R464 HydrophobicContact CD2-CB 4.47Å; E186-R464 IonicContact OE1-NH2 2.74Å; E186-R464 PolarHBondContact OE1-NH2 2.94Å; L189-R464 HydrophobicContact CD1-CG 4.49Å; L461-R464 CarbonylContact O-C 3.55Å; L461-R464 PolarHBondContact O-N 3.08Å; L461-R464 VanDerWaalsContact O-N 3.12Å; K462-R464 PolarHBondContact O-N 3.37Å
465	S	61.6	Low	85.7	Confident	66 Å²	66	80 Å²	80	46%	0.462	41%	0.413	S	S	.	.			trans	-75.9	132.7	168.1	-58.1	0	0	0	0	107.8	L461	L461-S465 PolarHBondContact O-N 2.96Å; L461-S465 PolarHBondContact O-OG 3.15Å
466	P	49.5	Very low	84.7	Confident	176 Å²	176	79.9 Å²	79.9	100%	1.143	42%	0.416	S	S	*	.			trans	-60.2	0	-177.3	22.2	-31.7	0	0	0	114.1

Retrieved 466 of 466 residues in 91.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).