A0A077Z499_TRITR Loading...

K Homology domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z499, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 700 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	45.9	Very low	245 Å²	245	101.6 Å²	101.6	100%	1.207	58%	0.576	S	S	*	*				0	131.8	0	-70	164.2	171.5	0	0	107.7
2	A	30.9	Very low	47.1	Very low	102 Å²	102	95.5 Å²	95.5	84%	0.843	54%	0.542	S	S	*	.			trans	-94.2	121.4	172.9	0	0	0	0	0	108.5	S4	A2-S4 PolarHBondContact O-N 3.22Å
3	T	32.4	Very low	48.6	Very low	123 Å²	123	96.8 Å²	96.8	76%	0.755	55%	0.547	S	S	*	.			trans	-72.8	114.4	173.2	41.6	0	0	0	0	109	E5	T3-E5 VanDerWaalsContact C-N 3.29Å; T3-E5 PolarHBondContact O-N 3.18Å
4	S	37.9	Very low	49.9	Very low	108 Å²	108	95.7 Å²	95.7	76%	0.755	54%	0.535	S	S	*	.			trans	-72.3	84.4	171.9	42.5	0	0	0	0	110	A2 L6	A2-S4 PolarHBondContact O-N 3.22Å; S4-L6 PolarHBondContact O-N 3.11Å
5	E	42.1	Very low	51.4	Low	159 Å²	159	89.3 Å²	89.3	74%	0.743	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-57.6	120.7	169.1	-65.6	-177.1	162.5	0	0	108.7	T3	T3-E5 VanDerWaalsContact C-N 3.29Å; T3-E5 PolarHBondContact O-N 3.18Å
6	L	48.1	Very low	53	Low	127 Å²	127	86.8 Å²	86.8	67%	0.665	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-59	139.6	172.1	-100.8	73.6	0	0	0	108.6	S4 D8 M9	S4-L6 PolarHBondContact O-N 3.11Å; L6-D8 PolarHBondContact O-N 3.36Å; L6-M9 HydrophobicContact CD2-CE 4.38Å
7	P	51.4	Low	54.5	Low	19 Å²	19	88.2 Å²	88.2	12%	0.123	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-57.6	138.7	168.8	26.3	-33.7	0	0	0	109.1	M9 V12 L49	P7-M9 PolarHBondContact O-N 2.79Å; P7-V12 HydrophobicContact CB-CG2 4.37Å; P7-V12 HydrophobicContact CG-CG2 4.42Å; P7-L49 HydrophobicContact CB-CD2 3.8Å
8	D	56.2	Low	55.7	Low	41 Å²	41	84.1 Å²	84.1	22%	0.219	47%	0.471	C	S	.	.			trans	-50.6	107.9	173.8	174.1	-1.7	0	0	0	109.1	L6 T10 L11 V12 W315	L6-D8 PolarHBondContact O-N 3.36Å; D8-T10 VanDerWaalsContact CG-OG1 3.26Å; D8-T10 PolarHBondContact O-N 3.17Å; D8-T10 VanDerWaalsContact O-N 3.09Å; D8-T10 WeakPolarHBondContact OD1-CB 3.33Å; D8-T10 PolarHBondContact OD1-N 2.84Å; D8-T10 PolarHBondContact OD1-OG1 2.74Å; D8-T10 PolarHBondContact OD2-OG1 3.36Å; D8-L11 HydrophobicContact CB-CD1 4.02Å; D8-L11 HydrophobicContact CB-CG 3.99Å; D8-L11 WeakPolarHBondContact O-CA 3.31Å; D8-L11 WeakPolarHBondContact O-CB 3.5Å; D8-L11 PolarHBondContact O-N 3.24Å; D8-V12 PolarHBondContact O-N 2.86Å; D8-W315 PolarHBondContact OD2-NE1 3.43Å
9	M	56	Low	56.9	Low	117 Å²	117	79.9 Å²	79.9	58%	0.576	45%	0.447	S	S	*	.	H	α-helix	trans	-56.5	-30.9	-174.7	-67.5	-67.3	-133.8	0	0	111	L6 P7 L11 V12 D13	L6-M9 HydrophobicContact CD2-CE 4.38Å; P7-M9 PolarHBondContact O-N 2.79Å; M9-L11 PolarHBondContact O-N 2.87Å; M9-V12 WeakPolarHBondContact O-CA 3.33Å; M9-V12 WeakPolarHBondContact O-CB 3.44Å; M9-V12 PolarHBondContact O-N 2.77Å; M9-D13 PolarHBondContact O-N 3.11Å
10	T	57.7	Low	58	Low	53 Å²	53	80.2 Å²	80.2	33%	0.325	45%	0.445	S	S	.	.	H	α-helix	trans	-67.9	-22.2	177.9	77	0	0	0	0	113.3	D8 Q14	D8-T10 VanDerWaalsContact CG-OG1 3.26Å; D8-T10 PolarHBondContact O-N 3.17Å; D8-T10 VanDerWaalsContact O-N 3.09Å; D8-T10 WeakPolarHBondContact OD1-CB 3.33Å; D8-T10 PolarHBondContact OD1-N 2.84Å; D8-T10 PolarHBondContact OD1-OG1 2.74Å; D8-T10 PolarHBondContact OD2-OG1 3.36Å; T10-Q14 VanDerWaalsContact O-CD 3.25Å; T10-Q14 WeakPolarHBondContact O-CG 3.35Å; T10-Q14 PolarHBondContact O-NE2 3.06Å
11	L	58.7	Low	59	Low	24 Å²	24	80.6 Å²	80.6	13%	0.126	44%	0.443	C	S	.	.	H	α-helix	trans	-76.8	-35.1	169.2	-63	-179.6	0	0	0	111.9	D8 M9 L15 K45	D8-L11 HydrophobicContact CB-CD1 4.02Å; D8-L11 HydrophobicContact CB-CG 3.99Å; D8-L11 WeakPolarHBondContact O-CA 3.31Å; D8-L11 WeakPolarHBondContact O-CB 3.5Å; D8-L11 PolarHBondContact O-N 3.24Å; M9-L11 PolarHBondContact O-N 2.87Å; L11-L15 PolarHBondContact O-N 2.69Å; L11-K45 HydrophobicContact CD2-CD 4.18Å; L11-K45 HydrophobicContact CD2-CG 4.34Å
12	V	60.7	Low	61.1	Low	28 Å²	28	69 Å²	69	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-70.6	-49	178.5	-175.7	0	0	0	0	110.5	P7 D8 M9 Q14 L15 P16 L56	P7-V12 HydrophobicContact CB-CG2 4.37Å; P7-V12 HydrophobicContact CG-CG2 4.42Å; D8-V12 PolarHBondContact O-N 2.86Å; M9-V12 WeakPolarHBondContact O-CA 3.33Å; M9-V12 WeakPolarHBondContact O-CB 3.44Å; M9-V12 PolarHBondContact O-N 2.77Å; V12-Q14 PolarHBondContact O-N 2.91Å; V12-L15 VanDerWaalsContact O-CB 3.28Å; V12-L15 WeakPolarHBondContact O-CB 3.48Å; V12-L15 PolarHBondContact O-N 2.89Å; V12-P16 WeakPolarHBondContact O-CD 3.3Å; V12-L56 HydrophobicContact CG1-CD2 4.28Å; V12-L56 HydrophobicContact CG2-CD2 4.44Å
13	D	66	Low	63.4	Low	113 Å²	113	69.8 Å²	69.8	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-59.6	-32.7	-179.8	-68.3	-28.3	0	0	0	113.3	M9	M9-D13 PolarHBondContact O-N 3.11Å
14	Q	67.2	Low	65.4	Low	81 Å²	81	66.7 Å²	66.7	38%	0.379	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.3	-179.9	-65.8	175.3	27.2	0	0	113.1	T10 V12 L18	T10-Q14 VanDerWaalsContact O-CD 3.25Å; T10-Q14 WeakPolarHBondContact O-CG 3.35Å; T10-Q14 PolarHBondContact O-NE2 3.06Å; V12-Q14 PolarHBondContact O-N 2.91Å; Q14-L18 PolarHBondContact O-N 3.33Å
15	L	72.4	Confident	66.9	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-72.4	-42.3	-175.1	-157.8	65.6	0	0	0	113.6	L11 V12 N17 L18 I19 L42 V46 L49 L56 I64	L11-L15 PolarHBondContact O-N 2.69Å; V12-L15 VanDerWaalsContact O-CB 3.28Å; V12-L15 WeakPolarHBondContact O-CB 3.48Å; V12-L15 PolarHBondContact O-N 2.89Å; L15-N17 VanDerWaalsContact C-N 3.34Å; L15-N17 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 2.97Å; L15-I19 HydrophobicContact CG-CD1 4.05Å; L15-I19 HydrophobicContact CG-CG1 4.47Å; L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.12Å; L15-L42 HydrophobicContact CD1-CD1 3.66Å; L15-V46 HydrophobicContact CD1-CG2 3.87Å; L15-L49 HydrophobicContact CD2-CD1 4.43Å; L15-L56 HydrophobicContact CD2-CD1 3.61Å; L15-L56 HydrophobicContact CD2-CD2 3.63Å; L15-L56 HydrophobicContact CD2-CG 4.29Å; L15-I64 HydrophobicContact CD2-CD1 3.98Å; L15-I64 HydrophobicContact CG-CD1 4.48Å
16	P	77	Confident	67.9	Low	49 Å²	49	54.7 Å²	54.7	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-55.4	-44.1	175.2	-28	35.6	0	0	0	113.8	V12 L18 I19 E20	V12-P16 WeakPolarHBondContact O-CD 3.3Å; P16-L18 PolarHBondContact O-N 3.48Å; P16-I19 WeakPolarHBondContact O-CB 3.26Å; P16-I19 PolarHBondContact O-N 3.31Å; P16-E20 PolarHBondContact O-N 3.08Å
17	N	77.9	Confident	68.8	Low	111 Å²	111	53.8 Å²	53.8	59%	0.594	29%	0.288	S	S	*	.	H	α-helix	trans	-65.4	-39.8	-179.8	-70.2	-30.3	0	0	0	111.9	L15 Q21	L15-N17 VanDerWaalsContact C-N 3.34Å; L15-N17 PolarHBondContact O-N 3Å; N17-Q21 WeakPolarHBondContact O-CG 3.27Å; N17-Q21 PolarHBondContact O-N 3.38Å
18	L	76.2	Confident	69.8	Low	13 Å²	13	55 Å²	55	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-38.5	172.9	-78.7	163.6	0	0	0	112	Q14 L15 P16 E20 Q21 V22 M41 L42 K45	Q14-L18 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 2.97Å; P16-L18 PolarHBondContact O-N 3.48Å; L18-E20 PolarHBondContact O-N 2.94Å; L18-Q21 PolarHBondContact O-N 2.96Å; L18-V22 VanDerWaalsContact O-CB 3.29Å; L18-V22 WeakPolarHBondContact O-CB 3.41Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.8Å; L18-M41 HydrophobicContact CD2-CB 4.11Å; L18-L42 HydrophobicContact CB-CD1 4.1Å; L18-K45 HydrophobicContact CD1-CD 3.71Å
19	I	78.1	Confident	70.3	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-44.4	175.1	-72.9	165.8	0	0	0	111.1	L15 P16 V22 R23 L42 Q60 N63 I64 Y67	L15-I19 HydrophobicContact CG-CD1 4.05Å; L15-I19 HydrophobicContact CG-CG1 4.47Å; L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.12Å; P16-I19 WeakPolarHBondContact O-CB 3.26Å; P16-I19 PolarHBondContact O-N 3.31Å; I19-V22 CarbonylContact O-C 3.53Å; I19-V22 PolarHBondContact O-N 2.89Å; I19-R23 PolarHBondContact O-N 2.75Å; I19-L42 HydrophobicContact CG1-CD1 4.15Å; I19-Q60 HydrophobicContact CD1-CB 4.03Å; I19-Q60 HydrophobicContact CD1-CG 4.29Å; I19-N63 HydrophobicContact CG2-CB 3.79Å; I19-I64 HydrophobicContact CD1-CD1 4Å; I19-I64 HydrophobicContact CD1-CG1 3.67Å; I19-I64 HydrophobicContact CG1-CD1 4.45Å; I19-I64 HydrophobicContact CG1-CG1 3.73Å; I19-Y67 HydrophobicContact CG2-CD2 3.97Å; I19-Y67 HydrophobicContact CG2-CE2 3.78Å
20	E	80.5	Confident	71	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-73.8	-34.2	179	-74	-64.2	121.5	0	0	113.2	P16 L18 V22 R23 A24	P16-E20 PolarHBondContact O-N 3.08Å; L18-E20 PolarHBondContact O-N 2.94Å; E20-V22 PolarHBondContact O-N 3.12Å; E20-R23 VanDerWaalsContact CD-CD 3.49Å; E20-R23 WeakPolarHBondContact O-CB 3.37Å; E20-R23 PolarHBondContact O-N 3.25Å; E20-R23 VanDerWaalsContact OE1-CD 3.27Å; E20-R23 WeakPolarHBondContact OE1-CD 3.5Å; E20-R23 IonicContact OE1-CZ 2.89Å; E20-R23 IonicContact OE1-NE 2.59Å; E20-R23 IonicContact OE1-NH1 3.17Å; E20-R23 PolarHBondContact OE1-NH1 3.43Å; E20-R23 WeakPolarHBondContact OE2-CD 3.38Å; E20-R23 IonicContact OE2-CZ 3.75Å; E20-R23 IonicContact OE2-NE 2.91Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.26Å; E20-A24 PolarHBondContact O-N 3.05Å
21	Q	78.6	Confident	71.9	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-36.5	167.2	-72	174.4	4.4	0	0	111.5	N17 L18 A24 M25 N38	N17-Q21 WeakPolarHBondContact O-CG 3.27Å; N17-Q21 PolarHBondContact O-N 3.38Å; L18-Q21 PolarHBondContact O-N 2.96Å; Q21-A24 PolarHBondContact O-N 3.37Å; Q21-M25 PolarHBondContact O-N 2.8Å; Q21-N38 PolarHBondContact OE1-ND2 3.46Å
22	V	77.1	Confident	72.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-76.1	-28.7	178.7	175.5	0	0	0	0	112.4	L18 I19 E20 M25 G26 L42 I71	L18-V22 VanDerWaalsContact O-CB 3.29Å; L18-V22 WeakPolarHBondContact O-CB 3.41Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.8Å; I19-V22 CarbonylContact O-C 3.53Å; I19-V22 PolarHBondContact O-N 2.89Å; E20-V22 PolarHBondContact O-N 3.12Å; V22-M25 VanDerWaalsContact CA-CE 3.47Å; V22-M25 HydrophobicContact CB-CE 3.77Å; V22-M25 HydrophobicContact CG1-CE 4.11Å; V22-M25 HydrophobicContact CG2-CE 3.24Å; V22-M25 PolarHBondContact O-N 3.37Å; V22-G26 PolarHBondContact O-N 3.33Å; V22-L42 HydrophobicContact CB-CD2 4.04Å; V22-L42 HydrophobicContact CG1-CD2 3.82Å; V22-L42 HydrophobicContact CG2-CB 3.96Å; V22-L42 HydrophobicContact CG2-CD2 3.71Å; V22-L42 HydrophobicContact CG2-CG 4.36Å; V22-I71 HydrophobicContact CG1-CD1 3.54Å
23	R	79.6	Confident	73.3	Confident	120 Å²	120	70 Å²	70	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-45.1	166.5	178	-173.6	-175.4	167.4	-3.5	111.7	I19 E20 M25 G26 T27 Y67	I19-R23 PolarHBondContact O-N 2.75Å; E20-R23 VanDerWaalsContact CD-CD 3.49Å; E20-R23 WeakPolarHBondContact O-CB 3.37Å; E20-R23 PolarHBondContact O-N 3.25Å; E20-R23 VanDerWaalsContact OE1-CD 3.27Å; E20-R23 WeakPolarHBondContact OE1-CD 3.5Å; E20-R23 IonicContact OE1-CZ 2.89Å; E20-R23 IonicContact OE1-NE 2.59Å; E20-R23 IonicContact OE1-NH1 3.17Å; E20-R23 PolarHBondContact OE1-NH1 3.43Å; E20-R23 WeakPolarHBondContact OE2-CD 3.38Å; E20-R23 IonicContact OE2-CZ 3.75Å; E20-R23 IonicContact OE2-NE 2.91Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.26Å; R23-M25 VanDerWaalsContact C-N 3.34Å; R23-M25 PolarHBondContact O-N 2.87Å; R23-G26 WeakPolarHBondContact O-CA 3.38Å; R23-G26 PolarHBondContact O-N 2.91Å; R23-T27 PolarHBondContact O-N 3.01Å; R23-Y67 HydrophobicContact CB-CD1 4.2Å; R23-Y67 HydrophobicContact CB-CD2 4.12Å; R23-Y67 HydrophobicContact CB-CE1 3.86Å; R23-Y67 HydrophobicContact CB-CE2 3.74Å; R23-Y67 HydrophobicContact CB-CG 4.36Å; R23-Y67 WeakPolarHBondContact CD-OH 3.42Å; R23-Y67 HydrophobicContact CG-CD1 4.41Å; R23-Y67 HydrophobicContact CG-CE1 3.68Å; R23-Y67 HydrophobicContact CG-CE2 4.23Å
24	A	74.2	Confident	73.6	Confident	58 Å²	58	68.3 Å²	68.3	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-35	177.4	0	0	0	0	0	112.8	E20 Q21 G26 T27 S28	E20-A24 PolarHBondContact O-N 3.05Å; Q21-A24 PolarHBondContact O-N 3.37Å; A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 3.12Å; A24-T27 PolarHBondContact O-N 2.97Å; A24-T27 PolarHBondContact O-OG1 3.24Å; A24-S28 PolarHBondContact O-N 2.89Å
25	M	68.7	Low	74.1	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-34.5	169.2	-68.3	-171	-85.1	0	0	113	Q21 V22 R23 T27 S28 L31 S35 N38 L39 I71	Q21-M25 PolarHBondContact O-N 2.8Å; V22-M25 VanDerWaalsContact CA-CE 3.47Å; V22-M25 HydrophobicContact CB-CE 3.77Å; V22-M25 HydrophobicContact CG1-CE 4.11Å; V22-M25 HydrophobicContact CG2-CE 3.24Å; V22-M25 PolarHBondContact O-N 3.37Å; R23-M25 VanDerWaalsContact C-N 3.34Å; R23-M25 PolarHBondContact O-N 2.87Å; M25-T27 VanDerWaalsContact C-N 3.29Å; M25-T27 PolarHBondContact O-N 3.39Å; M25-S28 PolarHBondContact O-N 3.05Å; M25-L31 HydrophobicContact CB-CD1 4.28Å; M25-L31 HydrophobicContact CG-CD1 4.46Å; M25-L31 HydrophobicContact SD-CD1 4.17Å; M25-S35 WeakPolarHBondContact SD-CA 3.46Å; M25-S35 WeakPolarHBondContact SD-CB 3.43Å; M25-N38 HydrophobicContact CE-CB 3.88Å; M25-L39 HydrophobicContact CE-CB 3.89Å; M25-L39 HydrophobicContact SD-CB 4.13Å; M25-I71 HydrophobicContact CB-CD1 3.99Å
26	G	63.2	Low	74.4	Confident	8 Å²	8	69.3 Å²	69.3	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-29.3	175.9	0	0	0	0	0	113.7	V22 R23 A24 K74	V22-G26 PolarHBondContact O-N 3.33Å; R23-G26 WeakPolarHBondContact O-CA 3.38Å; R23-G26 PolarHBondContact O-N 2.91Å; A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 3.12Å; G26-K74 WeakPolarHBondContact O-CD 3.37Å; G26-K74 WeakPolarHBondContact O-CE 3.35Å; G26-K74 PolarHBondContact O-NZ 3.26Å
27	T	68	Low	74.4	Confident	108 Å²	108	69.8 Å²	69.8	66%	0.663	35%	0.353	S	S	*	.	H	α-helix	trans	-83.3	-34.1	174.5	55.2	0	0	0	0	112.6	R23 A24 M25 K74	R23-T27 PolarHBondContact O-N 3.01Å; A24-T27 PolarHBondContact O-N 2.97Å; A24-T27 PolarHBondContact O-OG1 3.24Å; M25-T27 VanDerWaalsContact C-N 3.29Å; M25-T27 PolarHBondContact O-N 3.39Å; T27-K74 VanDerWaalsContact C-NZ 3.31Å; T27-K74 PolarHBondContact O-NZ 2.97Å
28	S	71.2	Confident	74.5	Confident	46 Å²	46	65.9 Å²	65.9	32%	0.322	33%	0.333	S	S	.	.			trans	-56.8	151.5	178.6	-174.2	0	0	0	0	114.9	A24 M25 H30 K74 H75	A24-S28 PolarHBondContact O-N 2.89Å; M25-S28 PolarHBondContact O-N 3.05Å; S28-H30 PolarHBondContact OG-N 2.91Å; S28-H30 VanDerWaalsContact OG-N 3.12Å; S28-H30 PolarHBondContact OG-O 3.28Å; S28-K74 PolarHBondContact O-NZ 3.42Å; S28-H75 PolarHBondContact O-NE2 3.45Å
29	N	68.5	Low	74.8	Confident	129 Å²	129	65.2 Å²	65.2	69%	0.69	33%	0.329	S	S	*	.	S	Bend	trans	-92.3	-14.7	171.9	-70.9	-19.8	0	0	0	113.3
30	H	70.4	Confident	75	Confident	151 Å²	151	66.3 Å²	66.3	70%	0.699	34%	0.336	S	S	*	.	S	Bend	trans	-131.4	146.7	179.5	-58.8	-52.5	0	0	0	111.1	S28	S28-H30 PolarHBondContact OG-N 2.91Å; S28-H30 VanDerWaalsContact OG-N 3.12Å; S28-H30 PolarHBondContact OG-O 3.28Å
31	L	74.8	Confident	75.1	Confident	20 Å²	20	62.4 Å²	62.4	11%	0.105	32%	0.318	C	S	.	.			trans	-111.6	94.8	179.8	-148.9	80.7	0	0	0	108.9	M25 K36 L39 H75 L79	M25-L31 HydrophobicContact CB-CD1 4.28Å; M25-L31 HydrophobicContact CG-CD1 4.46Å; M25-L31 HydrophobicContact SD-CD1 4.17Å; L31-K36 HydrophobicContact CD2-CG 3.78Å; L31-K36 HydrophobicContact CG-CG 4.19Å; L31-L39 HydrophobicContact CD2-CD2 4.31Å; L31-H75 HydrophobicContact CD2-CB 4.37Å; L31-L79 HydrophobicContact CD2-CD2 3.76Å
32	D	76.4	Confident	75.3	Confident	86 Å²	86	58.2 Å²	58.2	46%	0.46	30%	0.298	S	S	.	.			trans	-75.2	-177.1	179.5	81.2	-38.7	0	0	0	112.1	V34 S35 K36	D32-V34 PolarHBondContact OD2-N 2.92Å; D32-S35 PolarHBondContact O-N 2.87Å; D32-S35 WeakPolarHBondContact OD1-CB 3.43Å; D32-S35 PolarHBondContact OD1-N 3.44Å; D32-S35 PolarHBondContact OD1-OG 2.86Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 3.24Å
33	Y	72.3	Confident	75.7	Confident	191 Å²	191	58.2 Å²	58.2	75%	0.749	30%	0.298	S	S	*	.	H	α-helix	trans	-65.6	-41.1	-178.6	-176	-94	0	0	0	112.2	S35 K36 Y37	Y33-S35 VanDerWaalsContact C-N 3.35Å; Y33-K36 PolarHBondContact O-N 3.4Å; Y33-Y37 PolarHBondContact O-N 3.17Å
34	V	73.6	Confident	75.7	Confident	78 Å²	78	54 Å²	54	47%	0.473	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-41.5	178.5	-176.7	0	0	0	0	110.4	D32 K36 Y37 N38	D32-V34 PolarHBondContact OD2-N 2.92Å; V34-K36 PolarHBondContact O-N 3.2Å; V34-Y37 PolarHBondContact O-N 3.36Å; V34-N38 PolarHBondContact O-N 3.09Å
35	S	77.2	Confident	76	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-47.9	171.7	-64.4	0	0	0	0	111.9	M25 D32 Y33 Y37 N38 L39	M25-S35 WeakPolarHBondContact SD-CA 3.46Å; M25-S35 WeakPolarHBondContact SD-CB 3.43Å; D32-S35 PolarHBondContact O-N 2.87Å; D32-S35 WeakPolarHBondContact OD1-CB 3.43Å; D32-S35 PolarHBondContact OD1-N 3.44Å; D32-S35 PolarHBondContact OD1-OG 2.86Å; Y33-S35 VanDerWaalsContact C-N 3.35Å; S35-Y37 VanDerWaalsContact C-N 3.29Å; S35-Y37 PolarHBondContact O-N 2.91Å; S35-N38 PolarHBondContact O-N 2.74Å; S35-L39 VanDerWaalsContact O-CB 3.31Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.11Å
36	K	78.3	Confident	76.6	Confident	85 Å²	85	51.2 Å²	51.2	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-38.1	177.5	-73.7	-177.7	-175.9	-160.7	0	112.1	L31 D32 Y33 V34 T40 N78	L31-K36 HydrophobicContact CD2-CG 3.78Å; L31-K36 HydrophobicContact CG-CG 4.19Å; D32-K36 WeakPolarHBondContact O-CG 3.35Å; D32-K36 PolarHBondContact O-N 3.24Å; Y33-K36 PolarHBondContact O-N 3.4Å; V34-K36 PolarHBondContact O-N 3.2Å; K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.4Å; K36-T40 VanDerWaalsContact O-N 3.08Å; K36-T40 PolarHBondContact O-OG1 2.83Å; K36-N78 WeakPolarHBondContact CE-O 3.33Å; K36-N78 PolarHBondContact NZ-O 2.99Å
37	Y	78.3	Confident	77.5	Confident	59 Å²	59	53 Å²	53	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-52.7	173.8	-179.4	-110.8	0	0	0	112.1	Y33 V34 S35 L39 T40 M41 D250	Y33-Y37 PolarHBondContact O-N 3.17Å; V34-Y37 PolarHBondContact O-N 3.36Å; S35-Y37 VanDerWaalsContact C-N 3.29Å; S35-Y37 PolarHBondContact O-N 2.91Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; Y37-L39 PolarHBondContact O-N 3.03Å; Y37-T40 CarbonylContact O-C 3.55Å; Y37-T40 WeakPolarHBondContact O-CA 3.4Å; Y37-T40 VanDerWaalsContact O-CB 3.32Å; Y37-T40 WeakPolarHBondContact O-CB 3.33Å; Y37-T40 PolarHBondContact O-N 3Å; Y37-M41 HydrophobicContact CD1-CG 4.29Å; Y37-M41 HydrophobicContact CD2-CG 4.32Å; Y37-M41 HydrophobicContact CE1-CG 3.84Å; Y37-M41 HydrophobicContact CE2-CG 3.86Å; Y37-M41 HydrophobicContact CE2-SD 3.72Å; Y37-M41 PolarHBondContact O-N 2.95Å; Y37-D250 HydrophobicContact CE2-CB 4.46Å; Y37-D250 WeakPolarHBondContact CE2-OD2 3.43Å
38	N	78.4	Confident	78	Confident	29 Å²	29	52.5 Å²	52.5	16%	0.155	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-36.4	-178.4	-67.5	-6.3	0	0	0	112.5	Q21 M25 V34 S35 M41 L42	Q21-N38 PolarHBondContact OE1-ND2 3.46Å; M25-N38 HydrophobicContact CE-CB 3.88Å; V34-N38 PolarHBondContact O-N 3.09Å; S35-N38 PolarHBondContact O-N 2.74Å; N38-M41 PolarHBondContact O-N 3.12Å; N38-L42 PolarHBondContact O-N 2.97Å
39	L	83.2	Confident	78	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-39.8	173.8	178.2	63	0	0	0	111.3	M25 L31 S35 Y37 V43 L68 I71 L79 M83 I87	M25-L39 HydrophobicContact CE-CB 3.89Å; M25-L39 HydrophobicContact SD-CB 4.13Å; L31-L39 HydrophobicContact CD2-CD2 4.31Å; S35-L39 VanDerWaalsContact O-CB 3.31Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.11Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; Y37-L39 PolarHBondContact O-N 3.03Å; L39-V43 HydrophobicContact CD1-CG2 4.24Å; L39-V43 WeakPolarHBondContact O-CB 3.34Å; L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.9Å; L39-L68 HydrophobicContact CD1-CD2 3.9Å; L39-I71 HydrophobicContact CD1-CD1 3.96Å; L39-I71 HydrophobicContact CD1-CG2 4.2Å; L39-I71 HydrophobicContact CD2-CG2 3.71Å; L39-L79 HydrophobicContact CD2-CD1 4.2Å; L39-L79 HydrophobicContact CD2-CD2 3.63Å; L39-M83 HydrophobicContact CD2-CE 4.35Å; L39-M83 HydrophobicContact CG-CE 3.9Å; L39-I87 HydrophobicContact CD1-CD1 4.44Å; L39-I87 HydrophobicContact CD2-CD1 4.4Å
40	T	83	Confident	78.3	Confident	27 Å²	27	46.5 Å²	46.5	17%	0.166	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-50.4	173.7	-57.9	0	0	0	0	109.7	K36 Y37 L42 V43 Y44 M83	K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.4Å; K36-T40 VanDerWaalsContact O-N 3.08Å; K36-T40 PolarHBondContact O-OG1 2.83Å; Y37-T40 CarbonylContact O-C 3.55Å; Y37-T40 WeakPolarHBondContact O-CA 3.4Å; Y37-T40 VanDerWaalsContact O-CB 3.32Å; Y37-T40 WeakPolarHBondContact O-CB 3.33Å; Y37-T40 PolarHBondContact O-N 3Å; T40-L42 PolarHBondContact O-N 3.27Å; T40-V43 PolarHBondContact O-N 2.96Å; T40-V43 VanDerWaalsContact O-N 3.16Å; T40-Y44 HydrophobicContact CG2-CD2 3.59Å; T40-Y44 HydrophobicContact CG2-CE2 3.75Å; T40-Y44 WeakPolarHBondContact O-CD2 3.47Å; T40-Y44 PolarHBondContact O-N 3.36Å; T40-M83 HydrophobicContact CG2-SD 4.28Å
41	M	81.6	Confident	78.4	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-42.1	178.3	-67.6	-46.8	-43.3	0	0	113.7	L18 Y37 N38 K45 D250 H253	L18-M41 HydrophobicContact CD2-CB 4.11Å; Y37-M41 HydrophobicContact CD1-CG 4.29Å; Y37-M41 HydrophobicContact CD2-CG 4.32Å; Y37-M41 HydrophobicContact CE1-CG 3.84Å; Y37-M41 HydrophobicContact CE2-CG 3.86Å; Y37-M41 HydrophobicContact CE2-SD 3.72Å; Y37-M41 PolarHBondContact O-N 2.95Å; N38-M41 PolarHBondContact O-N 3.12Å; M41-K45 WeakPolarHBondContact O-CB 3.34Å; M41-K45 WeakPolarHBondContact O-CG 3.44Å; M41-K45 PolarHBondContact O-N 3.04Å; M41-D250 HydrophobicContact CE-CB 4.19Å; M41-D250 HydrophobicContact SD-CB 3.41Å; M41-D250 WeakPolarHBondContact SD-CB 3.48Å; M41-H253 WeakPolarHBondContact CE-CE1 3.32Å
42	L	82.8	Confident	78.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-49.8	174.3	-178.5	72.5	0	0	0	110.8	L15 L18 I19 V22 N38 T40 Y44 K45 V46 L68	L15-L42 HydrophobicContact CD1-CD1 3.66Å; L18-L42 HydrophobicContact CB-CD1 4.1Å; I19-L42 HydrophobicContact CG1-CD1 4.15Å; V22-L42 HydrophobicContact CB-CD2 4.04Å; V22-L42 HydrophobicContact CG1-CD2 3.82Å; V22-L42 HydrophobicContact CG2-CB 3.96Å; V22-L42 HydrophobicContact CG2-CD2 3.71Å; V22-L42 HydrophobicContact CG2-CG 4.36Å; N38-L42 PolarHBondContact O-N 2.97Å; T40-L42 PolarHBondContact O-N 3.27Å; L42-Y44 VanDerWaalsContact C-N 3.32Å; L42-Y44 PolarHBondContact O-N 3.38Å; L42-K45 PolarHBondContact O-N 3.18Å; L42-V46 HydrophobicContact CD1-CG2 3.98Å; L42-V46 HydrophobicContact CG-CG2 4.25Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.26Å; L42-V46 PolarHBondContact O-N 3.25Å; L42-L68 HydrophobicContact CD2-CD2 4.38Å
43	V	85.1	Confident	78.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-41.3	-177.5	169	0	0	0	0	111.3	L39 T40 A47 L68 M83 N86 I87 L90	L39-V43 HydrophobicContact CD1-CG2 4.24Å; L39-V43 WeakPolarHBondContact O-CB 3.34Å; L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.9Å; T40-V43 PolarHBondContact O-N 2.96Å; T40-V43 VanDerWaalsContact O-N 3.16Å; V43-A47 WeakPolarHBondContact O-CB 3.38Å; V43-A47 PolarHBondContact O-N 3.2Å; V43-L68 HydrophobicContact CG2-CD2 4.08Å; V43-M83 HydrophobicContact CB-CE 4Å; V43-M83 HydrophobicContact CG1-CE 4.29Å; V43-M83 HydrophobicContact CG1-SD 4.29Å; V43-M83 HydrophobicContact CG2-CE 3.89Å; V43-N86 HydrophobicContact CG1-CB 3.52Å; V43-I87 HydrophobicContact CG1-CG1 4.38Å; V43-I87 HydrophobicContact CG2-CD1 4.21Å; V43-I87 HydrophobicContact CG2-CG1 3.51Å; V43-L90 HydrophobicContact CB-CD1 4.25Å; V43-L90 HydrophobicContact CG1-CD1 3.98Å; V43-L90 HydrophobicContact CG2-CD1 4.33Å
44	Y	81.2	Confident	78.5	Confident	31 Å²	31	37.4 Å²	37.4	12%	0.122	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-42	177.1	-83	-86.3	0	0	0	112.7	T40 L42 A47 T48 M83 S247 R248	T40-Y44 HydrophobicContact CG2-CD2 3.59Å; T40-Y44 HydrophobicContact CG2-CE2 3.75Å; T40-Y44 WeakPolarHBondContact O-CD2 3.47Å; T40-Y44 PolarHBondContact O-N 3.36Å; L42-Y44 VanDerWaalsContact C-N 3.32Å; L42-Y44 PolarHBondContact O-N 3.38Å; Y44-A47 PolarHBondContact O-N 2.81Å; Y44-T48 PolarHBondContact O-N 3.17Å; Y44-T48 PolarHBondContact O-OG1 3.48Å; Y44-M83 HydrophobicContact CE2-SD 4.21Å; Y44-S247 WeakPolarHBondContact CE1-O 3.42Å; Y44-R248 PolarHBondContact OH-O 3.12Å
45	K	80.1	Confident	78.5	Confident	6 Å²	6	38.8 Å²	38.8	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-43.2	177.2	-77.9	-166.3	-179.9	-177.1	0	113.5	L11 L18 M41 L42 A47 T48 L49 H253	L11-K45 HydrophobicContact CD2-CD 4.18Å; L11-K45 HydrophobicContact CD2-CG 4.34Å; L18-K45 HydrophobicContact CD1-CD 3.71Å; M41-K45 WeakPolarHBondContact O-CB 3.34Å; M41-K45 WeakPolarHBondContact O-CG 3.44Å; M41-K45 PolarHBondContact O-N 3.04Å; L42-K45 PolarHBondContact O-N 3.18Å; K45-A47 VanDerWaalsContact C-N 3.31Å; K45-T48 WeakPolarHBondContact CA-OG1 3.49Å; K45-T48 PolarHBondContact O-N 2.81Å; K45-T48 PolarHBondContact O-OG1 2.77Å; K45-L49 PolarHBondContact O-N 2.91Å; K45-H253 VanDerWaalsContact CE-CE1 3.5Å; K45-H253 WeakPolarHBondContact CE-CE1 3.29Å; K45-H253 WeakPolarHBondContact CE-NE2 3.29Å; K45-H253 PolarHBondContact NZ-NE2 2.91Å
46	V	80.5	Confident	78.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-35.7	175.7	-174.1	0	0	0	0	110.1	L15 L42 L49 I53 I64 L90 I94	L15-V46 HydrophobicContact CD1-CG2 3.87Å; L42-V46 HydrophobicContact CD1-CG2 3.98Å; L42-V46 HydrophobicContact CG-CG2 4.25Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.26Å; L42-V46 PolarHBondContact O-N 3.25Å; V46-L49 PolarHBondContact O-N 3.46Å; V46-I53 HydrophobicContact CG1-CD1 3.86Å; V46-I53 HydrophobicContact CG1-CG1 4.13Å; V46-I53 WeakPolarHBondContact O-CD1 3.2Å; V46-I64 HydrophobicContact CG2-CD1 3.9Å; V46-I64 HydrophobicContact CG2-CG2 4.42Å; V46-L90 HydrophobicContact CB-CD1 4.05Å; V46-L90 HydrophobicContact CB-CD2 4.11Å; V46-L90 HydrophobicContact CG1-CD1 4.31Å; V46-L90 HydrophobicContact CG1-CD2 3.72Å; V46-I94 HydrophobicContact CG1-CD1 4.41Å
47	A	81.6	Confident	78.7	Confident	44 Å²	44	37.3 Å²	37.3	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-33.8	174.8	0	0	0	0	0	113.4	V43 Y44 K45 L49 G50 L90	V43-A47 WeakPolarHBondContact O-CB 3.38Å; V43-A47 PolarHBondContact O-N 3.2Å; Y44-A47 PolarHBondContact O-N 2.81Å; K45-A47 VanDerWaalsContact C-N 3.31Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.98Å; A47-G50 PolarHBondContact O-N 3.4Å; A47-L90 HydrophobicContact CB-CD2 4.31Å
48	T	78.6	Confident	78.7	Confident	98 Å²	98	40 Å²	40	60%	0.601	23%	0.226	S	C	*	.	H	α-helix	trans	-70.1	-23.1	174.7	45	0	0	0	0	113.7	Y44 K45 G50	Y44-T48 PolarHBondContact O-N 3.17Å; Y44-T48 PolarHBondContact O-OG1 3.48Å; K45-T48 WeakPolarHBondContact CA-OG1 3.49Å; K45-T48 PolarHBondContact O-N 2.81Å; K45-T48 PolarHBondContact O-OG1 2.77Å; T48-G50 VanDerWaalsContact C-N 3.25Å; T48-G50 PolarHBondContact O-N 3.21Å
49	L	72.5	Confident	78.8	Confident	12 Å²	12	44 Å²	44	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-23.6	171.5	-69.2	170.2	0	0	0	112.2	P7 L15 K45 V46 A47 D51 S52 I53 L56	P7-L49 HydrophobicContact CB-CD2 3.8Å; L15-L49 HydrophobicContact CD2-CD1 4.43Å; K45-L49 PolarHBondContact O-N 2.91Å; V46-L49 PolarHBondContact O-N 3.46Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.98Å; L49-D51 PolarHBondContact O-N 3.17Å; L49-S52 WeakPolarHBondContact O-CA 3.38Å; L49-S52 VanDerWaalsContact O-CB 3.27Å; L49-S52 WeakPolarHBondContact O-CB 3.45Å; L49-S52 PolarHBondContact O-N 2.87Å; L49-I53 HydrophobicContact CB-CG1 3.85Å; L49-L56 HydrophobicContact CD1-CD1 3.8Å; L49-L56 HydrophobicContact CD1-CD2 3.93Å; L49-L56 HydrophobicContact CD1-CG 4.05Å
50	G	75	Confident	78.8	Confident	37 Å²	37	45.7 Å²	45.7	38%	0.381	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	54.5	-120.4	173.4	0	0	0	0	0	113	A47 T48 S52 I53	A47-G50 PolarHBondContact O-N 3.4Å; T48-G50 VanDerWaalsContact C-N 3.25Å; T48-G50 PolarHBondContact O-N 3.21Å; G50-S52 VanDerWaalsContact C-N 3.35Å; G50-I53 WeakPolarHBondContact O-CB 3.49Å; G50-I53 WeakPolarHBondContact O-CD1 3.43Å; G50-I53 WeakPolarHBondContact O-CG1 3.4Å; G50-I53 PolarHBondContact O-N 2.9Å
51	D	70.7	Confident	78.8	Confident	146 Å²	146	46.3 Å²	46.3	78%	0.781	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-74.5	-23.8	176.5	-56.7	-57.6	0	0	0	112.3	L49 I53 E54	L49-D51 PolarHBondContact O-N 3.17Å; D51-I53 PolarHBondContact O-N 3.5Å; D51-E54 WeakPolarHBondContact O-CG 3.38Å; D51-E54 PolarHBondContact O-N 3.43Å
52	S	75	Confident	79	Confident	34 Å²	34	48.7 Å²	48.7	24%	0.238	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-69.1	-0.1	173.5	-54.2	0	0	0	0	114	L49 G50 E54 Q55	L49-S52 WeakPolarHBondContact O-CA 3.38Å; L49-S52 VanDerWaalsContact O-CB 3.27Å; L49-S52 WeakPolarHBondContact O-CB 3.45Å; L49-S52 PolarHBondContact O-N 2.87Å; G50-S52 VanDerWaalsContact C-N 3.35Å; S52-E54 PolarHBondContact O-N 3.13Å; S52-Q55 WeakPolarHBondContact O-CB 3.33Å; S52-Q55 PolarHBondContact O-N 3.06Å
53	I	76.5	Confident	79.1	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-53.9	-28.3	163.6	-68.6	171.8	0	0	0	111.2	V46 L49 G50 D51 Q55 L56 R61 L90 A93 I94	V46-I53 HydrophobicContact CG1-CD1 3.86Å; V46-I53 HydrophobicContact CG1-CG1 4.13Å; V46-I53 WeakPolarHBondContact O-CD1 3.2Å; L49-I53 HydrophobicContact CB-CG1 3.85Å; G50-I53 WeakPolarHBondContact O-CB 3.49Å; G50-I53 WeakPolarHBondContact O-CD1 3.43Å; G50-I53 WeakPolarHBondContact O-CG1 3.4Å; G50-I53 PolarHBondContact O-N 2.9Å; D51-I53 PolarHBondContact O-N 3.5Å; I53-Q55 PolarHBondContact O-N 3.4Å; I53-L56 PolarHBondContact O-N 3.37Å; I53-R61 WeakPolarHBondContact O-CD 3.34Å; I53-L90 HydrophobicContact CD1-CD2 4.16Å; I53-A93 HydrophobicContact CD1-CB 4.49Å; I53-I94 HydrophobicContact CG2-CG1 3.92Å
54	E	75.2	Confident	79.1	Confident	73 Å²	73	50.9 Å²	50.9	34%	0.341	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-61.7	-25	176.7	-54.5	-148.7	140.4	0	0	113.5	D51 S52 R61 V97 K100	D51-E54 WeakPolarHBondContact O-CG 3.38Å; D51-E54 PolarHBondContact O-N 3.43Å; S52-E54 PolarHBondContact O-N 3.13Å; E54-R61 PolarHBondContact O-NH1 3.22Å; E54-R61 PolarHBondContact O-NH2 3.1Å; E54-V97 HydrophobicContact CB-CG1 4.04Å; E54-V97 HydrophobicContact CG-CB 4.31Å; E54-V97 HydrophobicContact CG-CG1 3.64Å; E54-V97 HydrophobicContact CG-CG2 3.69Å; E54-V97 WeakPolarHBondContact OE1-CG2 3.34Å; E54-K100 WeakPolarHBondContact OE1-CE 3.38Å; E54-K100 IonicContact OE1-NZ 2.82Å; E54-K100 PolarHBondContact OE1-NZ 2.96Å; E54-K100 IonicContact OE2-NZ 2.78Å; E54-K100 PolarHBondContact OE2-NZ 3.42Å
55	Q	74.4	Confident	79.4	Confident	108 Å²	108	50 Å²	50	51%	0.505	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-86	-13.1	-176.8	-52.8	-173.6	30.3	0	0	113.6	S52 I53	S52-Q55 WeakPolarHBondContact O-CB 3.33Å; S52-Q55 PolarHBondContact O-N 3.06Å; I53-Q55 PolarHBondContact O-N 3.4Å
56	L	76.8	Confident	79.8	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	-65.7	144.5	176.5	-71.4	178.3	0	0	0	111.3	V12 L15 L49 I53 F58 R61 I64	V12-L56 HydrophobicContact CG1-CD2 4.28Å; V12-L56 HydrophobicContact CG2-CD2 4.44Å; L15-L56 HydrophobicContact CD2-CD1 3.61Å; L15-L56 HydrophobicContact CD2-CD2 3.63Å; L15-L56 HydrophobicContact CD2-CG 4.29Å; L49-L56 HydrophobicContact CD1-CD1 3.8Å; L49-L56 HydrophobicContact CD1-CD2 3.93Å; L49-L56 HydrophobicContact CD1-CG 4.05Å; I53-L56 PolarHBondContact O-N 3.37Å; L56-F58 PolarHBondContact O-N 3.14Å; L56-R61 HydrophobicContact CB-CG 3.95Å; L56-R61 PolarHBondContact O-NE 3.26Å; L56-R61 PolarHBondContact O-NH2 3.3Å; L56-I64 HydrophobicContact CD1-CD1 4.24Å
57	P	81.4	Confident	80	Confident	63 Å²	63	55.5 Å²	55.5	41%	0.409	30%	0.299	S	S	.	.			trans	-51.5	142.3	172.2	-28.1	35.5	0	0	0	112.7	D59 Q60 R61	P57-D59 VanDerWaalsContact C-N 3.27Å; P57-D59 PolarHBondContact O-N 3.19Å; P57-Q60 HydrophobicContact CB-CB 4.47Å; P57-Q60 HydrophobicContact CB-CG 4.15Å; P57-Q60 HydrophobicContact CG-CG 4.35Å; P57-Q60 WeakPolarHBondContact O-CB 3.44Å; P57-Q60 PolarHBondContact O-N 3.43Å; P57-R61 PolarHBondContact O-N 2.86Å
58	F	79.6	Confident	80.3	Confident	117 Å²	117	53.4 Å²	53.4	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-56.3	-41.7	-175.2	179.9	-98.7	0	0	0	112.1	L56 Q60 R61 M62	L56-F58 PolarHBondContact O-N 3.14Å; F58-Q60 VanDerWaalsContact C-N 3.35Å; F58-Q60 PolarHBondContact O-N 3.06Å; F58-R61 WeakPolarHBondContact O-CB 3.34Å; F58-R61 PolarHBondContact O-N 2.84Å; F58-M62 HydrophobicContact CD1-CG 4.01Å; F58-M62 HydrophobicContact CD2-CG 4.49Å; F58-M62 HydrophobicContact CE1-CG 3.56Å; F58-M62 HydrophobicContact CE2-CE 4.2Å; F58-M62 HydrophobicContact CE2-CG 4.08Å; F58-M62 HydrophobicContact CE2-SD 4.36Å; F58-M62 HydrophobicContact CG-CG 4.47Å; F58-M62 HydrophobicContact CZ-CE 4.44Å; F58-M62 HydrophobicContact CZ-CG 3.59Å; F58-M62 HydrophobicContact CZ-SD 4Å; F58-M62 WeakPolarHBondContact O-CG 3.2Å; F58-M62 PolarHBondContact O-N 3.01Å
59	D	80.9	Confident	80.7	Confident	111 Å²	111	54.7 Å²	54.7	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-66	-34.7	178.3	-56.6	-56.9	0	0	0	112.9	P57 M62 N63	P57-D59 VanDerWaalsContact C-N 3.27Å; P57-D59 PolarHBondContact O-N 3.19Å; D59-M62 PolarHBondContact O-N 3.1Å; D59-N63 VanDerWaalsContact O-CB 3.24Å; D59-N63 WeakPolarHBondContact O-CB 3.32Å; D59-N63 VanDerWaalsContact O-CG 3.3Å; D59-N63 PolarHBondContact O-N 3.25Å; D59-N63 PolarHBondContact O-ND2 3.38Å
60	Q	81.7	Confident	81.3	Confident	37 Å²	37	57 Å²	57	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-47	173.5	-66.5	-174.4	15.6	0	0	110.4	I19 P57 F58 M62 N63 I64	I19-Q60 HydrophobicContact CD1-CB 4.03Å; I19-Q60 HydrophobicContact CD1-CG 4.29Å; P57-Q60 HydrophobicContact CB-CB 4.47Å; P57-Q60 HydrophobicContact CB-CG 4.15Å; P57-Q60 HydrophobicContact CG-CG 4.35Å; P57-Q60 WeakPolarHBondContact O-CB 3.44Å; P57-Q60 PolarHBondContact O-N 3.43Å; F58-Q60 VanDerWaalsContact C-N 3.35Å; F58-Q60 PolarHBondContact O-N 3.06Å; Q60-M62 VanDerWaalsContact C-N 3.34Å; Q60-M62 PolarHBondContact O-N 3.26Å; Q60-N63 PolarHBondContact O-N 3.06Å; Q60-I64 WeakPolarHBondContact O-CD1 3.26Å; Q60-I64 VanDerWaalsContact O-CG1 3.24Å; Q60-I64 WeakPolarHBondContact O-CG1 3.3Å; Q60-I64 PolarHBondContact O-N 2.79Å
61	R	84	Confident	81.8	Confident	40 Å²	40	55.2 Å²	55.2	15%	0.151	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-47.6	173.9	-79.5	-177.8	-88.7	-178.1	-13.6	111.7	I53 E54 L56 P57 F58 L65 I94	I53-R61 WeakPolarHBondContact O-CD 3.34Å; E54-R61 PolarHBondContact O-NH1 3.22Å; E54-R61 PolarHBondContact O-NH2 3.1Å; L56-R61 HydrophobicContact CB-CG 3.95Å; L56-R61 PolarHBondContact O-NE 3.26Å; L56-R61 PolarHBondContact O-NH2 3.3Å; P57-R61 PolarHBondContact O-N 2.86Å; F58-R61 WeakPolarHBondContact O-CB 3.34Å; F58-R61 PolarHBondContact O-N 2.84Å; R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.48Å; R61-L65 PolarHBondContact O-N 3.49Å; R61-I94 HydrophobicContact CB-CG2 3.97Å; R61-I94 HydrophobicContact CG-CG2 4.41Å
62	M	85.5	Confident	82.6	Confident	53 Å²	53	49.8 Å²	49.8	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-68.7	-37	179.7	-70.3	-56.1	102.1	0	0	113	F58 D59 Q60 L65 K66 I94 S98	F58-M62 HydrophobicContact CD1-CG 4.01Å; F58-M62 HydrophobicContact CD2-CG 4.49Å; F58-M62 HydrophobicContact CE1-CG 3.56Å; F58-M62 HydrophobicContact CE2-CE 4.2Å; F58-M62 HydrophobicContact CE2-CG 4.08Å; F58-M62 HydrophobicContact CE2-SD 4.36Å; F58-M62 HydrophobicContact CG-CG 4.47Å; F58-M62 HydrophobicContact CZ-CE 4.44Å; F58-M62 HydrophobicContact CZ-CG 3.59Å; F58-M62 HydrophobicContact CZ-SD 4Å; F58-M62 WeakPolarHBondContact O-CG 3.2Å; F58-M62 PolarHBondContact O-N 3.01Å; D59-M62 PolarHBondContact O-N 3.1Å; Q60-M62 VanDerWaalsContact C-N 3.34Å; Q60-M62 PolarHBondContact O-N 3.26Å; M62-L65 HydrophobicContact CE-CD2 3.89Å; M62-L65 PolarHBondContact O-N 3.28Å; M62-L65 HydrophobicContact SD-CD2 4.15Å; M62-K66 WeakPolarHBondContact O-CB 3.46Å; M62-K66 PolarHBondContact O-N 3.42Å; M62-I94 HydrophobicContact CE-CG2 4.18Å; M62-S98 WeakPolarHBondContact CE-OG 3.19Å
63	N	84.7	Confident	83.1	Confident	47 Å²	47	57.3 Å²	57.3	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-43.2	175.2	-80	-46.4	0	0	0	112.3	I19 D59 Q60 L65 K66 Y67	I19-N63 HydrophobicContact CG2-CB 3.79Å; D59-N63 VanDerWaalsContact O-CB 3.24Å; D59-N63 WeakPolarHBondContact O-CB 3.32Å; D59-N63 VanDerWaalsContact O-CG 3.3Å; D59-N63 PolarHBondContact O-N 3.25Å; D59-N63 PolarHBondContact O-ND2 3.38Å; Q60-N63 PolarHBondContact O-N 3.06Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.95Å; N63-K66 PolarHBondContact O-N 2.76Å; N63-Y67 HydrophobicContact CB-CD2 4.3Å; N63-Y67 HydrophobicContact CB-CE2 3.84Å; N63-Y67 WeakPolarHBondContact O-CD2 3.25Å; N63-Y67 PolarHBondContact O-N 3.48Å
64	I	85.3	Confident	83.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-51	171.6	-65.5	159.4	0	0	0	109.8	L15 I19 V46 L56 Q60 K66 Y67 L68 I94	L15-I64 HydrophobicContact CD2-CD1 3.98Å; L15-I64 HydrophobicContact CG-CD1 4.48Å; I19-I64 HydrophobicContact CD1-CD1 4Å; I19-I64 HydrophobicContact CD1-CG1 3.67Å; I19-I64 HydrophobicContact CG1-CD1 4.45Å; I19-I64 HydrophobicContact CG1-CG1 3.73Å; V46-I64 HydrophobicContact CG2-CD1 3.9Å; V46-I64 HydrophobicContact CG2-CG2 4.42Å; L56-I64 HydrophobicContact CD1-CD1 4.24Å; Q60-I64 WeakPolarHBondContact O-CD1 3.26Å; Q60-I64 VanDerWaalsContact O-CG1 3.24Å; Q60-I64 WeakPolarHBondContact O-CG1 3.3Å; Q60-I64 PolarHBondContact O-N 2.79Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 3.38Å; I64-Y67 PolarHBondContact O-N 3.07Å; I64-L68 HydrophobicContact CG2-CD1 3.64Å; I64-L68 HydrophobicContact CG2-CG 4.12Å; I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.5Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 3.45Å; I64-I94 HydrophobicContact CB-CD1 4.13Å; I64-I94 HydrophobicContact CG2-CD1 3.54Å
65	L	87.7	Confident	83.9	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-42	-179.8	-172.2	63.8	0	0	0	112.3	R61 M62 N63 R69 I91 I94	R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.48Å; R61-L65 PolarHBondContact O-N 3.49Å; M62-L65 HydrophobicContact CE-CD2 3.89Å; M62-L65 PolarHBondContact O-N 3.28Å; M62-L65 HydrophobicContact SD-CD2 4.15Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.95Å; L65-R69 VanDerWaalsContact O-CB 3.32Å; L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 WeakPolarHBondContact O-CD 3.44Å; L65-R69 WeakPolarHBondContact O-CG 3.44Å; L65-R69 PolarHBondContact O-N 3.24Å; L65-R69 VanDerWaalsContact O-N 3.14Å; L65-I91 HydrophobicContact CD1-CB 4.25Å; L65-I91 HydrophobicContact CD1-CG1 4.23Å; L65-I91 HydrophobicContact CD1-CG2 3.94Å; L65-I94 HydrophobicContact CB-CG2 4.15Å; L65-I94 HydrophobicContact CD1-CB 4.46Å; L65-I94 HydrophobicContact CD1-CG2 4.43Å; L65-I94 HydrophobicContact CD2-CG2 4.3Å
66	K	87.2	Confident	84.3	Confident	110 Å²	110	54 Å²	54	48%	0.478	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-53	177.2	178.4	-177	179.4	-174.3	0	111.8	M62 N63 I64 R69 I70	M62-K66 WeakPolarHBondContact O-CB 3.46Å; M62-K66 PolarHBondContact O-N 3.42Å; N63-K66 PolarHBondContact O-N 2.76Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 3.38Å; K66-R69 PolarHBondContact O-N 3.02Å; K66-I70 HydrophobicContact CG-CD1 4.1Å; K66-I70 WeakPolarHBondContact O-CG1 3.16Å; K66-I70 PolarHBondContact O-N 3.33Å
67	Y	85.7	Confident	84.5	Confident	13 Å²	13	65.4 Å²	65.4	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-73.7	-36.3	-175.4	-56.1	-47	0	0	0	112.7	I19 R23 N63 I64 R69 I70 I71	I19-Y67 HydrophobicContact CG2-CD2 3.97Å; I19-Y67 HydrophobicContact CG2-CE2 3.78Å; R23-Y67 HydrophobicContact CB-CD1 4.2Å; R23-Y67 HydrophobicContact CB-CD2 4.12Å; R23-Y67 HydrophobicContact CB-CE1 3.86Å; R23-Y67 HydrophobicContact CB-CE2 3.74Å; R23-Y67 HydrophobicContact CB-CG 4.36Å; R23-Y67 WeakPolarHBondContact CD-OH 3.42Å; R23-Y67 HydrophobicContact CG-CD1 4.41Å; R23-Y67 HydrophobicContact CG-CE1 3.68Å; R23-Y67 HydrophobicContact CG-CE2 4.23Å; N63-Y67 HydrophobicContact CB-CD2 4.3Å; N63-Y67 HydrophobicContact CB-CE2 3.84Å; N63-Y67 WeakPolarHBondContact O-CD2 3.25Å; N63-Y67 PolarHBondContact O-N 3.48Å; I64-Y67 PolarHBondContact O-N 3.07Å; Y67-R69 PolarHBondContact O-N 3.16Å; Y67-I70 HydrophobicContact CD1-CD1 4.17Å; Y67-I70 PolarHBondContact O-N 2.97Å; Y67-I71 WeakPolarHBondContact O-CB 3.49Å; Y67-I71 WeakPolarHBondContact O-CG1 3.39Å; Y67-I71 PolarHBondContact O-N 2.98Å
68	L	87.5	Confident	84.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-43.2	171.1	-70.5	-177	0	0	0	111.6	L39 L42 V43 I64 I70 I71 M72 I87 L90 I91	L39-L68 HydrophobicContact CD1-CD2 3.9Å; L42-L68 HydrophobicContact CD2-CD2 4.38Å; V43-L68 HydrophobicContact CG2-CD2 4.08Å; I64-L68 HydrophobicContact CG2-CD1 3.64Å; I64-L68 HydrophobicContact CG2-CG 4.12Å; I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.5Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 3.45Å; L68-I70 PolarHBondContact O-N 2.54Å; L68-I71 PolarHBondContact O-N 3.1Å; L68-M72 WeakPolarHBondContact O-CB 3.34Å; L68-M72 WeakPolarHBondContact O-CG 3.42Å; L68-M72 PolarHBondContact O-N 2.98Å; L68-I87 HydrophobicContact CB-CG2 4.03Å; L68-I87 HydrophobicContact CD1-CG2 4.34Å; L68-I87 HydrophobicContact CD2-CG1 4.25Å; L68-I87 HydrophobicContact CD2-CG2 4.16Å; L68-I87 HydrophobicContact CG-CG2 4.41Å; L68-L90 HydrophobicContact CD1-CB 4.2Å; L68-L90 HydrophobicContact CD1-CD1 4.26Å; L68-I91 HydrophobicContact CB-CD1 4.24Å; L68-I91 HydrophobicContact CB-CG1 4.23Å
69	R	87.6	Confident	84.5	Confident	125 Å²	125	62 Å²	62	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-40	174.4	-75.2	171.6	-179.6	-179.8	2.3	112.5	L65 K66 Y67 K73 I91 T95	L65-R69 VanDerWaalsContact O-CB 3.32Å; L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 WeakPolarHBondContact O-CD 3.44Å; L65-R69 WeakPolarHBondContact O-CG 3.44Å; L65-R69 PolarHBondContact O-N 3.24Å; L65-R69 VanDerWaalsContact O-N 3.14Å; K66-R69 PolarHBondContact O-N 3.02Å; Y67-R69 PolarHBondContact O-N 3.16Å; R69-K73 WeakPolarHBondContact O-CB 3.11Å; R69-K73 PolarHBondContact O-N 3.17Å; R69-I91 HydrophobicContact CG-CD1 4.12Å; R69-T95 PolarHBondContact NH2-OG1 2.99Å
70	I	86	Confident	84.7	Confident	60 Å²	60	61.6 Å²	61.6	31%	0.308	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-46.1	176.1	-70.4	163.5	0	0	0	111.1	K66 Y67 L68 K73 K74	K66-I70 HydrophobicContact CG-CD1 4.1Å; K66-I70 WeakPolarHBondContact O-CG1 3.16Å; K66-I70 PolarHBondContact O-N 3.33Å; Y67-I70 HydrophobicContact CD1-CD1 4.17Å; Y67-I70 PolarHBondContact O-N 2.97Å; L68-I70 PolarHBondContact O-N 2.54Å; I70-K73 PolarHBondContact O-N 2.89Å; I70-K74 HydrophobicContact CG2-CD 4.41Å; I70-K74 PolarHBondContact O-N 2.96Å
71	I	85.2	Confident	84.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-40.2	-179.8	-72.6	173.9	0	0	0	111.2	V22 M25 L39 Y67 L68 K73 H75 G76 L79	V22-I71 HydrophobicContact CG1-CD1 3.54Å; M25-I71 HydrophobicContact CB-CD1 3.99Å; L39-I71 HydrophobicContact CD1-CD1 3.96Å; L39-I71 HydrophobicContact CD1-CG2 4.2Å; L39-I71 HydrophobicContact CD2-CG2 3.71Å; Y67-I71 WeakPolarHBondContact O-CB 3.49Å; Y67-I71 WeakPolarHBondContact O-CG1 3.39Å; Y67-I71 PolarHBondContact O-N 2.98Å; L68-I71 PolarHBondContact O-N 3.1Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.3Å; I71-H75 HydrophobicContact CG2-CB 4.41Å; I71-H75 CarbonylContact O-C 3.48Å; I71-H75 WeakPolarHBondContact O-CA 3.35Å; I71-H75 WeakPolarHBondContact O-CB 3.27Å; I71-H75 PolarHBondContact O-N 3.36Å; I71-G76 PolarHBondContact O-N 3.47Å; I71-L79 HydrophobicContact CG2-CD1 4.45Å
72	M	86.3	Confident	84.7	Confident	33 Å²	33	65.1 Å²	65.1	16%	0.163	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-43.6	172.5	-70.6	-67.4	-74.1	0	0	111.7	L68 G76 L79 H84 I87 N88 I91	L68-M72 WeakPolarHBondContact O-CB 3.34Å; L68-M72 WeakPolarHBondContact O-CG 3.42Å; L68-M72 PolarHBondContact O-N 2.98Å; M72-G76 WeakPolarHBondContact O-CA 3.31Å; M72-G76 PolarHBondContact O-N 3.15Å; M72-G76 VanDerWaalsContact O-N 3.12Å; M72-L79 HydrophobicContact SD-CD1 4.19Å; M72-H84 WeakPolarHBondContact CE-CE1 3.24Å; M72-I87 HydrophobicContact CE-CG2 4.46Å; M72-I87 HydrophobicContact CG-CB 4.48Å; M72-I87 HydrophobicContact CG-CG2 3.47Å; M72-I87 VanDerWaalsContact CG-CG2 3.47Å; M72-I87 HydrophobicContact SD-CB 3.98Å; M72-I87 HydrophobicContact SD-CD1 3.99Å; M72-I87 HydrophobicContact SD-CG2 3.6Å; M72-N88 VanDerWaalsContact CE-OD1 3.3Å; M72-N88 WeakPolarHBondContact CE-OD1 3.38Å; M72-I91 HydrophobicContact CG-CD1 4.36Å
73	K	86.7	Confident	84.6	Confident	192 Å²	192	63 Å²	63	84%	0.835	30%	0.302	S	S	*	.	H	α-helix	trans	-67.9	-40.7	179.8	-173.1	175.9	-179.4	179.3	0	113.5	R69 I70 I71	R69-K73 WeakPolarHBondContact O-CB 3.11Å; R69-K73 PolarHBondContact O-N 3.17Å; I70-K73 PolarHBondContact O-N 2.89Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.3Å
74	K	83.4	Confident	84.7	Confident	95 Å²	95	64.4 Å²	64.4	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-81.5	-48.5	179	-81.6	-173.4	161.9	-170.7	0	113.1	G26 T27 S28 I70	G26-K74 WeakPolarHBondContact O-CD 3.37Å; G26-K74 WeakPolarHBondContact O-CE 3.35Å; G26-K74 PolarHBondContact O-NZ 3.26Å; T27-K74 VanDerWaalsContact C-NZ 3.31Å; T27-K74 PolarHBondContact O-NZ 2.97Å; S28-K74 PolarHBondContact O-NZ 3.42Å; I70-K74 HydrophobicContact CG2-CD 4.41Å; I70-K74 PolarHBondContact O-N 2.96Å
75	H	84.7	Confident	84.8	Confident	6 Å²	6	72.6 Å²	72.6	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-119.4	3.5	-159.9	-64.6	-64	0	0	0	114.1	S28 L31 I71 R77 N78	S28-H75 PolarHBondContact O-NE2 3.45Å; L31-H75 HydrophobicContact CD2-CB 4.37Å; I71-H75 HydrophobicContact CG2-CB 4.41Å; I71-H75 CarbonylContact O-C 3.48Å; I71-H75 WeakPolarHBondContact O-CA 3.35Å; I71-H75 WeakPolarHBondContact O-CB 3.27Å; I71-H75 PolarHBondContact O-N 3.36Å; H75-R77 PolarHBondContact O-N 3.31Å; H75-N78 WeakPolarHBondContact O-CA 3.48Å; H75-N78 WeakPolarHBondContact O-CB 3.44Å; H75-N78 PolarHBondContact O-N 3.06Å
76	G	81.8	Confident	84.7	Confident	14 Å²	14	73.6 Å²	73.6	14%	0.144	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-52.9	-32	-176.5	0	0	0	0	0	114.9	I71 M72 N78 L79	I71-G76 PolarHBondContact O-N 3.47Å; M72-G76 WeakPolarHBondContact O-CA 3.31Å; M72-G76 PolarHBondContact O-N 3.15Å; M72-G76 VanDerWaalsContact O-N 3.12Å; G76-N78 VanDerWaalsContact C-N 3.27Å; G76-N78 PolarHBondContact O-N 3.14Å; G76-L79 PolarHBondContact O-N 3.33Å
77	R	80.7	Confident	84.7	Confident	245 Å²	245	68.3 Å²	68.3	93%	0.925	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.2	174.3	-69.3	-172.2	-75	-166.9	-2.8	114.7	H75	H75-R77 PolarHBondContact O-N 3.31Å
78	N	79.9	Confident	84.8	Confident	83 Å²	83	71.2 Å²	71.2	44%	0.444	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-97.3	-0.5	-178.8	-60.4	-29.3	0	0	0	113	K36 H75 G76	K36-N78 WeakPolarHBondContact CE-O 3.33Å; K36-N78 PolarHBondContact NZ-O 2.99Å; H75-N78 WeakPolarHBondContact O-CA 3.48Å; H75-N78 WeakPolarHBondContact O-CB 3.44Å; H75-N78 PolarHBondContact O-N 3.06Å; G76-N78 VanDerWaalsContact C-N 3.27Å; G76-N78 PolarHBondContact O-N 3.14Å
79	L	82.7	Confident	84.7	Confident	27 Å²	27	75 Å²	75	14%	0.141	36%	0.362	C	S	.	.	S	Bend	trans	-101.8	149.6	-179.6	-56.1	-178.7	0	0	0	110.6	L31 L39 I71 M72 G76 M83 I87	L31-L79 HydrophobicContact CD2-CD2 3.76Å; L39-L79 HydrophobicContact CD2-CD1 4.2Å; L39-L79 HydrophobicContact CD2-CD2 3.63Å; I71-L79 HydrophobicContact CG2-CD1 4.45Å; M72-L79 HydrophobicContact SD-CD1 4.19Å; G76-L79 PolarHBondContact O-N 3.33Å; L79-M83 HydrophobicContact CB-CB 4.4Å; L79-I87 HydrophobicContact CD1-CD1 3.69Å
80	N	84.6	Confident	84.6	Confident	101 Å²	101	69.4 Å²	69.4	54%	0.54	34%	0.342	S	S	.	.			trans	-78.3	162.3	173.7	70.9	37.4	0	0	0	111.5	A82 M83 H84	N80-A82 PolarHBondContact O-N 3.48Å; N80-A82 VanDerWaalsContact O-N 3.17Å; N80-A82 WeakPolarHBondContact OD1-CB 3.32Å; N80-A82 PolarHBondContact OD1-N 3.31Å; N80-A82 VanDerWaalsContact OD1-N 3.17Å; N80-M83 PolarHBondContact O-N 3Å; N80-M83 PolarHBondContact OD1-N 2.75Å; N80-H84 PolarHBondContact O-N 2.79Å
81	T	82.2	Confident	84.7	Confident	100 Å²	100	67.8 Å²	67.8	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-59.7	-28.1	-176.8	-40.8	0	0	0	0	113.5	R85	T81-R85 VanDerWaalsContact O-CG 3.26Å; T81-R85 WeakPolarHBondContact O-CG 3.33Å; T81-R85 PolarHBondContact O-N 2.91Å; T81-R85 VanDerWaalsContact O-N 3.13Å
82	A	83	Confident	84.8	Confident	51 Å²	51	71.3 Å²	71.3	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-71.8	-49.5	176.9	0	0	0	0	0	111.2	N80 H84 R85 N86	N80-A82 PolarHBondContact O-N 3.48Å; N80-A82 VanDerWaalsContact O-N 3.17Å; N80-A82 WeakPolarHBondContact OD1-CB 3.32Å; N80-A82 PolarHBondContact OD1-N 3.31Å; N80-A82 VanDerWaalsContact OD1-N 3.17Å; A82-H84 VanDerWaalsContact C-N 3.32Å; A82-H84 PolarHBondContact O-N 2.74Å; A82-R85 WeakPolarHBondContact O-CB 3.21Å; A82-R85 PolarHBondContact O-N 2.82Å; A82-R85 VanDerWaalsContact O-N 3.12Å; A82-N86 PolarHBondContact O-N 3.12Å; A82-N86 PolarHBondContact O-OD1 3.17Å
83	M	83.9	Confident	84.7	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-42.2	174.5	-75.6	-63.1	-70.8	0	0	111.9	L39 T40 V43 Y44 L79 N80 R85 N86 I87	L39-M83 HydrophobicContact CD2-CE 4.35Å; L39-M83 HydrophobicContact CG-CE 3.9Å; T40-M83 HydrophobicContact CG2-SD 4.28Å; V43-M83 HydrophobicContact CB-CE 4Å; V43-M83 HydrophobicContact CG1-CE 4.29Å; V43-M83 HydrophobicContact CG1-SD 4.29Å; V43-M83 HydrophobicContact CG2-CE 3.89Å; Y44-M83 HydrophobicContact CE2-SD 4.21Å; L79-M83 HydrophobicContact CB-CB 4.4Å; N80-M83 PolarHBondContact O-N 3Å; N80-M83 PolarHBondContact OD1-N 2.75Å; M83-R85 VanDerWaalsContact C-N 3.28Å; M83-R85 PolarHBondContact O-N 2.86Å; M83-N86 PolarHBondContact O-N 3Å; M83-I87 HydrophobicContact CE-CD1 4.36Å; M83-I87 WeakPolarHBondContact O-CB 3.42Å; M83-I87 WeakPolarHBondContact O-CD1 3.39Å; M83-I87 VanDerWaalsContact O-CG1 3.23Å; M83-I87 WeakPolarHBondContact O-CG1 3.32Å; M83-I87 PolarHBondContact O-N 2.97Å
84	H	87	Confident	84.5	Confident	76 Å²	76	62.1 Å²	62.1	35%	0.352	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-31.9	176.8	-165.3	-54.1	0	0	0	112.7	M72 N80 A82 N88	M72-H84 WeakPolarHBondContact CE-CE1 3.24Å; N80-H84 PolarHBondContact O-N 2.79Å; A82-H84 VanDerWaalsContact C-N 3.32Å; A82-H84 PolarHBondContact O-N 2.74Å; H84-N88 PolarHBondContact ND1-ND2 3.32Å; H84-N88 WeakPolarHBondContact O-CB 3.33Å; H84-N88 VanDerWaalsContact O-CG 3.29Å; H84-N88 PolarHBondContact O-N 3.49Å; H84-N88 PolarHBondContact O-ND2 2.59Å
85	R	86.1	Confident	84.6	Confident	173 Å²	173	59.9 Å²	59.9	65%	0.653	32%	0.315	S	S	*	.	H	α-helix	trans	-72.3	-50.9	171.7	-74.6	170	-177.2	-179.9	1.4	111.2	T81 A82 M83 I87 N88 S89	T81-R85 VanDerWaalsContact O-CG 3.26Å; T81-R85 WeakPolarHBondContact O-CG 3.33Å; T81-R85 PolarHBondContact O-N 2.91Å; T81-R85 VanDerWaalsContact O-N 3.13Å; A82-R85 WeakPolarHBondContact O-CB 3.21Å; A82-R85 PolarHBondContact O-N 2.82Å; A82-R85 VanDerWaalsContact O-N 3.12Å; M83-R85 VanDerWaalsContact C-N 3.28Å; M83-R85 PolarHBondContact O-N 2.86Å; R85-I87 PolarHBondContact O-N 3.01Å; R85-N88 WeakPolarHBondContact O-CB 3.35Å; R85-N88 PolarHBondContact O-N 3.42Å; R85-N88 VanDerWaalsContact O-N 3.14Å; R85-S89 PolarHBondContact O-N 3.43Å; R85-S89 PolarHBondContact O-OG 3.04Å
86	N	86.4	Confident	84.3	Confident	31 Å²	31	68.2 Å²	68.2	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-43.9	-177.5	-67.1	5.5	0	0	0	111.7	V43 A82 M83 N88 S89 L90	V43-N86 HydrophobicContact CG1-CB 3.52Å; A82-N86 PolarHBondContact O-N 3.12Å; A82-N86 PolarHBondContact O-OD1 3.17Å; M83-N86 PolarHBondContact O-N 3Å; N86-N88 PolarHBondContact O-N 2.95Å; N86-S89 PolarHBondContact O-N 3.47Å; N86-L90 WeakPolarHBondContact O-CG 3.3Å; N86-L90 PolarHBondContact O-N 3.34Å
87	I	87.5	Confident	84	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-42.8	176	-66.2	165.3	0	0	0	111.3	L39 V43 L68 M72 L79 M83 R85 L90 I91	L39-I87 HydrophobicContact CD1-CD1 4.44Å; L39-I87 HydrophobicContact CD2-CD1 4.4Å; V43-I87 HydrophobicContact CG1-CG1 4.38Å; V43-I87 HydrophobicContact CG2-CD1 4.21Å; V43-I87 HydrophobicContact CG2-CG1 3.51Å; L68-I87 HydrophobicContact CB-CG2 4.03Å; L68-I87 HydrophobicContact CD1-CG2 4.34Å; L68-I87 HydrophobicContact CD2-CG1 4.25Å; L68-I87 HydrophobicContact CD2-CG2 4.16Å; L68-I87 HydrophobicContact CG-CG2 4.41Å; M72-I87 HydrophobicContact CE-CG2 4.46Å; M72-I87 HydrophobicContact CG-CB 4.48Å; M72-I87 HydrophobicContact CG-CG2 3.47Å; M72-I87 VanDerWaalsContact CG-CG2 3.47Å; M72-I87 HydrophobicContact SD-CB 3.98Å; M72-I87 HydrophobicContact SD-CD1 3.99Å; M72-I87 HydrophobicContact SD-CG2 3.6Å; L79-I87 HydrophobicContact CD1-CD1 3.69Å; M83-I87 HydrophobicContact CE-CD1 4.36Å; M83-I87 WeakPolarHBondContact O-CB 3.42Å; M83-I87 WeakPolarHBondContact O-CD1 3.39Å; M83-I87 VanDerWaalsContact O-CG1 3.23Å; M83-I87 WeakPolarHBondContact O-CG1 3.32Å; M83-I87 PolarHBondContact O-N 2.97Å; R85-I87 PolarHBondContact O-N 3.01Å; I87-L90 PolarHBondContact O-N 2.96Å; I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.33Å; I87-I91 PolarHBondContact O-N 3.34Å
88	N	87.1	Confident	83.2	Confident	73 Å²	73	59.2 Å²	59.2	39%	0.39	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	-81	-8.4	0	0	0	112	M72 H84 R85 N86 L90 I91 V92	M72-N88 VanDerWaalsContact CE-OD1 3.3Å; M72-N88 WeakPolarHBondContact CE-OD1 3.38Å; H84-N88 PolarHBondContact ND1-ND2 3.32Å; H84-N88 WeakPolarHBondContact O-CB 3.33Å; H84-N88 VanDerWaalsContact O-CG 3.29Å; H84-N88 PolarHBondContact O-N 3.49Å; H84-N88 PolarHBondContact O-ND2 2.59Å; R85-N88 WeakPolarHBondContact O-CB 3.35Å; R85-N88 PolarHBondContact O-N 3.42Å; R85-N88 VanDerWaalsContact O-N 3.14Å; N86-N88 PolarHBondContact O-N 2.95Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.14Å; N88-I91 PolarHBondContact O-N 2.56Å; N88-V92 WeakPolarHBondContact O-CG2 3.37Å; N88-V92 PolarHBondContact O-N 3.5Å
89	S	86	Confident	82.2	Confident	79 Å²	79	60 Å²	60	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-42.5	175.3	-65.7	0	0	0	0	112.2	R85 N86 V92 A93	R85-S89 PolarHBondContact O-N 3.43Å; R85-S89 PolarHBondContact O-OG 3.04Å; N86-S89 PolarHBondContact O-N 3.47Å; S89-V92 PolarHBondContact O-N 3.25Å; S89-A93 WeakPolarHBondContact O-CB 3.31Å; S89-A93 PolarHBondContact O-N 3.36Å
90	L	86.1	Confident	80.6	Confident	9 Å²	9	65.1 Å²	65.1	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-42.7	175.5	-71.1	179.9	0	0	0	113	V43 V46 A47 I53 L68 N86 I87 N88 V92 A93 I94	V43-L90 HydrophobicContact CB-CD1 4.25Å; V43-L90 HydrophobicContact CG1-CD1 3.98Å; V43-L90 HydrophobicContact CG2-CD1 4.33Å; V46-L90 HydrophobicContact CB-CD1 4.05Å; V46-L90 HydrophobicContact CB-CD2 4.11Å; V46-L90 HydrophobicContact CG1-CD1 4.31Å; V46-L90 HydrophobicContact CG1-CD2 3.72Å; A47-L90 HydrophobicContact CB-CD2 4.31Å; I53-L90 HydrophobicContact CD1-CD2 4.16Å; L68-L90 HydrophobicContact CD1-CB 4.2Å; L68-L90 HydrophobicContact CD1-CD1 4.26Å; N86-L90 WeakPolarHBondContact O-CG 3.3Å; N86-L90 PolarHBondContact O-N 3.34Å; I87-L90 PolarHBondContact O-N 2.96Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.14Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 2.93Å; L90-A93 PolarHBondContact O-N 2.79Å; L90-I94 WeakPolarHBondContact O-CB 3.04Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 3.22Å
91	I	87.8	Confident	78.2	Confident	26 Å²	26	64.5 Å²	64.5	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-42.1	175.4	-72.1	168.7	0	0	0	110.1	L65 L68 R69 M72 I87 N88 T95	L65-I91 HydrophobicContact CD1-CB 4.25Å; L65-I91 HydrophobicContact CD1-CG1 4.23Å; L65-I91 HydrophobicContact CD1-CG2 3.94Å; L68-I91 HydrophobicContact CB-CD1 4.24Å; L68-I91 HydrophobicContact CB-CG1 4.23Å; R69-I91 HydrophobicContact CG-CD1 4.12Å; M72-I91 HydrophobicContact CG-CD1 4.36Å; I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.33Å; I87-I91 PolarHBondContact O-N 3.34Å; N88-I91 PolarHBondContact O-N 2.56Å; I91-T95 VanDerWaalsContact O-CB 3.23Å; I91-T95 WeakPolarHBondContact O-CB 3.33Å; I91-T95 PolarHBondContact O-N 2.83Å; I91-T95 VanDerWaalsContact O-N 3.1Å; I91-T95 PolarHBondContact O-OG1 2.87Å
92	V	86.6	Confident	75.9	Confident	73 Å²	73	64.8 Å²	64.8	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-45.9	175.9	171	0	0	0	0	111.6	N88 S89 L90 T95 R96	N88-V92 WeakPolarHBondContact O-CG2 3.37Å; N88-V92 PolarHBondContact O-N 3.5Å; S89-V92 PolarHBondContact O-N 3.25Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 2.93Å; V92-T95 PolarHBondContact O-N 3.47Å; V92-R96 HydrophobicContact CG1-CG 4.45Å; V92-R96 WeakPolarHBondContact O-CG 3.31Å; V92-R96 PolarHBondContact O-N 3.08Å
93	A	83.6	Confident	73.7	Confident	32 Å²	32	70.1 Å²	70.1	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-58.6	178.6	0	0	0	0	0	111.2	I53 S89 L90 T95 R96 V97	I53-A93 HydrophobicContact CD1-CB 4.49Å; S89-A93 WeakPolarHBondContact O-CB 3.31Å; S89-A93 PolarHBondContact O-N 3.36Å; L90-A93 PolarHBondContact O-N 2.79Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.01Å; A93-R96 PolarHBondContact O-N 3.46Å; A93-R96 VanDerWaalsContact O-N 3.11Å; A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.39Å; A93-V97 PolarHBondContact O-N 3.26Å; A93-V97 VanDerWaalsContact O-N 3.09Å
94	I	84.3	Confident	71.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-59	-38.1	-178.8	-63	165.4	0	0	0	111.6	V46 I53 R61 M62 I64 L65 L90 S98	V46-I94 HydrophobicContact CG1-CD1 4.41Å; I53-I94 HydrophobicContact CG2-CG1 3.92Å; R61-I94 HydrophobicContact CB-CG2 3.97Å; R61-I94 HydrophobicContact CG-CG2 4.41Å; M62-I94 HydrophobicContact CE-CG2 4.18Å; I64-I94 HydrophobicContact CB-CD1 4.13Å; I64-I94 HydrophobicContact CG2-CD1 3.54Å; L65-I94 HydrophobicContact CB-CG2 4.15Å; L65-I94 HydrophobicContact CD1-CB 4.46Å; L65-I94 HydrophobicContact CD1-CG2 4.43Å; L65-I94 HydrophobicContact CD2-CG2 4.3Å; L90-I94 WeakPolarHBondContact O-CB 3.04Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 3.22Å; I94-S98 WeakPolarHBondContact O-CB 3.46Å; I94-S98 PolarHBondContact O-N 3.46Å; I94-S98 VanDerWaalsContact O-N 3.15Å; I94-S98 PolarHBondContact O-OG 2.9Å
95	T	83.8	Confident	68.7	Low	49 Å²	49	80 Å²	80	30%	0.301	43%	0.432	S	S	.	.	H	α-helix	trans	-66.4	-44.1	177.6	-55	0	0	0	0	111.4	R69 I91 V92 A93 S98 T99	R69-T95 PolarHBondContact NH2-OG1 2.99Å; I91-T95 VanDerWaalsContact O-CB 3.23Å; I91-T95 WeakPolarHBondContact O-CB 3.33Å; I91-T95 PolarHBondContact O-N 2.83Å; I91-T95 VanDerWaalsContact O-N 3.1Å; I91-T95 PolarHBondContact O-OG1 2.87Å; V92-T95 PolarHBondContact O-N 3.47Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.01Å; T95-S98 PolarHBondContact O-N 2.9Å; T95-T99 WeakPolarHBondContact O-CG2 3.39Å; T95-T99 PolarHBondContact O-N 3.47Å; T95-T99 PolarHBondContact O-OG1 3.1Å
96	R	80.1	Confident	66.1	Low	181 Å²	181	78 Å²	78	68%	0.683	44%	0.435	S	S	*	.	H	α-helix	trans	-58.7	-49.3	177.1	-77.9	175.1	174.8	-179.5	-2.5	112.1	V92 A93 S98 T99 K100	V92-R96 HydrophobicContact CG1-CG 4.45Å; V92-R96 WeakPolarHBondContact O-CG 3.31Å; V92-R96 PolarHBondContact O-N 3.08Å; A93-R96 PolarHBondContact O-N 3.46Å; A93-R96 VanDerWaalsContact O-N 3.11Å; R96-S98 VanDerWaalsContact C-N 3.26Å; R96-S98 PolarHBondContact O-N 2.94Å; R96-T99 WeakPolarHBondContact CA-OG1 3.41Å; R96-T99 PolarHBondContact O-N 3.34Å; R96-T99 PolarHBondContact O-OG1 3.24Å; R96-K100 PolarHBondContact O-N 3.42Å
97	V	73.9	Confident	63.5	Low	24 Å²	24	81 Å²	81	15%	0.145	46%	0.463	C	S	.	.	H	α-helix	trans	-55.1	-44.7	178.1	175.2	0	0	0	0	110.8	E54 A93 T99 K100	E54-V97 HydrophobicContact CB-CG1 4.04Å; E54-V97 HydrophobicContact CG-CB 4.31Å; E54-V97 HydrophobicContact CG-CG1 3.64Å; E54-V97 HydrophobicContact CG-CG2 3.69Å; E54-V97 WeakPolarHBondContact OE1-CG2 3.34Å; A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.39Å; A93-V97 PolarHBondContact O-N 3.26Å; A93-V97 VanDerWaalsContact O-N 3.09Å; V97-T99 PolarHBondContact O-N 3.34Å; V97-T99 VanDerWaalsContact O-N 3.12Å; V97-K100 PolarHBondContact O-N 2.6Å
98	S	65.4	Low	61.1	Low	45 Å²	45	86.5 Å²	86.5	32%	0.315	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	5.5	-179.9	-48.2	0	0	0	0	114.1	M62 I94 T95 R96	M62-S98 WeakPolarHBondContact CE-OG 3.19Å; I94-S98 WeakPolarHBondContact O-CB 3.46Å; I94-S98 PolarHBondContact O-N 3.46Å; I94-S98 VanDerWaalsContact O-N 3.15Å; I94-S98 PolarHBondContact O-OG 2.9Å; T95-S98 PolarHBondContact O-N 2.9Å; R96-S98 VanDerWaalsContact C-N 3.26Å; R96-S98 PolarHBondContact O-N 2.94Å
99	T	58.2	Low	58.4	Low	101 Å²	101	89.3 Å²	89.3	62%	0.62	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	0.4	178.2	52.8	0	0	0	0	114.3	T95 R96 V97 P101	T95-T99 WeakPolarHBondContact O-CG2 3.39Å; T95-T99 PolarHBondContact O-N 3.47Å; T95-T99 PolarHBondContact O-OG1 3.1Å; R96-T99 WeakPolarHBondContact CA-OG1 3.41Å; R96-T99 PolarHBondContact O-N 3.34Å; R96-T99 PolarHBondContact O-OG1 3.24Å; V97-T99 PolarHBondContact O-N 3.34Å; V97-T99 VanDerWaalsContact O-N 3.12Å; T99-P101 WeakPolarHBondContact O-CD 3.5Å
100	K	48.4	Very low	56	Low	133 Å²	133	94.7 Å²	94.7	58%	0.578	53%	0.526	S	S	*	.			trans	-64.1	123.1	168.4	-77.4	179.4	170.1	176.8	0	109.5	E54 R96 V97	E54-K100 WeakPolarHBondContact OE1-CE 3.38Å; E54-K100 IonicContact OE1-NZ 2.82Å; E54-K100 PolarHBondContact OE1-NZ 2.96Å; E54-K100 IonicContact OE2-NZ 2.78Å; E54-K100 PolarHBondContact OE2-NZ 3.42Å; R96-K100 PolarHBondContact O-N 3.42Å; V97-K100 PolarHBondContact O-N 2.6Å
101	P	34.9	Very low	53.5	Low	88 Å²	88	102.3 Å²	102.3	57%	0.571	56%	0.561	S	S	*	*			trans	-68.2	154.4	161.9	32	-33.6	0	0	0	109.4	T99 E103	T99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-E103 HydrophobicContact CB-CG 4.25Å; P101-E103 HydrophobicContact CG-CG 4.04Å; P101-E103 PolarHBondContact O-N 3.47Å
102	A	33.5	Very low	50.9	Low	107 Å²	107	108 Å²	108	88%	0.884	59%	0.592	S	S	*	*			trans	-81.1	104	164.9	0	0	0	0	0	107.5
103	E	36.7	Very low	48.5	Very low	162 Å²	162	108.6 Å²	108.6	76%	0.757	61%	0.605	S	S	*	*			trans	-112.4	136.3	174.7	-73.8	176.7	177.2	0	0	109.3	P101	P101-E103 HydrophobicContact CB-CG 4.25Å; P101-E103 HydrophobicContact CG-CG 4.04Å; P101-E103 PolarHBondContact O-N 3.47Å
104	N	31	Very low	46	Very low	125 Å²	125	116.4 Å²	116.4	67%	0.668	64%	0.636	S	S	*	*			trans	-62.5	156.4	-162.9	-55.6	6.9	0	0	0	114.1	D106	N104-D106 PolarHBondContact ND2-OD2 3.03Å
105	N	35.8	Very low	43.5	Very low	170 Å²	170	120.3 Å²	120.3	91%	0.909	68%	0.676	S	S	*	*			trans	-127.4	111.1	138	-75.9	-78.5	0	0	0	107.3
106	D	30.9	Very low	41.2	Very low	131 Å²	131	123 Å²	123	70%	0.701	70%	0.696	S	S	*	*			trans	-87.6	174	176	-83.5	-66.6	0	0	0	111.7	N104	N104-D106 PolarHBondContact ND2-OD2 3.03Å
107	A	32	Very low	38.9	Very low	93 Å²	93	120.9 Å²	120.9	77%	0.769	70%	0.699	S	S	*	*			trans	74.9	133.2	174.7	0	0	0	0	0	115.6
108	T	36.3	Very low	37.1	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	73%	0.727	S	S	*	*			cis	-141.1	142.3	16.9	49.3	0	0	0	0	113.3
109	D	31	Very low	35.7	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	75%	0.749	S	S	*	*			trans	24.4	128	135.3	-33.6	-33.8	0	0	0	118.3
110	F	35	Very low	34.6	Very low	192 Å²	192	132.4 Å²	132.4	84%	0.842	76%	0.759	S	S	*	*				-159.1	168.5	65.6	-116.3	-89.9	0	0	0	114.4
111	E	34.7	Very low	33.8	Very low	168 Å²	168	129.3 Å²	129.3	79%	0.785	77%	0.765	S	S	*	*			trans	-74.5	177.4	176.4	-52.6	177.9	123.1	0	0	111.7
112	D	32.8	Very low	33.8	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	77%	0.774	S	S	*	*			cis	-164.2	-168.4	21.5	-161	-0.7	0	0	0	111.9
113	A	36.2	Very low	33.7	Very low	86 Å²	86	132.8 Å²	132.8	71%	0.711	77%	0.772	S	S	*	*			trans	88.1	79.2	157	0	0	0	0	0	119.3
114	Q	30.6	Very low	33.4	Very low	197 Å²	197	135.3 Å²	135.3	92%	0.921	78%	0.776	S	S	*	*			trans	-6.7	140.8	144.2	-58.8	174.3	-8.1	0	0	119.7
115	G	32.5	Very low	33.3	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	78%	0.784	S	S	*	*			trans	-159	105.5	163.9	0	0	0	0	0	111.9
116	S	35.8	Very low	33	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	77%	0.768	S	S	*	*			trans	-80.9	144.3	-160.5	54.7	0	0	0	0	117.5
117	N	32.5	Very low	33	Very low	137 Å²	137	130 Å²	130	73%	0.733	77%	0.766	S	S	*	*			trans	67.8	154.6	146.6	-63.2	21.6	0	0	0	117.6
118	E	34.2	Very low	33	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	77%	0.774	S	S	*	*			cis	-156.5	167.5	9.2	-142.6	157	-106.6	0	0	114.2
119	V	37.4	Very low	32.7	Very low	128 Å²	128	134.5 Å²	134.5	78%	0.776	78%	0.775	S	S	*	*			trans	79.7	131.3	165.4	-176.4	0	0	0	0	117.9
120	P	33.8	Very low	32.6	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	78%	0.778	S	S	*	*			trans	-107.5	164.3	-165	41.3	-36	0	0	0	116.1
121	G	32.6	Very low	32.3	Very low	68 Å²	68	133.6 Å²	133.6	70%	0.701	78%	0.778	S	S	*	*			trans	-150.9	115.4	170.8	0	0	0	0	0	114.5
122	S	34.7	Very low	31.9	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	79%	0.785	S	S	*	*	S	Bend	trans	53.7	123.5	160.9	57.5	0	0	0	0	121.7
123	D	32.2	Very low	31.6	Very low	158 Å²	158	130 Å²	130	85%	0.845	78%	0.781	S	S	*	*			trans	82.7	87.3	133.2	-59.9	2.5	0	0	0	120.5
124	Y	29.5	Very low	31.2	Very low	215 Å²	215	130.7 Å²	130.7	84%	0.843	79%	0.787	S	S	*	*			trans	-68.8	128.8	173	-153.7	-98	0	0	0	113.1
125	V	28.1	Very low	31.1	Very low	138 Å²	138	126 Å²	126	84%	0.836	78%	0.776	S	S	*	*			trans	-88.7	112.1	166.4	176.1	0	0	0	0	110.1
126	S	30.9	Very low	31.1	Very low	83 Å²	83	127.9 Å²	127.9	58%	0.58	77%	0.771	S	S	*	*			trans	-154.1	114.2	153.8	-94.8	0	0	0	0	111
127	S	29.8	Very low	30.9	Very low	94 Å²	94	129.8 Å²	129.8	66%	0.657	77%	0.768	S	S	*	*				83.9	122.2	60.2	83.4	0	0	0	0	113.1
128	K	33.5	Very low	31	Very low	215 Å²	215	130.7 Å²	130.7	94%	0.935	77%	0.766	S	S	*	*			trans	-166.7	117.6	139	-109.3	161	-172.7	172	0	109.4
129	A	28.3	Very low	31	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	77%	0.767	S	S	*	*			trans	-106.1	162.7	-179.8	0	0	0	0	0	111.2
130	S	29.2	Very low	30.7	Very low	110 Å²	110	133.2 Å²	133.2	77%	0.769	77%	0.771	S	S	*	*			trans	76.2	146.1	148.3	-67.8	0	0	0	0	121.3
131	K	30.3	Very low	30.6	Very low	196 Å²	196	130.1 Å²	130.1	85%	0.852	76%	0.762	S	S	*	*			trans	61.8	91.3	150.2	-73.1	177.7	175.7	177.5	0	118.9
132	V	24.2	Very low	30.6	Very low	152 Å²	152	135.4 Å²	135.4	92%	0.921	77%	0.768	S	S	*	*			trans	-58.3	122.7	132.8	173.4	0	0	0	0	109.7
133	A	26.6	Very low	30.6	Very low	84 Å²	84	138.1 Å²	138.1	69%	0.694	77%	0.769	S	S	*	*			trans	-175.5	119.5	148.7	0	0	0	0	0	111.3
134	A	28.9	Very low	30.5	Very low	102 Å²	102	137.9 Å²	137.9	84%	0.843	77%	0.768	S	S	*	*			trans	61	148	171.6	0	0	0	0	0	116.8
135	S	28.2	Very low	30.5	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	76%	0.763	S	S	*	*			cis	-158.7	-177.3	-12.6	51.9	0	0	0	0	110.3
136	T	32.9	Very low	30.7	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	76%	0.761	S	S	*	*			trans	69.2	104	153.1	34.4	0	0	0	0	120.2
137	E	30.6	Very low	30.6	Very low	144 Å²	144	132.1 Å²	132.1	67%	0.673	77%	0.77	S	S	*	*			trans	85.4	133.9	134.2	-67.6	-145.3	100.9	0	0	123.7
138	K	34.3	Very low	31	Very low	156 Å²	156	132.7 Å²	132.7	68%	0.678	77%	0.772	S	S	*	*			trans	67.9	135.5	147.5	-70.5	158.2	-178.7	148.3	0	117.7
139	K	34.2	Very low	30.7	Very low	175 Å²	175	131.6 Å²	131.6	76%	0.761	77%	0.767	S	S	*	*			cis	-165.5	158	-9.1	-135.3	-176.2	179.4	-177.3	0	110
140	L	32.1	Very low	30.9	Very low	164 Å²	164	135 Å²	135	86%	0.859	77%	0.773	S	S	*	*			trans	64.9	141.3	175	-76.5	71.4	0	0	0	116.2
141	G	30.6	Very low	31	Very low	62 Å²	62	139.1 Å²	139.1	64%	0.639	78%	0.777	S	S	*	*			cis	179.2	156.6	-9	0	0	0	0	0	115
142	H	33.6	Very low	30.9	Very low	179 Å²	179	132.7 Å²	132.7	83%	0.829	77%	0.766	S	S	*	*			trans	70.1	138.5	171	-60.9	-9	0	0	0	116.7
143	Q	33.8	Very low	31.2	Very low	166 Å²	166	133.7 Å²	133.7	78%	0.776	77%	0.765	S	S	*	*			cis	-146.6	160	-2.7	-123.3	169.3	39.5	0	0	113.5
144	N	31.4	Very low	31.3	Very low	154 Å²	154	136 Å²	136	82%	0.824	77%	0.766	S	S	*	*			trans	-66.5	167.1	178.2	-66.7	-13.2	0	0	0	112.6
145	S	29.1	Very low	31.6	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	76%	0.763	S	S	*	*			cis	-175.8	179.5	-16.7	54.6	0	0	0	0	110.1
146	A	33.3	Very low	31.7	Very low	95 Å²	95	137.9 Å²	137.9	79%	0.785	76%	0.755	S	S	*	*			trans	77.2	124.4	152.7	0	0	0	0	0	121.2
147	S	27.6	Very low	31.8	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	76%	0.755	S	S	*	*			trans	-96.9	-174.7	165.2	-36.2	0	0	0	0	109.9
148	P	37.3	Very low	32.1	Very low	107 Å²	107	141.1 Å²	141.1	70%	0.695	76%	0.759	S	S	*	*			cis	-133	-174.4	-45.6	30.9	-10.9	0	0	0	113
149	K	28	Very low	32.1	Very low	191 Å²	191	139.5 Å²	139.5	83%	0.83	76%	0.757	S	S	*	*			trans	75.8	119.3	167.7	-50.5	171.9	178.8	175.1	0	117.1
150	L	32.3	Very low	32	Very low	161 Å²	161	136.6 Å²	136.6	84%	0.843	75%	0.754	S	S	*	*				-178.6	169.2	107	-98.7	162.6	0	0	0	113.6
151	K	31.7	Very low	32.4	Very low	195 Å²	195	136.4 Å²	136.4	85%	0.848	75%	0.751	S	S	*	*			trans	-46	149.9	-176.3	-58.5	159.6	175.3	176.8	0	116.9
152	G	27.2	Very low	32.7	Very low	61 Å²	61	143.5 Å²	143.5	63%	0.629	76%	0.758	S	S	*	*				128	133.5	107.9	0	0	0	0	0	119.6
153	L	31.9	Very low	32.9	Very low	174 Å²	174	140 Å²	140	91%	0.911	75%	0.753	S	S	*	*			trans	60.4	170.9	164.2	-61.3	98.4	0	0	0	118.1
154	N	28.6	Very low	33.1	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	75%	0.753	S	S	*	*				177	153.7	-56.8	-137.3	29.2	0	0	0	106.4
155	E	34	Very low	33.4	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	75%	0.749	S	S	*	*			trans	65.5	159.6	165.3	-65.7	176.5	-133.8	0	0	118.7
156	S	31	Very low	33.8	Very low	72 Å²	72	144.4 Å²	144.4	50%	0.503	75%	0.754	S	S	.	*			cis	-165.9	167.4	-31.9	60.5	0	0	0	0	110.5
157	K	35.1	Very low	34	Very low	175 Å²	175	149.1 Å²	149.1	76%	0.761	76%	0.757	S	S	*	*			trans	71.1	160	169.5	-55.2	147.7	-170.3	165.5	0	114.1
158	Q	36.9	Very low	34.5	Very low	159 Å²	159	149.8 Å²	149.8	74%	0.743	76%	0.758	S	S	*	*			cis	-167.7	174.2	-16.1	-106.6	178.8	-2	0	0	107.2
159	N	34.1	Very low	34.6	Very low	121 Å²	121	154.3 Å²	154.3	65%	0.647	77%	0.77	S	S	*	*			cis	-157.8	155.4	0.3	-126.9	-19.1	0	0	0	113.5
160	V	32.5	Very low	34.8	Very low	115 Å²	115	155.3 Å²	155.3	70%	0.697	78%	0.775	S	S	*	*			trans	17.3	130	148.5	177.8	0	0	0	0	122.9
161	M	40.7	Very low	35	Very low	160 Å²	160	151.4 Å²	151.4	79%	0.788	77%	0.773	S	S	*	*			trans	-155.3	118.6	133.1	-105.9	-63.2	180	0	0	114.1
162	R	35.8	Very low	35	Very low	211 Å²	211	151.8 Å²	151.8	80%	0.796	78%	0.775	S	S	*	*			trans	5.3	147.9	145.9	-65.6	173.1	172.6	172.9	-3.9	119.7
163	S	39.3	Very low	35.5	Very low	104 Å²	104	156.9 Å²	156.9	73%	0.727	79%	0.786	S	S	*	*			cis	-165.8	-152.5	0.6	45.1	0	0	0	0	109.5
164	K	38.2	Very low	35.7	Very low	175 Å²	175	153.1 Å²	153.1	76%	0.761	77%	0.774	S	S	*	*			cis	-169.4	115.9	14.3	-153.7	-177.8	-173.3	-179.2	0	113.8
165	T	36.5	Very low	35.9	Very low	123 Å²	123	153.1 Å²	153.1	76%	0.755	78%	0.779	S	S	*	*			trans	62.2	156.1	156.9	48.6	0	0	0	0	120.6
166	R	38.1	Very low	35.8	Very low	222 Å²	222	149.5 Å²	149.5	84%	0.838	78%	0.778	S	S	*	*			cis	-155.2	128.8	4.7	-134.4	173.9	-171.1	-167.9	2.9	114.6
167	K	37.8	Very low	36.1	Very low	194 Å²	194	155 Å²	155	84%	0.843	79%	0.792	S	S	*	*			trans	40.7	138.9	144	-68.6	-171.2	171.8	-169.9	0	125
168	P	37.8	Very low	36.1	Very low	126 Å²	126	153.6 Å²	153.6	82%	0.818	79%	0.793	S	S	*	*			trans	-109.1	178.1	162.2	42.1	-33.9	0	0	0	114.3
169	Q	38.8	Very low	35.9	Very low	203 Å²	203	149.4 Å²	149.4	95%	0.949	79%	0.785	S	S	*	*			trans	-152.7	166.9	165.5	-137.2	166.1	-7.5	0	0	113.9
170	K	31.7	Very low	35.9	Very low	212 Å²	212	150.7 Å²	150.7	92%	0.922	79%	0.792	S	S	*	*			trans	-106.1	155.1	-171.5	-70.1	175.9	175.3	173.7	0	113.5
171	G	36.3	Very low	35.9	Very low	79 Å²	79	150.7 Å²	150.7	81%	0.814	79%	0.792	S	S	*	*			trans	-142.7	151.1	160.9	0	0	0	0	0	112
172	K	33.4	Very low	35.5	Very low	203 Å²	203	148 Å²	148	88%	0.883	79%	0.79	S	S	*	*			trans	-130.7	-176.3	175	-97.5	-169.5	174	-172.4	0	108.4
173	I	37.3	Very low	35.4	Very low	167 Å²	167	142.8 Å²	142.8	86%	0.856	79%	0.785	S	S	*	*			trans	94.4	133.3	173.3	-56.7	162.2	0	0	0	112.5
174	S	36.2	Very low	35.1	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	79%	0.792	S	S	*	*			cis	-166	166.1	-18.8	57.2	0	0	0	0	113.1
175	T	31.8	Very low	34.8	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	79%	0.794	S	S	*	*			trans	-12.2	149.6	151.6	54.2	0	0	0	0	118.9
176	A	33.6	Very low	34.4	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	80%	0.796	S	S	*	*			cis	-146.4	-143	12.2	0	0	0	0	0	111.3
177	K	36	Very low	34.1	Very low	186 Å²	186	137.6 Å²	137.6	81%	0.809	79%	0.788	S	S	*	*			cis	-160.4	178	7.7	-142.7	179.1	-177.7	-175.1	0	112.8
178	L	34.5	Very low	33.6	Very low	147 Å²	147	134.4 Å²	134.4	77%	0.77	78%	0.78	S	S	*	*			trans	-26.2	160.5	163.7	-63.6	162.9	0	0	0	119
179	A	33.7	Very low	33.4	Very low	70 Å²	70	138.9 Å²	138.9	58%	0.579	79%	0.787	S	S	*	*			cis	-177	165.5	-15.6	0	0	0	0	0	111.3
180	N	34	Very low	33	Very low	148 Å²	148	132.7 Å²	132.7	79%	0.791	78%	0.778	S	S	*	*			trans	50.9	147	147.5	-65.2	8.9	0	0	0	121.4
181	T	32.3	Very low	32.9	Very low	115 Å²	115	131.5 Å²	131.5	71%	0.706	78%	0.776	S	S	*	*			cis	-164.6	155.9	-7.9	16.8	0	0	0	0	110.9
182	S	32.4	Very low	32.7	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	78%	0.775	S	S	*	*			trans	66.8	143.2	147.1	58.5	0	0	0	0	124.4
183	S	33.7	Very low	32.5	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	77%	0.772	S	S	*	*			trans	74.8	106.7	146.8	58.1	0	0	0	0	122.8
184	S	32.7	Very low	32.1	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	77%	0.769	S	S	*	*			trans	56.5	126.8	134.3	62	0	0	0	0	121.5
185	G	31.6	Very low	31.9	Very low	79 Å²	79	136.9 Å²	136.9	81%	0.814	77%	0.771	S	S	*	*			trans	162.9	103.2	165.5	0	0	0	0	0	112.8
186	E	29.5	Very low	31.6	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	77%	0.774	S	S	*	*			trans	-56.2	155.2	-173.8	-95.1	-172.4	87.3	0	0	118.7
187	Q	31.2	Very low	31.4	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.673	77%	0.769	S	S	*	*			trans	79.1	118.8	143.9	-76.1	-177.8	49.1	0	0	123
188	N	27.9	Very low	31.1	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	77%	0.771	S	S	*	*			trans	65.6	100.1	131	-64.6	-37.2	0	0	0	120.8
189	K	32.4	Very low	30.9	Very low	219 Å²	219	135 Å²	135	95%	0.952	77%	0.774	S	S	*	*				-177.3	151.8	110	-99.3	157.7	-174.9	171.9	0	113
190	G	30.7	Very low	30.7	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	78%	0.778	S	S	*	*			trans	101.8	83.4	151.3	0	0	0	0	0	117.3
191	E	29.3	Very low	30.6	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	77%	0.774	S	S	*	*				-164.3	146.7	105.1	-101.8	-171.9	135.5	0	0	110.3
192	K	32.3	Very low	30.6	Very low	184 Å²	184	135.2 Å²	135.2	80%	0.8	78%	0.777	S	S	*	*			trans	-138.5	98.1	173.1	-88	-166.6	174.1	-173	0	109.4
193	Q	30.1	Very low	30.6	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	78%	0.782	S	S	*	*			trans	-74.9	123.4	157.5	-69.2	-178.1	-8.3	0	0	108.2
194	F	28.7	Very low	30.4	Very low	182 Å²	182	141.7 Å²	141.7	80%	0.798	78%	0.784	S	S	*	*			trans	-90.3	120.1	166.1	-104.9	-91.6	0	0	0	108.2
195	V	31.4	Very low	30.5	Very low	116 Å²	116	141.7 Å²	141.7	70%	0.703	78%	0.78	S	S	*	*			trans	-125	121.1	167.4	179.2	0	0	0	0	106.8	A197	V195-A197 PolarHBondContact O-N 3.47Å
196	D	26.9	Very low	30.5	Very low	164 Å²	164	145 Å²	145	88%	0.877	78%	0.778	S	S	*	*			trans	-66.8	112.6	175.3	-95.8	-38.6	0	0	0	109.9
197	A	27.8	Very low	30.6	Very low	80 Å²	80	146.5 Å²	146.5	66%	0.661	78%	0.782	S	S	*	*			trans	-115.1	107.3	175.2	0	0	0	0	0	109.5	V195 T199	V195-A197 PolarHBondContact O-N 3.47Å; A197-T199 PolarHBondContact O-N 3.06Å
198	V	30.8	Very low	30.6	Very low	138 Å²	138	149 Å²	149	84%	0.836	79%	0.794	S	S	*	*			trans	-69.5	103.6	174.1	177.9	0	0	0	0	108.9	T200	V198-T200 PolarHBondContact O-N 3.36Å
199	T	29.7	Very low	30.8	Very low	135 Å²	135	147.2 Å²	147.2	83%	0.828	80%	0.797	S	S	*	*			trans	-64.6	102.8	-175	-48.1	0	0	0	0	111.6	A197 A201	A197-T199 PolarHBondContact O-N 3.06Å; T199-A201 PolarHBondContact O-N 2.94Å
200	T	30.2	Very low	30.7	Very low	110 Å²	110	145.1 Å²	145.1	68%	0.675	79%	0.79	S	S	*	*			trans	-70.4	126.9	173.9	-61.3	0	0	0	0	109.9	V198 N202	V198-T200 PolarHBondContact O-N 3.36Å; T200-N202 PolarHBondContact O-N 3.24Å; T200-N202 VanDerWaalsContact O-N 3.12Å
201	A	32.1	Very low	30.8	Very low	85 Å²	85	148.6 Å²	148.6	70%	0.702	79%	0.792	S	S	*	*			trans	-74.7	99.9	174.5	0	0	0	0	0	110.1	T199 F203	T199-A201 PolarHBondContact O-N 2.94Å; A201-F203 PolarHBondContact O-N 2.66Å
202	N	31.6	Very low	30.9	Very low	143 Å²	143	146 Å²	146	77%	0.765	78%	0.78	S	S	*	*			trans	-67.8	117.6	178.6	-73.2	-23.4	0	0	0	111.3	T200	T200-N202 PolarHBondContact O-N 3.24Å; T200-N202 VanDerWaalsContact O-N 3.12Å
203	F	31.4	Very low	30.8	Very low	194 Å²	194	145.2 Å²	145.2	85%	0.851	78%	0.776	S	S	*	*			trans	-79.7	118.7	160.7	-82.1	-88.8	0	0	0	109.3	A201 T205	A201-F203 PolarHBondContact O-N 2.66Å; F203-T205 PolarHBondContact O-N 3.08Å
204	I	31	Very low	30.7	Very low	147 Å²	147	141.2 Å²	141.2	75%	0.754	77%	0.773	S	S	*	*			trans	-78.9	110.6	172.8	-59.6	174.8	0	0	0	108.4	N206	I204-N206 WeakPolarHBondContact CG2-OD1 3.23Å
205	T	33.1	Very low	31	Very low	124 Å²	124	138.4 Å²	138.4	76%	0.761	78%	0.776	S	S	*	*			trans	-120.3	97.6	164.8	42	0	0	0	0	108.8	F203 K207	F203-T205 PolarHBondContact O-N 3.08Å; T205-K207 PolarHBondContact O-N 2.89Å
206	N	32.5	Very low	30.8	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	78%	0.777	S	S	*	*			trans	-62	122.4	175.8	-72.8	5.5	0	0	0	109.4	I204	I204-N206 WeakPolarHBondContact CG2-OD1 3.23Å
207	K	31.7	Very low	30.9	Very low	200 Å²	200	136.3 Å²	136.3	87%	0.87	78%	0.776	S	S	*	*			trans	-98.8	114.1	161	-78.6	-172.1	173.9	-172.4	0	108.2	T205	T205-K207 PolarHBondContact O-N 2.89Å
208	E	31.3	Very low	30.8	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	78%	0.782	S	S	*	*			trans	-119.6	139.3	148.4	-69.3	-174.6	137.8	0	0	106.7
209	A	32.8	Very low	30.8	Very low	89 Å²	89	143.3 Å²	143.3	74%	0.736	78%	0.784	S	S	*	*			trans	-121	124.2	-174.8	0	0	0	0	0	109.2
210	E	30.2	Very low	30.8	Very low	175 Å²	175	145.6 Å²	145.6	82%	0.818	78%	0.782	S	S	*	*			trans	27.5	112.6	145.4	-59	173.3	159.1	0	0	116.9
211	N	31.9	Very low	30.6	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	79%	0.785	S	S	*	*				-165.5	153.2	97	-106.8	-65.4	0	0	0	116.7
212	E	30.9	Very low	30.4	Very low	133 Å²	133	150.1 Å²	150.1	62%	0.621	79%	0.794	S	S	*	*			trans	62.1	112.8	154.3	-58.4	-130.5	117.6	0	0	123
213	K	30.8	Very low	30.3	Very low	167 Å²	167	148.6 Å²	148.6	73%	0.726	79%	0.785	S	S	*	*			trans	69.3	104.4	130.2	-63.6	168.7	-179.4	150.3	0	120.6
214	A	29.1	Very low	30.2	Very low	90 Å²	90	146.1 Å²	146.1	74%	0.744	79%	0.785	S	S	*	*				146.2	139.6	101.7	0	0	0	0	0	114.9
215	S	33	Very low	30.1	Very low	123 Å²	123	148.1 Å²	148.1	86%	0.86	79%	0.785	S	S	*	*			trans	47	122.3	156	58.2	0	0	0	0	121.7
216	G	28	Very low	30	Very low	71 Å²	71	146 Å²	146	73%	0.732	79%	0.788	S	S	*	*			trans	135.8	99.7	135.7	0	0	0	0	0	119
217	L	29.3	Very low	29.8	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	78%	0.783	S	S	*	*			trans	51.4	99.7	144.9	-74.5	154.7	0	0	0	120.7
218	E	25.1	Very low	29.8	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	79%	0.787	S	S	*	*			trans	22.2	127.5	136.7	-55.1	-172.1	161.3	0	0	121.5
219	F	30.3	Very low	29.8	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.864	78%	0.777	S	S	*	*			trans	-150.2	92.9	138.5	-118.7	-77.4	0	0	0	114.3
220	K	30.1	Very low	29.6	Very low	183 Å²	183	145 Å²	145	80%	0.796	79%	0.786	S	S	*	*			trans	34.2	128.1	150.7	-69.7	173.4	178.4	168.6	0	122.2
221	E	27.3	Very low	29.7	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	79%	0.787	S	S	*	*			trans	-62.4	171.1	157.9	-58	175.8	99.3	0	0	114	I223	E221-I223 WeakPolarHBondContact OE1-CD1 3.4Å
222	C	27.9	Very low	29.5	Very low	133 Å²	133	143 Å²	143	90%	0.899	79%	0.79	S	S	*	*			trans	-136.1	79.4	160.4	-86.8	0	0	0	0	111.8
223	I	28.1	Very low	29.6	Very low	112 Å²	112	144.2 Å²	144.2	57%	0.574	80%	0.801	S	S	*	*			trans	-87	133.9	163	-63.6	172.9	0	0	0	108.5	E221 Y225	E221-I223 WeakPolarHBondContact OE1-CD1 3.4Å; I223-Y225 HydrophobicContact CG2-CD2 4.35Å; I223-Y225 HydrophobicContact CG2-CE2 4.4Å
224	V	30.4	Very low	29.5	Very low	141 Å²	141	146 Å²	146	86%	0.855	81%	0.809	S	S	*	*			trans	-95	106.9	176.2	-179.4	0	0	0	0	110
225	Y	29.3	Very low	29.6	Very low	190 Å²	190	146 Å²	146	75%	0.745	81%	0.809	S	S	*	*			trans	-75.8	148.6	176.8	-91.7	-96.7	0	0	0	113.5	I223	I223-Y225 HydrophobicContact CG2-CD2 4.35Å; I223-Y225 HydrophobicContact CG2-CE2 4.4Å
226	G	29.7	Very low	29.4	Very low	80 Å²	80	148 Å²	148	83%	0.825	81%	0.807	S	S	*	*			trans	-121.7	100.9	153.6	0	0	0	0	0	109
227	S	28	Very low	29.5	Very low	97 Å²	97	154.5 Å²	154.5	68%	0.678	82%	0.815	S	S	*	*			trans	-90.1	139.4	-171.6	-56.1	0	0	0	0	113.4
228	L	31.9	Very low	29.3	Very low	184 Å²	184	151.5 Å²	151.5	96%	0.963	80%	0.803	S	S	*	*			trans	-146.3	165.2	134.4	-140	71.3	0	0	0	109.9
229	A	32.2	Very low	29.5	Very low	85 Å²	85	150.8 Å²	150.8	70%	0.702	80%	0.802	S	S	*	*			trans	-118.2	151.2	-151.8	0	0	0	0	0	115.3
230	R	28.6	Very low	29.5	Very low	247 Å²	247	145.9 Å²	145.9	93%	0.932	79%	0.79	S	S	*	*			trans	40.9	106.2	146.4	-64.3	177.4	178.1	-179.8	-1.5	118.4
231	S	31.7	Very low	29.5	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	79%	0.79	S	S	*	*				-152.6	154	111.4	54.8	0	0	0	0	109.9
232	N	28	Very low	29.4	Very low	160 Å²	160	142.4 Å²	142.4	86%	0.856	79%	0.787	S	S	*	*			trans	-77.6	135.9	165.5	-66.1	-28.8	0	0	0	107.7
233	D	33.1	Very low	29.4	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	79%	0.787	S	S	*	*			trans	-157.5	164	130.2	-127	-38.3	0	0	0	113.7	A235	D233-A235 PolarHBondContact O-N 3.37Å
234	K	28.8	Very low	29.3	Very low	206 Å²	206	150 Å²	150	90%	0.896	80%	0.797	S	S	*	*			trans	-81.7	111.3	-175.8	-65.2	168.7	-177.7	168.9	0	111.3
235	A	32	Very low	29.2	Very low	90 Å²	90	149 Å²	149	74%	0.744	80%	0.797	S	S	*	*			trans	-125.3	117.6	165.5	0	0	0	0	0	110.5	D233 F237	D233-A235 PolarHBondContact O-N 3.37Å; A235-F237 PolarHBondContact O-N 3.25Å
236	M	27.2	Very low	29.3	Very low	165 Å²	165	146.1 Å²	146.1	81%	0.813	80%	0.799	S	S	*	*			trans	-71.6	125.1	169.6	-69	169	62.4	0	0	109.1
237	F	30.7	Very low	29.5	Very low	206 Å²	206	145.5 Å²	145.5	90%	0.904	78%	0.782	S	S	*	*			trans	-128	69.7	160.3	-113.5	-80.1	0	0	0	111	A235 M239	A235-F237 PolarHBondContact O-N 3.25Å; F237-M239 PolarHBondContact O-N 3.49Å
238	T	25.9	Very low	30	Very low	102 Å²	102	148.7 Å²	148.7	63%	0.626	78%	0.779	S	S	*	*			trans	-75.1	113.9	169.1	-41.5	0	0	0	0	109
239	M	29.5	Very low	30.1	Very low	153 Å²	153	141 Å²	141	75%	0.754	74%	0.744	S	S	*	*				175.7	149.6	116	-88.7	-58.7	-88.4	0	0	111.1	F237	F237-M239 PolarHBondContact O-N 3.49Å
240	P	30	Very low	30.7	Very low	94 Å²	94	139.9 Å²	139.9	61%	0.61	73%	0.726	S	S	*	*			trans	-98.7	175.3	-177.7	40	-35.2	0	0	0	112.2
241	H	28.7	Very low	31.9	Very low	174 Å²	174	132 Å²	132	81%	0.806	70%	0.701	S	S	*	*				-162.3	133.7	128.4	-96.4	-10.6	0	0	0	114.9	Q243	H241-Q243 PolarHBondContact O-N 2.89Å
242	S	25.3	Very low	33	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	66%	0.663	S	S	*	*			trans	-19.6	106.7	161.6	165.2	0	0	0	0	117.3
243	Q	28.4	Very low	34.3	Very low	194 Å²	194	121.5 Å²	121.5	91%	0.907	63%	0.633	S	S	*	*			trans	-84.1	105.3	143.3	-76.5	-169.1	-13.2	0	0	108.8	H241 S245	H241-Q243 PolarHBondContact O-N 2.89Å; Q243-S245 PolarHBondContact O-N 3.31Å
244	R	26.1	Very low	35.4	Very low	210 Å²	210	116.6 Å²	116.6	79%	0.792	61%	0.609	S	S	*	*			trans	-63.2	116.7	173.8	-81.5	-179.2	171.1	177	-5	109.1	T246	R244-T246 VanDerWaalsContact C-N 3.27Å; R244-T246 PolarHBondContact O-N 3.36Å
245	S	27.7	Very low	36.6	Very low	121 Å²	121	109 Å²	109	85%	0.846	58%	0.582	S	S	*	*			trans	-73.8	79.1	169	41.8	0	0	0	0	110.4	Q243 S247	Q243-S245 PolarHBondContact O-N 3.31Å; S245-S247 PolarHBondContact O-N 3.29Å; S245-S247 VanDerWaalsContact O-N 3.12Å
246	T	31.8	Very low	37.1	Very low	129 Å²	129	111.9 Å²	111.9	79%	0.791	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.3	116.1	172.8	40.6	0	0	0	0	109.7	R244 R248	R244-T246 VanDerWaalsContact C-N 3.27Å; R244-T246 PolarHBondContact O-N 3.36Å; T246-R248 PolarHBondContact O-N 2.9Å
247	S	33.9	Very low	38.1	Very low	66 Å²	66	105.3 Å²	105.3	46%	0.462	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-65.2	128	-173.8	48.9	0	0	0	0	111	Y44 S245 G249	Y44-S247 WeakPolarHBondContact CE1-O 3.42Å; S245-S247 PolarHBondContact O-N 3.29Å; S245-S247 VanDerWaalsContact O-N 3.12Å; S247-G249 PolarHBondContact O-N 3.03Å
248	R	38.2	Very low	38.9	Very low	165 Å²	165	100.5 Å²	100.5	62%	0.623	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-61.1	122.6	170.2	-75.9	174.6	164.5	167.2	-6.2	110.3	Y44 T246	Y44-R248 PolarHBondContact OH-O 3.12Å; T246-R248 PolarHBondContact O-N 2.9Å
249	G	34.8	Very low	39.6	Very low	21 Å²	21	100.1 Å²	100.1	22%	0.216	54%	0.536	C	S	.	.			trans	-162.3	124.2	164.3	0	0	0	0	0	108.7	S247 M251	S247-G249 PolarHBondContact O-N 3.03Å; G249-M251 PolarHBondContact O-N 3.47Å
250	D	45	Very low	40.5	Very low	62 Å²	62	94.1 Å²	94.1	33%	0.332	51%	0.507	S	S	.	.			trans	32.8	69.8	162.4	-53.6	-13.7	0	0	0	116	Y37 M41 F252	Y37-D250 HydrophobicContact CE2-CB 4.46Å; Y37-D250 WeakPolarHBondContact CE2-OD2 3.43Å; M41-D250 HydrophobicContact CE-CB 4.19Å; M41-D250 HydrophobicContact SD-CB 3.41Å; M41-D250 WeakPolarHBondContact SD-CB 3.48Å; D250-F252 PolarHBondContact O-N 3.4Å
251	M	52.5	Low	41.1	Very low	83 Å²	83	93.2 Å²	93.2	41%	0.409	50%	0.503	S	S	.	.	S	Bend	trans	-63.2	-0.6	174	-82.9	159.5	44.4	0	0	114.5	G249 P278 L281	G249-M251 PolarHBondContact O-N 3.47Å; M251-P278 WeakPolarHBondContact O-CD 3.32Å; M251-L281 HydrophobicContact CE-CD1 4.05Å
252	F	55.6	Low	41.7	Very low	9 Å²	9	85.1 Å²	85.1	4%	0.039	47%	0.466	C	S	.	.	S	Bend	trans	-147.5	145.4	-170	-42	-73.3	0	0	0	110.9	D250 M275 V276 I277 L281 H336 L339	D250-F252 PolarHBondContact O-N 3.4Å; F252-M275 HydrophobicContact CB-CE 3.74Å; F252-M275 HydrophobicContact CD1-CE 4.29Å; F252-M275 HydrophobicContact CD2-CE 4.22Å; F252-M275 HydrophobicContact CG-CE 3.79Å; F252-V276 WeakPolarHBondContact CA-O 3.33Å; F252-I277 HydrophobicContact CD1-CB 3.81Å; F252-I277 HydrophobicContact CD1-CG2 3.65Å; F252-I277 HydrophobicContact CE1-CB 4.23Å; F252-I277 HydrophobicContact CE1-CG2 4.32Å; F252-I277 HydrophobicContact CG-CG2 4.42Å; F252-L281 HydrophobicContact CE1-CD1 4.29Å; F252-L281 HydrophobicContact CZ-CD1 4.47Å; F252-H336 AromaticContact CD2-CD2 3.74Å; F252-H336 AromaticContact CE2-CD2 3.87Å; F252-L339 HydrophobicContact CD1-CD1 3.99Å; F252-L339 HydrophobicContact CE1-CB 3.84Å; F252-L339 HydrophobicContact CE1-CD1 3.49Å; F252-L339 VanDerWaalsContact CE1-CD1 3.49Å; F252-L339 HydrophobicContact CE1-CG 4.15Å; F252-L339 HydrophobicContact CE2-CB 4.03Å; F252-L339 HydrophobicContact CE2-CD1 4.43Å; F252-L339 HydrophobicContact CZ-CB 3.28Å; F252-L339 HydrophobicContact CZ-CD1 3.75Å; F252-L339 HydrophobicContact CZ-CG 4.08Å
253	H	55.8	Low	42.4	Very low	48 Å²	48	86.5 Å²	86.5	22%	0.222	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144	165.7	-78.4	-78.8	0	0	0	110.5	M41 K45 M275 V276	M41-H253 WeakPolarHBondContact CE-CE1 3.32Å; K45-H253 VanDerWaalsContact CE-CE1 3.5Å; K45-H253 WeakPolarHBondContact CE-CE1 3.29Å; K45-H253 WeakPolarHBondContact CE-NE2 3.29Å; K45-H253 PolarHBondContact NZ-NE2 2.91Å; H253-M275 CarbonylContact O-C 3.49Å; H253-M275 WeakPolarHBondContact O-CA 3.4Å; H253-V276 HydrophobicContact CB-CB 4.17Å; H253-V276 HydrophobicContact CB-CG2 4.34Å; H253-V276 PolarHBondContact N-O 3.33Å; H253-V276 VanDerWaalsContact N-O 3.14Å; H253-V276 PolarHBondContact O-N 3.14Å
254	V	55.5	Low	43	Very low	57 Å²	57	83 Å²	83	35%	0.345	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.3	-179.2	-176.4	0	0	0	0	108.1	R273 M275 T332	V254-R273 HydrophobicContact CG1-CG 4.29Å; V254-M275 HydrophobicContact CG2-CG 4.27Å; V254-T332 HydrophobicContact CG1-CG2 3.73Å; V254-T332 HydrophobicContact CG2-CG2 4.11Å
255	S	53.8	Low	43.5	Very low	45 Å²	45	75.9 Å²	75.9	32%	0.315	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-77.1	165.4	176.9	63.1	0	0	0	0	112.3	R273 E274	S255-R273 PolarHBondContact O-NE 3.48Å; S255-E274 PolarHBondContact N-O 2.91Å; S255-E274 WeakPolarHBondContact OG-CA 3.5Å; S255-E274 WeakPolarHBondContact OG-CB 3.39Å; S255-E274 PolarHBondContact OG-N 3.48Å; S255-E274 PolarHBondContact OG-O 3.14Å
256	L	43.3	Very low	44.4	Very low	151 Å²	151	77.4 Å²	77.4	79%	0.791	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-61.5	150.4	166	-69	170.9	0	0	0	109.8	E258	L256-E258 PolarHBondContact O-N 2.93Å
257	A	46.6	Very low	45.1	Very low	27 Å²	27	73.8 Å²	73.8	22%	0.223	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-80.7	117.1	175.3	0	0	0	0	0	109.3	K272 R273 K325	A257-K272 CarbonylContact C-O 3.48Å; A257-K272 VanDerWaalsContact CA-O 3.31Å; A257-K272 WeakPolarHBondContact CA-O 3.45Å; A257-R273 HydrophobicContact CB-CB 4.48Å; A257-K325 HydrophobicContact CB-CD 4.38Å; A257-K325 HydrophobicContact CB-CG 4.26Å
258	E	48.3	Very low	46.1	Very low	106 Å²	106	73 Å²	73	50%	0.495	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	141.3	176.3	-67.6	168.6	173.3	0	0	109.2	L256 A271 K272	L256-E258 PolarHBondContact O-N 2.93Å; E258-A271 CarbonylContact O-C 3.6Å; E258-A271 WeakPolarHBondContact O-CA 3.47Å; E258-K272 PolarHBondContact N-O 3.35Å; E258-K272 PolarHBondContact O-N 3.41Å
259	C	40.5	Very low	47.4	Very low	93 Å²	93	70.6 Å²	70.6	63%	0.628	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	116	172.7	-171	0	0	0	0	108.8
260	M	49.3	Very low	49.2	Very low	28 Å²	28	69.8 Å²	69.8	14%	0.138	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.6	176.8	-56.1	-142.8	-59.8	0	0	109.7	F270 K272 L556 N559	M260-F270 HydrophobicContact CB-CD1 4.32Å; M260-F270 HydrophobicContact CB-CD2 4.3Å; M260-F270 HydrophobicContact CB-CE1 3.9Å; M260-F270 HydrophobicContact CB-CE2 3.89Å; M260-F270 HydrophobicContact CB-CZ 3.69Å; M260-F270 HydrophobicContact CE-CE2 3.49Å; M260-F270 VanDerWaalsContact CE-CE2 3.49Å; M260-F270 HydrophobicContact CE-CZ 3.62Å; M260-F270 HydrophobicContact CG-CE2 4.49Å; M260-F270 PolarHBondContact N-O 3.39Å; M260-F270 WeakPolarHBondContact O-CD1 3.47Å; M260-F270 PolarHBondContact O-N 3.07Å; M260-K272 HydrophobicContact CE-CB 4.11Å; M260-K272 HydrophobicContact CE-CD 3.76Å; M260-K272 HydrophobicContact CE-CG 4.37Å; M260-K272 HydrophobicContact CG-CB 4.05Å; M260-K272 HydrophobicContact SD-CB 4.3Å; M260-K272 HydrophobicContact SD-CD 3.87Å; M260-L556 HydrophobicContact CE-CD2 3.89Å; M260-N559 HydrophobicContact CE-CB 4.5Å
261	S	41.1	Very low	50.7	Low	74 Å²	74	67.2 Å²	67.2	52%	0.517	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.6	178	45	0	0	0	0	110	T263	S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.9Å; S261-T263 VanDerWaalsContact O-N 3.08Å
262	A	41.8	Very low	52.2	Low	5 Å²	5	63.5 Å²	63.5	4%	0.041	35%	0.351	C	S	.	.			trans	-79.8	80.8	170.2	0	0	0	0	0	109.5	E264 G267 E268 F270 L555	A262-E264 PolarHBondContact O-N 3.28Å; A262-G267 VanDerWaalsContact O-CA 3.3Å; A262-G267 WeakPolarHBondContact O-CA 3.5Å; A262-G267 PolarHBondContact O-N 3.31Å; A262-E268 WeakPolarHBondContact CB-O 3.37Å; A262-E268 PolarHBondContact N-O 3.44Å; A262-E268 VanDerWaalsContact N-O 3.16Å; A262-F270 HydrophobicContact CB-CD1 4.4Å; A262-F270 HydrophobicContact CB-CE1 4.07Å; A262-L555 HydrophobicContact CB-CD1 3.72Å
263	T	40.9	Very low	53.5	Low	123 Å²	123	64.3 Å²	64.3	76%	0.755	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	180	44.4	0	0	0	0	113.5	S261	S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.9Å; S261-T263 VanDerWaalsContact O-N 3.08Å
264	E	39.7	Very low	54.7	Low	121 Å²	121	64.3 Å²	64.3	57%	0.565	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.6	-172.9	-64.2	-179.3	152.5	0	0	114.7	A262 K558	A262-E264 PolarHBondContact O-N 3.28Å; E264-K558 IonicContact OE1-NZ 3.93Å; E264-K558 PolarHBondContact OE1-NZ 2.96Å; E264-K558 IonicContact OE2-NZ 3.9Å; E264-K558 PolarHBondContact OE2-NZ 3.3Å
265	I	37.8	Very low	55.9	Low	59 Å²	59	61.7 Å²	61.7	30%	0.303	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	120.4	-176	-33.7	179.3	0	0	0	110.4	G267 N551	I265-G267 PolarHBondContact O-N 3.46Å; I265-N551 HydrophobicContact CD1-CB 4.22Å
266	F	47	Very low	57.1	Low	154 Å²	154	61 Å²	61	68%	0.675	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-14.7	-178.9	-59.7	-69.7	0	0	0	118.1	E268	F266-E268 HydrophobicContact CB-CG 4.03Å; F266-E268 PolarHBondContact O-N 3.44Å
267	G	44.7	Very low	58.9	Low	52 Å²	52	53.8 Å²	53.8	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	15.1	-176.2	0	0	0	0	0	113.6	A262 I265 R269	A262-G267 VanDerWaalsContact O-CA 3.3Å; A262-G267 WeakPolarHBondContact O-CA 3.5Å; A262-G267 PolarHBondContact O-N 3.31Å; I265-G267 PolarHBondContact O-N 3.46Å; G267-R269 PolarHBondContact O-N 2.89Å
268	E	56.4	Low	60.2	Low	50 Å²	50	53.6 Å²	53.6	23%	0.234	29%	0.29	C	S	.	.			trans	-67.3	128.3	178.6	-65.9	-147.1	123.2	0	0	110.6	A262 F266 R323	A262-E268 WeakPolarHBondContact CB-O 3.37Å; A262-E268 PolarHBondContact N-O 3.44Å; A262-E268 VanDerWaalsContact N-O 3.16Å; F266-E268 HydrophobicContact CB-CG 4.03Å; F266-E268 PolarHBondContact O-N 3.44Å; E268-R323 IonicContact OE1-CZ 3.16Å; E268-R323 IonicContact OE1-NE 3.26Å; E268-R323 PolarHBondContact OE1-NE 3.05Å; E268-R323 IonicContact OE1-NH2 3.3Å; E268-R323 PolarHBondContact OE1-NH2 3.49Å; E268-R323 IonicContact OE2-NE 3.47Å
269	R	64.1	Low	61.8	Low	115 Å²	115	51.9 Å²	51.9	43%	0.434	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.6	165.6	-63.9	-172.6	-176.6	-159.7	0.2	108.5	G267	G267-R269 PolarHBondContact O-N 2.89Å
270	F	72.8	Confident	63.6	Low	3 Å²	3	53.6 Å²	53.6	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156	172.6	61.8	-77.4	0	0	0	110.3	M260 A262 A321 I552 L556	M260-F270 HydrophobicContact CB-CD1 4.32Å; M260-F270 HydrophobicContact CB-CD2 4.3Å; M260-F270 HydrophobicContact CB-CE1 3.9Å; M260-F270 HydrophobicContact CB-CE2 3.89Å; M260-F270 HydrophobicContact CB-CZ 3.69Å; M260-F270 HydrophobicContact CE-CE2 3.49Å; M260-F270 VanDerWaalsContact CE-CE2 3.49Å; M260-F270 HydrophobicContact CE-CZ 3.62Å; M260-F270 HydrophobicContact CG-CE2 4.49Å; M260-F270 PolarHBondContact N-O 3.39Å; M260-F270 WeakPolarHBondContact O-CD1 3.47Å; M260-F270 PolarHBondContact O-N 3.07Å; A262-F270 HydrophobicContact CB-CD1 4.4Å; A262-F270 HydrophobicContact CB-CE1 4.07Å; F270-A321 HydrophobicContact CD2-CB 4.28Å; F270-I552 HydrophobicContact CD1-CD1 4.47Å; F270-I552 HydrophobicContact CD1-CG2 4.43Å; F270-I552 HydrophobicContact CD2-CG2 3.89Å; F270-I552 HydrophobicContact CE1-CG2 4.45Å; F270-I552 HydrophobicContact CE2-CG2 3.89Å; F270-I552 HydrophobicContact CG-CG2 4.15Å; F270-I552 HydrophobicContact CZ-CG2 4.17Å; F270-L556 HydrophobicContact CE2-CD2 3.99Å; F270-L556 HydrophobicContact CE2-CG 4.28Å
271	A	78.1	Confident	65.1	Low	8 Å²	8	53.4 Å²	53.4	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.6	170.6	0	0	0	0	0	109	E258 A321 G322 K325 V328	E258-A271 CarbonylContact O-C 3.6Å; E258-A271 WeakPolarHBondContact O-CA 3.47Å; A271-A321 CarbonylContact O-C 3.6Å; A271-A321 VanDerWaalsContact O-CA 3.25Å; A271-A321 WeakPolarHBondContact O-CA 3.42Å; A271-G322 PolarHBondContact N-O 3.32Å; A271-G322 PolarHBondContact O-N 3.38Å; A271-K325 HydrophobicContact CB-CB 4.09Å; A271-V328 HydrophobicContact CB-CG2 3.98Å
272	K	82.8	Confident	67	Low	6 Å²	6	50.9 Å²	50.9	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.3	164.2	-179.6	-170.3	169.4	-165.4	0	108.1	A257 E258 M260 E274 I320 D560	A257-K272 CarbonylContact C-O 3.48Å; A257-K272 VanDerWaalsContact CA-O 3.31Å; A257-K272 WeakPolarHBondContact CA-O 3.45Å; E258-K272 PolarHBondContact N-O 3.35Å; E258-K272 PolarHBondContact O-N 3.41Å; M260-K272 HydrophobicContact CE-CB 4.11Å; M260-K272 HydrophobicContact CE-CD 3.76Å; M260-K272 HydrophobicContact CE-CG 4.37Å; M260-K272 HydrophobicContact CG-CB 4.05Å; M260-K272 HydrophobicContact SD-CB 4.3Å; M260-K272 HydrophobicContact SD-CD 3.87Å; K272-E274 VanDerWaalsContact CE-OE1 3.23Å; K272-E274 WeakPolarHBondContact CE-OE1 3.45Å; K272-E274 IonicContact NZ-OE1 3.78Å; K272-E274 PolarHBondContact NZ-OE1 2.89Å; K272-I320 CarbonylContact C-O 3.51Å; K272-I320 WeakPolarHBondContact CA-O 3.33Å; K272-D560 VanDerWaalsContact CE-OD2 3.24Å; K272-D560 WeakPolarHBondContact CE-OD2 3.44Å; K272-D560 IonicContact NZ-OD1 2.79Å; K272-D560 PolarHBondContact NZ-OD1 2.82Å; K272-D560 IonicContact NZ-OD2 3.69Å; K272-D560 PolarHBondContact NZ-OD2 3.49Å
273	R	82.3	Confident	68.9	Low	26 Å²	26	54.2 Å²	54.2	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.6	163.4	170.7	179.5	-83.8	149.2	9.7	109.2	V254 S255 A257 I320 V328 D329 T332	V254-R273 HydrophobicContact CG1-CG 4.29Å; S255-R273 PolarHBondContact O-NE 3.48Å; A257-R273 HydrophobicContact CB-CB 4.48Å; R273-I320 PolarHBondContact N-O 3.41Å; R273-I320 PolarHBondContact O-N 2.95Å; R273-V328 HydrophobicContact CB-CG1 3.56Å; R273-D329 IonicContact CZ-OD1 2.73Å; R273-D329 IonicContact NH1-OD1 2.87Å; R273-D329 PolarHBondContact NH1-OD1 2.83Å; R273-D329 IonicContact NH2-OD1 2.73Å; R273-D329 PolarHBondContact NH2-OD1 3.49Å; R273-T332 WeakPolarHBondContact CD-OG1 3.45Å; R273-T332 PolarHBondContact NH1-OG1 3.38Å; R273-T332 VanDerWaalsContact NH1-OG1 3.13Å
274	E	81	Confident	70.8	Confident	48 Å²	48	49.2 Å²	49.2	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142.5	168.6	-56.4	-165.6	177.7	0	0	112.1	S255 K272 L318	S255-E274 PolarHBondContact N-O 2.91Å; S255-E274 WeakPolarHBondContact OG-CA 3.5Å; S255-E274 WeakPolarHBondContact OG-CB 3.39Å; S255-E274 PolarHBondContact OG-N 3.48Å; S255-E274 PolarHBondContact OG-O 3.14Å; K272-E274 VanDerWaalsContact CE-OE1 3.23Å; K272-E274 WeakPolarHBondContact CE-OE1 3.45Å; K272-E274 IonicContact NZ-OE1 3.78Å; K272-E274 PolarHBondContact NZ-OE1 2.89Å; E274-L318 CarbonylContact C-O 3.27Å; E274-L318 VanDerWaalsContact CA-O 3.24Å; E274-L318 WeakPolarHBondContact CA-O 3.36Å
275	M	81.4	Confident	72.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.6	174.1	-177.4	171.7	-176.7	0	0	109	F252 H253 V254 I277 L318 I320 T332 I335 L339	F252-M275 HydrophobicContact CB-CE 3.74Å; F252-M275 HydrophobicContact CD1-CE 4.29Å; F252-M275 HydrophobicContact CD2-CE 4.22Å; F252-M275 HydrophobicContact CG-CE 3.79Å; H253-M275 CarbonylContact O-C 3.49Å; H253-M275 WeakPolarHBondContact O-CA 3.4Å; V254-M275 HydrophobicContact CG2-CG 4.27Å; M275-I277 HydrophobicContact CE-CG2 3.99Å; M275-I277 HydrophobicContact CG-CG2 4.02Å; M275-I277 HydrophobicContact SD-CG2 4.41Å; M275-L318 PolarHBondContact N-O 3.47Å; M275-L318 PolarHBondContact O-N 3.4Å; M275-I320 HydrophobicContact CB-CD1 4.5Å; M275-T332 HydrophobicContact SD-CG2 4.2Å; M275-I335 HydrophobicContact CE-CG2 3.81Å; M275-I335 HydrophobicContact SD-CB 4.29Å; M275-I335 HydrophobicContact SD-CG2 3.69Å; M275-L339 HydrophobicContact CE-CD1 4.43Å
276	V	79.4	Confident	74.9	Confident	30 Å²	30	41.7 Å²	41.7	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.7	-179	-167.4	0	0	0	0	109.1	F252 H253 W315 Q316 R317	F252-V276 WeakPolarHBondContact CA-O 3.33Å; H253-V276 HydrophobicContact CB-CB 4.17Å; H253-V276 HydrophobicContact CB-CG2 4.34Å; H253-V276 PolarHBondContact N-O 3.33Å; H253-V276 VanDerWaalsContact N-O 3.14Å; H253-V276 PolarHBondContact O-N 3.14Å; V276-W315 HydrophobicContact CG1-CB 3.81Å; V276-W315 HydrophobicContact CG1-CE3 4.12Å; V276-W315 HydrophobicContact CG1-CG 4.46Å; V276-Q316 WeakPolarHBondContact CA-O 3.15Å; V276-R317 HydrophobicContact CG1-CG 4.32Å; V276-R317 HydrophobicContact CG2-CG 4.19Å
277	I	80.1	Confident	76.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.2	-175.3	74.9	177.8	0	0	0	111.9	F252 M275 K279 I285 W315 Q316 L318 L339	F252-I277 HydrophobicContact CD1-CB 3.81Å; F252-I277 HydrophobicContact CD1-CG2 3.65Å; F252-I277 HydrophobicContact CE1-CB 4.23Å; F252-I277 HydrophobicContact CE1-CG2 4.32Å; F252-I277 HydrophobicContact CG-CG2 4.42Å; M275-I277 HydrophobicContact CE-CG2 3.99Å; M275-I277 HydrophobicContact CG-CG2 4.02Å; M275-I277 HydrophobicContact SD-CG2 4.41Å; I277-K279 PolarHBondContact O-N 3.5Å; I277-I285 HydrophobicContact CD1-CG1 4.19Å; I277-W315 CarbonylContact O-C 3.59Å; I277-Q316 HydrophobicContact CG1-CB 4.01Å; I277-Q316 HydrophobicContact CG1-CG 4.35Å; I277-Q316 PolarHBondContact N-O 3Å; I277-Q316 PolarHBondContact O-N 2.86Å; I277-L318 HydrophobicContact CB-CD1 4.46Å; I277-L318 HydrophobicContact CD1-CD1 3.65Å; I277-L318 HydrophobicContact CG1-CD1 3.68Å; I277-L318 HydrophobicContact CG2-CD1 4.08Å; I277-L339 HydrophobicContact CB-CD1 4.4Å; I277-L339 HydrophobicContact CD1-CD1 4.42Å; I277-L339 HydrophobicContact CG2-CD1 3.93Å
278	P	75.8	Confident	76.9	Confident	22 Å²	22	38.2 Å²	38.2	14%	0.143	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.4	173	-26.9	37.4	0	0	0	112.1	M251 N280 L281 S282 W315	M251-P278 WeakPolarHBondContact O-CD 3.32Å; P278-N280 WeakPolarHBondContact CB-OD1 3.4Å; P278-N280 PolarHBondContact O-N 3.37Å; P278-L281 HydrophobicContact CB-CG 4.43Å; P278-L281 HydrophobicContact CG-CD1 4.4Å; P278-L281 PolarHBondContact O-N 3.1Å; P278-S282 PolarHBondContact O-N 3.25Å; P278-W315 HydrophobicContact CG-CE3 4.27Å; P278-W315 HydrophobicContact CG-CH2 4.17Å; P278-W315 HydrophobicContact CG-CZ3 3.72Å
279	K	80.2	Confident	77.4	Confident	71 Å²	71	41 Å²	41	31%	0.309	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.2	-32.4	-176.5	-168.7	173.2	-167.9	172	0	112.4	I277 L281 S282 T309 E310 E313 L314	I277-K279 PolarHBondContact O-N 3.5Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 PolarHBondContact O-N 3.26Å; K279-S282 WeakPolarHBondContact O-CB 3.44Å; K279-S282 PolarHBondContact O-N 3.16Å; K279-S282 PolarHBondContact O-OG 2.9Å; K279-T309 HydrophobicContact CD-CG2 3.71Å; K279-T309 HydrophobicContact CG-CG2 4.47Å; K279-T309 PolarHBondContact NZ-O 3.48Å; K279-E310 PolarHBondContact NZ-O 3.19Å; K279-E313 WeakPolarHBondContact CD-O 3.42Å; K279-E313 PolarHBondContact NZ-O 3.34Å; K279-L314 WeakPolarHBondContact CB-O 3.17Å; K279-L314 PolarHBondContact N-O 2.98Å
280	N	78.7	Confident	77.8	Confident	128 Å²	128	37.4 Å²	37.4	68%	0.684	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.4	-24.5	174.5	64.1	-7.6	0	0	0	114.2	P278	P278-N280 WeakPolarHBondContact CB-OD1 3.4Å; P278-N280 PolarHBondContact O-N 3.37Å
281	L	80.8	Confident	78.2	Confident	25 Å²	25	40.2 Å²	40.2	13%	0.131	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-96.1	-8.8	175.7	-59.5	-179.7	0	0	0	113.5	M251 F252 P278 K279 S283 L284 L339	M251-L281 HydrophobicContact CE-CD1 4.05Å; F252-L281 HydrophobicContact CE1-CD1 4.29Å; F252-L281 HydrophobicContact CZ-CD1 4.47Å; P278-L281 HydrophobicContact CB-CG 4.43Å; P278-L281 HydrophobicContact CG-CD1 4.4Å; P278-L281 PolarHBondContact O-N 3.1Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 PolarHBondContact O-N 3.26Å; L281-S283 PolarHBondContact O-N 3.19Å; L281-S283 VanDerWaalsContact O-N 3.16Å; L281-L284 HydrophobicContact CB-CD1 4.42Å; L281-L284 HydrophobicContact CD2-CD1 4.01Å; L281-L284 WeakPolarHBondContact O-CB 3.49Å; L281-L284 PolarHBondContact O-N 3.48Å; L281-L339 HydrophobicContact CB-CD2 3.71Å; L281-L339 HydrophobicContact CD1-CD2 4.4Å
282	S	81.8	Confident	78.6	Confident	21 Å²	21	40.3 Å²	40.3	15%	0.147	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.3	-180	67.2	0	0	0	0	113.7	P278 K279 L284 I285 F286	P278-S282 PolarHBondContact O-N 3.25Å; K279-S282 WeakPolarHBondContact O-CB 3.44Å; K279-S282 PolarHBondContact O-N 3.16Å; K279-S282 PolarHBondContact O-OG 2.9Å; S282-L284 PolarHBondContact O-N 2.82Å; S282-L284 VanDerWaalsContact O-N 3.16Å; S282-I285 PolarHBondContact O-N 3.48Å; S282-F286 WeakPolarHBondContact O-CD2 3.49Å; S282-F286 PolarHBondContact O-N 3.32Å
283	S	80.3	Confident	78.8	Confident	75 Å²	75	40 Å²	40	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-19.7	175.9	60.7	0	0	0	0	114.3	L281 G287	L281-S283 PolarHBondContact O-N 3.19Å; L281-S283 VanDerWaalsContact O-N 3.16Å; S283-G287 VanDerWaalsContact O-CA 3.25Å; S283-G287 WeakPolarHBondContact O-CA 3.43Å; S283-G287 PolarHBondContact O-N 2.9Å; S283-G287 VanDerWaalsContact O-N 3.07Å
284	L	82.2	Confident	78.9	Confident	18 Å²	18	38.8 Å²	38.8	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-78.4	-19.9	173.1	-62.9	172.4	0	0	0	113.3	L281 S282 L339 Q342 K344	L281-L284 HydrophobicContact CB-CD1 4.42Å; L281-L284 HydrophobicContact CD2-CD1 4.01Å; L281-L284 WeakPolarHBondContact O-CB 3.49Å; L281-L284 PolarHBondContact O-N 3.48Å; S282-L284 PolarHBondContact O-N 2.82Å; S282-L284 VanDerWaalsContact O-N 3.16Å; L284-L339 HydrophobicContact CB-CD2 4.3Å; L284-L339 HydrophobicContact CD1-CD2 4.29Å; L284-Q342 HydrophobicContact CD1-CB 4.17Å; L284-Q342 HydrophobicContact CD1-CG 4.24Å; L284-K344 HydrophobicContact CD2-CG 3.79Å
285	I	82.8	Confident	79.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-102.6	-40.1	-177.4	-59.1	-56.5	0	0	0	111.5	I277 S282 V292 V293 L318 I335 L338 L339	I277-I285 HydrophobicContact CD1-CG1 4.19Å; S282-I285 PolarHBondContact O-N 3.48Å; I285-V292 CarbonylContact O-C 3.52Å; I285-V292 WeakPolarHBondContact O-CB 3.49Å; I285-V292 WeakPolarHBondContact O-CG1 3.49Å; I285-V293 WeakPolarHBondContact O-CA 3.44Å; I285-V293 PolarHBondContact O-N 3.17Å; I285-L318 HydrophobicContact CG2-CD2 4.05Å; I285-I335 HydrophobicContact CD1-CB 4.44Å; I285-I335 HydrophobicContact CD1-CG1 4.37Å; I285-I335 HydrophobicContact CD1-CG2 3.94Å; I285-I335 HydrophobicContact CG1-CG2 4.3Å; I285-L338 HydrophobicContact CD1-CB 4.02Å; I285-L338 HydrophobicContact CD1-CD1 3.78Å; I285-L339 HydrophobicContact CD1-CD1 4.34Å; I285-L339 HydrophobicContact CD1-CD2 4.12Å; I285-L339 HydrophobicContact CD1-CG 4.01Å; I285-L339 HydrophobicContact CG1-CD1 4.3Å; I285-L339 HydrophobicContact CG1-CD2 3.9Å; I285-L339 HydrophobicContact CG1-CG 4.22Å
286	F	80.5	Confident	79.5	Confident	22 Å²	22	36.4 Å²	36.4	10%	0.096	22%	0.219	C	C	.	.	H	α-helix	trans	-83	-41.5	174.9	-54.8	-56.5	0	0	0	111.6	S282 E290 V292 V293 F306 Q316 L318	S282-F286 WeakPolarHBondContact O-CD2 3.49Å; S282-F286 PolarHBondContact O-N 3.32Å; F286-E290 CarbonylContact O-C 3.46Å; F286-E290 WeakPolarHBondContact O-CA 3.37Å; F286-V292 PolarHBondContact O-N 3.24Å; F286-V293 HydrophobicContact CD1-CB 4.06Å; F286-V293 HydrophobicContact CD1-CG1 4.14Å; F286-V293 HydrophobicContact CD1-CG2 4.41Å; F286-F306 HydrophobicContact CD1-CD1 4.16Å; F286-F306 HydrophobicContact CD1-CE1 4.2Å; F286-F306 HydrophobicContact CE1-CB 4.29Å; F286-F306 AromaticContact CE1-CD1 3.38Å; F286-F306 HydrophobicContact CE1-CD1 3.38Å; F286-F306 AromaticContact CE1-CE1 3.88Å; F286-F306 HydrophobicContact CE1-CE1 3.88Å; F286-F306 HydrophobicContact CE1-CG 4.02Å; F286-F306 HydrophobicContact CZ-CB 3.81Å; F286-F306 AromaticContact CZ-CD1 3.62Å; F286-F306 HydrophobicContact CZ-CD1 3.62Å; F286-F306 HydrophobicContact CZ-CE1 4.29Å; F286-F306 AromaticContact CZ-CG 3.75Å; F286-F306 HydrophobicContact CZ-CG 3.75Å; F286-Q316 HydrophobicContact CE2-CG 4.04Å; F286-Q316 HydrophobicContact CZ-CG 4.42Å; F286-L318 HydrophobicContact CE1-CD2 3.98Å; F286-L318 HydrophobicContact CZ-CD2 3.73Å; F286-L318 HydrophobicContact CZ-CG 4.09Å
287	G	71.3	Confident	79.9	Confident	27 Å²	27	35 Å²	35	28%	0.278	21%	0.21	S	C	.	.			trans	70.3	-169.3	-173.8	0	0	0	0	0	113.1	S283	S283-G287 VanDerWaalsContact O-CA 3.25Å; S283-G287 WeakPolarHBondContact O-CA 3.43Å; S283-G287 PolarHBondContact O-N 2.9Å; S283-G287 VanDerWaalsContact O-N 3.07Å
288	C	62.5	Low	80.1	Confident	106 Å²	106	35 Å²	35	72%	0.716	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-75.2	136.2	166.9	-61.3	0	0	0	0	109	E290	C288-E290 PolarHBondContact O-N 3.34Å
289	S	66	Low	80.6	Confident	108 Å²	108	34 Å²	34	76%	0.755	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	52.8	25.9	175.8	-53.7	0	0	0	0	115.4	E291	S289-E291 PolarHBondContact O-N 2.93Å
290	E	73.2	Confident	80.9	Confident	39 Å²	39	30.8 Å²	30.8	18%	0.182	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	65.8	12.6	169.4	-54.7	175	139.7	0	0	114.5	F286 C288 V292 V293 A294 P566	F286-E290 CarbonylContact O-C 3.46Å; F286-E290 WeakPolarHBondContact O-CA 3.37Å; C288-E290 PolarHBondContact O-N 3.34Å; E290-V292 PolarHBondContact O-N 3.03Å; E290-V293 HydrophobicContact CB-CG1 3.84Å; E290-V293 WeakPolarHBondContact O-CG1 3.39Å; E290-V293 PolarHBondContact O-N 2.86Å; E290-A294 PolarHBondContact O-N 3Å; E290-P566 HydrophobicContact CB-CB 4.05Å; E290-P566 VanDerWaalsContact CD-C 3.42Å; E290-P566 VanDerWaalsContact CD-CA 3.47Å; E290-P566 HydrophobicContact CG-CB 4.07Å; E290-P566 WeakPolarHBondContact OE1-CA 3.36Å; E290-P566 WeakPolarHBondContact OE1-CB 3.25Å; E290-P566 WeakPolarHBondContact OE2-CA 3.35Å; E290-P566 WeakPolarHBondContact OE2-CB 3.47Å; E290-P566 VanDerWaalsContact OE2-O 3.14Å
291	E	82.1	Confident	81.1	Confident	63 Å²	63	25 Å²	25	29%	0.294	16%	0.159	S	C	.	.	H	α-helix	trans	-61.9	-32.6	178.9	-59.5	178.5	151.7	0	0	111.8	S289 M295 F347	S289-E291 PolarHBondContact O-N 2.93Å; E291-M295 VanDerWaalsContact O-CG 3.28Å; E291-M295 WeakPolarHBondContact O-CG 3.33Å; E291-M295 PolarHBondContact O-N 3.11Å; E291-F347 HydrophobicContact CB-CB 3.9Å; E291-F347 HydrophobicContact CB-CD2 4.28Å; E291-F347 HydrophobicContact CB-CG 4.02Å; E291-F347 HydrophobicContact CG-CB 4.47Å; E291-F347 HydrophobicContact CG-CD1 4.47Å; E291-F347 HydrophobicContact CG-CG 4.3Å; E291-F347 VanDerWaalsContact OE2-CB 3.22Å; E291-F347 WeakPolarHBondContact OE2-CB 3.46Å; E291-F347 WeakPolarHBondContact OE2-CD1 3.28Å
292	V	85	Confident	81.3	Confident	10 Å²	10	23.8 Å²	23.8	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-75.3	-41.7	-178.5	-176.8	0	0	0	0	111.7	I285 F286 E290 A294 M295 V296 M345	I285-V292 CarbonylContact O-C 3.52Å; I285-V292 WeakPolarHBondContact O-CB 3.49Å; I285-V292 WeakPolarHBondContact O-CG1 3.49Å; F286-V292 PolarHBondContact O-N 3.24Å; E290-V292 PolarHBondContact O-N 3.03Å; V292-A294 VanDerWaalsContact C-N 3.35Å; V292-A294 PolarHBondContact O-N 3.06Å; V292-M295 HydrophobicContact CB-CE 4.44Å; V292-M295 HydrophobicContact CG2-CE 4.03Å; V292-M295 WeakPolarHBondContact O-CB 3.45Å; V292-M295 PolarHBondContact O-N 3.01Å; V292-M295 VanDerWaalsContact O-N 3.15Å; V292-V296 WeakPolarHBondContact O-CG2 3.43Å; V292-V296 PolarHBondContact O-N 2.89Å; V292-M345 HydrophobicContact CG1-CB 4.01Å; V292-M345 HydrophobicContact CG1-SD 4.42Å; V292-M345 HydrophobicContact CG2-CB 4.28Å; V292-M345 VanDerWaalsContact CG2-O 3.31Å; V292-M345 WeakPolarHBondContact CG2-O 3.47Å
293	V	87.1	Confident	81.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.1	58	0	0	0	0	110.3	I285 F286 E290 M295 V296 E297 I304 P566	I285-V293 WeakPolarHBondContact O-CA 3.44Å; I285-V293 PolarHBondContact O-N 3.17Å; F286-V293 HydrophobicContact CD1-CB 4.06Å; F286-V293 HydrophobicContact CD1-CG1 4.14Å; F286-V293 HydrophobicContact CD1-CG2 4.41Å; E290-V293 HydrophobicContact CB-CG1 3.84Å; E290-V293 WeakPolarHBondContact O-CG1 3.39Å; E290-V293 PolarHBondContact O-N 2.86Å; V293-M295 PolarHBondContact O-N 3.33Å; V293-V296 WeakPolarHBondContact O-CB 3.48Å; V293-V296 PolarHBondContact O-N 3.09Å; V293-V296 VanDerWaalsContact O-N 3.1Å; V293-E297 WeakPolarHBondContact O-CG 3.21Å; V293-E297 PolarHBondContact O-N 3.24Å; V293-I304 HydrophobicContact CG2-CB 3.62Å; V293-I304 HydrophobicContact CG2-CD1 4.06Å; V293-I304 HydrophobicContact CG2-CG1 4.4Å; V293-I304 HydrophobicContact CG2-CG2 3.71Å; V293-P566 HydrophobicContact CG1-CB 4.47Å; V293-P566 HydrophobicContact CG1-CG 4.09Å
294	A	83.9	Confident	81.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-41.2	171.3	0	0	0	0	0	112.8	E290 V292 V296 E297 I298 F519 A523	E290-A294 PolarHBondContact O-N 3Å; V292-A294 VanDerWaalsContact C-N 3.35Å; V292-A294 PolarHBondContact O-N 3.06Å; A294-V296 VanDerWaalsContact C-N 3.33Å; A294-V296 PolarHBondContact O-N 3.32Å; A294-E297 PolarHBondContact O-N 3.2Å; A294-I298 WeakPolarHBondContact O-CD1 3.47Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.31Å; A294-I298 PolarHBondContact O-N 3.39Å; A294-F519 HydrophobicContact CB-CD1 3.6Å; A294-F519 HydrophobicContact CB-CE1 3.96Å; A294-A523 HydrophobicContact CB-CB 3.89Å
295	M	86.5	Confident	82	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-37.2	173.2	-76.4	-168.8	-73.1	0	0	112.6	E291 V292 V293 L299 M345 F347 L350 L503 L507 F519	E291-M295 VanDerWaalsContact O-CG 3.28Å; E291-M295 WeakPolarHBondContact O-CG 3.33Å; E291-M295 PolarHBondContact O-N 3.11Å; V292-M295 HydrophobicContact CB-CE 4.44Å; V292-M295 HydrophobicContact CG2-CE 4.03Å; V292-M295 WeakPolarHBondContact O-CB 3.45Å; V292-M295 PolarHBondContact O-N 3.01Å; V292-M295 VanDerWaalsContact O-N 3.15Å; V293-M295 PolarHBondContact O-N 3.33Å; M295-L299 WeakPolarHBondContact O-CB 3.33Å; M295-L299 VanDerWaalsContact O-CG 3.32Å; M295-L299 WeakPolarHBondContact O-CG 3.32Å; M295-L299 PolarHBondContact O-N 3.35Å; M295-M345 HydrophobicContact CB-CE 3.91Å; M295-M345 HydrophobicContact CE-CB 3.83Å; M295-M345 HydrophobicContact CE-CE 4.27Å; M295-M345 HydrophobicContact SD-CE 3.98Å; M295-F347 HydrophobicContact CE-CB 3.86Å; M295-F347 HydrophobicContact CE-CD2 4.36Å; M295-F347 HydrophobicContact CG-CD2 4.42Å; M295-F347 HydrophobicContact SD-CB 4.45Å; M295-F347 HydrophobicContact SD-CD2 4.05Å; M295-L350 HydrophobicContact CE-CD1 4.39Å; M295-L350 HydrophobicContact SD-CD1 3.83Å; M295-L503 HydrophobicContact CB-CD1 4.07Å; M295-L503 HydrophobicContact CG-CD1 3.81Å; M295-L503 HydrophobicContact SD-CD1 4.4Å; M295-L507 HydrophobicContact CG-CD2 4.47Å; M295-L507 HydrophobicContact SD-CD2 4.28Å; M295-F519 HydrophobicContact CB-CE1 4.47Å; M295-F519 HydrophobicContact CG-CD1 4.5Å; M295-F519 HydrophobicContact CG-CE1 3.56Å; M295-F519 HydrophobicContact CG-CZ 4.15Å
296	V	88.8	Confident	82	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-46.2	174.8	176.1	0	0	0	0	110.8	V292 V293 A294 I298 L299 S300 I304 T331 F334 I335 L338	V292-V296 WeakPolarHBondContact O-CG2 3.43Å; V292-V296 PolarHBondContact O-N 2.89Å; V293-V296 WeakPolarHBondContact O-CB 3.48Å; V293-V296 PolarHBondContact O-N 3.09Å; V293-V296 VanDerWaalsContact O-N 3.1Å; A294-V296 VanDerWaalsContact C-N 3.33Å; A294-V296 PolarHBondContact O-N 3.32Å; V296-I298 VanDerWaalsContact C-N 3.26Å; V296-I298 PolarHBondContact O-N 2.91Å; V296-L299 PolarHBondContact O-N 2.91Å; V296-S300 WeakPolarHBondContact O-CB 3.37Å; V296-S300 PolarHBondContact O-N 2.91Å; V296-S300 PolarHBondContact O-OG 3.06Å; V296-I304 HydrophobicContact CB-CD1 4.08Å; V296-I304 HydrophobicContact CG1-CD1 3.52Å; V296-T331 HydrophobicContact CG1-CG2 3.97Å; V296-F334 HydrophobicContact CG1-CD1 4.2Å; V296-F334 HydrophobicContact CG2-CD1 4.35Å; V296-F334 HydrophobicContact CG2-CE1 4.07Å; V296-I335 HydrophobicContact CG1-CG1 4.34Å; V296-L338 HydrophobicContact CG2-CD1 3.97Å
297	E	87.6	Confident	81.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-33	176.5	-71.2	-175.9	157.6	0	0	113.1	V293 A294 N301 T302 I304 Q520 R549 R553	V293-E297 WeakPolarHBondContact O-CG 3.21Å; V293-E297 PolarHBondContact O-N 3.24Å; A294-E297 PolarHBondContact O-N 3.2Å; E297-N301 PolarHBondContact O-N 2.7Å; E297-T302 WeakPolarHBondContact CA-O 3.32Å; E297-T302 WeakPolarHBondContact CB-O 3.39Å; E297-T302 VanDerWaalsContact CG-O 3.29Å; E297-T302 WeakPolarHBondContact CG-O 3.41Å; E297-I304 HydrophobicContact CG-CB 4.26Å; E297-I304 HydrophobicContact CG-CD1 4.38Å; E297-I304 HydrophobicContact CG-CG1 4.19Å; E297-I304 PolarHBondContact OE1-N 2.97Å; E297-Q520 PolarHBondContact OE2-NE2 3.48Å; E297-R549 PolarHBondContact O-NH1 3.05Å; E297-R549 VanDerWaalsContact O-NH1 3.16Å; E297-R549 PolarHBondContact O-NH2 2.93Å; E297-R549 VanDerWaalsContact O-NH2 3.11Å; E297-R553 IonicContact OE1-CZ 2.65Å; E297-R553 VanDerWaalsContact OE1-CZ 3.31Å; E297-R553 IonicContact OE1-NH1 3.82Å; E297-R553 PolarHBondContact OE1-NH1 2.98Å; E297-R553 IonicContact OE1-NH2 3.18Å; E297-R553 PolarHBondContact OE1-NH2 3.05Å; E297-R553 IonicContact OE2-CZ 2.69Å; E297-R553 IonicContact OE2-NH1 3.99Å; E297-R553 IonicContact OE2-NH2 2.77Å; E297-R553 PolarHBondContact OE2-NH2 3.43Å
298	I	84.6	Confident	81.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.3	-53	170.9	-68	158.8	0	0	0	110.2	A294 V296 S300 L502 L503 V506 F519 A523 M526	A294-I298 WeakPolarHBondContact O-CD1 3.47Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.31Å; A294-I298 PolarHBondContact O-N 3.39Å; V296-I298 VanDerWaalsContact C-N 3.26Å; V296-I298 PolarHBondContact O-N 2.91Å; I298-S300 VanDerWaalsContact C-N 3.33Å; I298-S300 PolarHBondContact O-N 3.02Å; I298-L502 HydrophobicContact CG2-CD2 4.33Å; I298-L502 HydrophobicContact CG2-CG 4.01Å; I298-L502 WeakPolarHBondContact O-CD2 3.2Å; I298-L503 HydrophobicContact CB-CD1 4.44Å; I298-L503 HydrophobicContact CG2-CB 4.25Å; I298-L503 HydrophobicContact CG2-CD1 4.15Å; I298-V506 HydrophobicContact CD1-CB 4.31Å; I298-V506 HydrophobicContact CD1-CG1 3.7Å; I298-V506 HydrophobicContact CG2-CB 4.34Å; I298-V506 HydrophobicContact CG2-CG2 3.99Å; I298-F519 HydrophobicContact CD1-CE1 3.71Å; I298-F519 HydrophobicContact CD1-CE2 4.29Å; I298-F519 HydrophobicContact CD1-CZ 3.43Å; I298-F519 VanDerWaalsContact CD1-CZ 3.43Å; I298-A523 HydrophobicContact CD1-CB 3.79Å; I298-A523 HydrophobicContact CG1-CB 3.74Å; I298-M526 HydrophobicContact CG1-SD 4.5Å
299	L	87.6	Confident	82.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-40.3	-176.5	-83	173.8	0	0	0	114	M295 V296 F334 M345 I498 N499 F500 L503	M295-L299 WeakPolarHBondContact O-CB 3.33Å; M295-L299 VanDerWaalsContact O-CG 3.32Å; M295-L299 WeakPolarHBondContact O-CG 3.32Å; M295-L299 PolarHBondContact O-N 3.35Å; V296-L299 PolarHBondContact O-N 2.91Å; L299-F334 HydrophobicContact CD1-CE1 3.57Å; L299-F334 HydrophobicContact CD1-CZ 3.57Å; L299-M345 HydrophobicContact CD1-CE 3.8Å; L299-M345 HydrophobicContact CD1-SD 4.44Å; L299-I498 HydrophobicContact CB-CG2 4.23Å; L299-I498 HydrophobicContact CD2-CG2 4.1Å; L299-N499 WeakPolarHBondContact O-CB 3.28Å; L299-N499 PolarHBondContact O-N 3.36Å; L299-F500 HydrophobicContact CD1-CE1 4.26Å; L299-F500 HydrophobicContact CD2-CB 4.37Å; L299-F500 HydrophobicContact CD2-CD1 3.64Å; L299-F500 HydrophobicContact CD2-CD2 4.42Å; L299-F500 HydrophobicContact CD2-CE1 3.92Å; L299-F500 HydrophobicContact CD2-CG 3.9Å; L299-F500 HydrophobicContact CD2-CZ 4.43Å; L299-L503 HydrophobicContact CD1-CD2 3.94Å; L299-L503 HydrophobicContact CD2-CB 3.6Å; L299-L503 HydrophobicContact CD2-CD2 3.78Å; L299-L503 HydrophobicContact CD2-CG 4.27Å; L299-L503 HydrophobicContact CG-CB 4.03Å; L299-L503 HydrophobicContact CG-CD2 3.81Å; L299-L503 HydrophobicContact CG-CG 4.36Å
300	S	86.1	Confident	82.5	Confident	4 Å²	4	17.3 Å²	17.3	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-105.2	-3.7	-168.9	63.1	0	0	0	0	114.5	V296 I298 T302 T331	V296-S300 WeakPolarHBondContact O-CB 3.37Å; V296-S300 PolarHBondContact O-N 2.91Å; V296-S300 PolarHBondContact O-OG 3.06Å; I298-S300 VanDerWaalsContact C-N 3.33Å; I298-S300 PolarHBondContact O-N 3.02Å; S300-T302 VanDerWaalsContact C-N 3.29Å; S300-T302 PolarHBondContact O-N 2.81Å; S300-T302 PolarHBondContact OG-OG1 2.65Å; S300-T331 WeakPolarHBondContact CB-OG1 3.4Å; S300-T331 PolarHBondContact OG-OG1 3.31Å
301	N	82.7	Confident	81.9	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.037	12%	0.123	C	C	.	.	S	Bend	trans	66.2	21.5	179.6	-161	45.9	0	0	0	115.8	E297 D327 N542 W544 R549	E297-N301 PolarHBondContact O-N 2.7Å; N301-D327 PolarHBondContact ND2-OD2 2.83Å; N301-D327 VanDerWaalsContact ND2-OD2 3.08Å; N301-N542 PolarHBondContact ND2-O 2.94Å; N301-W544 WeakPolarHBondContact OD1-CB 3.29Å; N301-W544 PolarHBondContact OD1-N 3.12Å; N301-R549 PolarHBondContact OD1-NH2 2.91Å; N301-R549 VanDerWaalsContact OD1-NH2 3.14Å
302	T	85.3	Confident	81	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.			trans	-113.4	170.2	179.8	56	0	0	0	0	112.8	E297 S300 I320 A321 D327 V328 T331	E297-T302 WeakPolarHBondContact CA-O 3.32Å; E297-T302 WeakPolarHBondContact CB-O 3.39Å; E297-T302 VanDerWaalsContact CG-O 3.29Å; E297-T302 WeakPolarHBondContact CG-O 3.41Å; S300-T302 VanDerWaalsContact C-N 3.29Å; S300-T302 PolarHBondContact O-N 2.81Å; S300-T302 PolarHBondContact OG-OG1 2.65Å; T302-I320 HydrophobicContact CG2-CG2 4.19Å; T302-A321 CarbonylContact C-O 3.48Å; T302-A321 VanDerWaalsContact CA-O 3.26Å; T302-A321 WeakPolarHBondContact CA-O 3.34Å; T302-A321 WeakPolarHBondContact CB-O 3.37Å; T302-D327 HydrophobicContact CG2-CB 3.97Å; T302-V328 HydrophobicContact CG2-CG2 4.16Å; T302-T331 WeakPolarHBondContact CG2-OG1 3.4Å; T302-T331 WeakPolarHBondContact OG1-CG2 3.36Å; T302-T331 PolarHBondContact OG1-OG1 3.41Å
303	I	86	Confident	80.4	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.5	163.9	-61.8	154.4	0	0	0	108	I320 A321 W544 R549 I552 R553 L556	I303-I320 WeakPolarHBondContact O-CA 3.29Å; I303-A321 HydrophobicContact CB-CB 4.44Å; I303-A321 PolarHBondContact N-O 3.2Å; I303-A321 PolarHBondContact O-N 2.92Å; I303-W544 HydrophobicContact CB-CZ3 4.45Å; I303-W544 HydrophobicContact CD1-CE3 4.35Å; I303-W544 HydrophobicContact CD1-CH2 3.71Å; I303-W544 HydrophobicContact CD1-CZ3 3.54Å; I303-W544 HydrophobicContact CG1-CE3 4.36Å; I303-W544 HydrophobicContact CG1-CH2 4.37Å; I303-W544 HydrophobicContact CG1-CZ3 3.72Å; I303-R549 VanDerWaalsContact CD1-O 3.32Å; I303-R549 WeakPolarHBondContact CD1-O 3Å; I303-I552 HydrophobicContact CD1-CB 3.85Å; I303-I552 HydrophobicContact CD1-CG2 3.78Å; I303-R553 HydrophobicContact CG2-CB 4.25Å; I303-R553 HydrophobicContact CG2-CG 4.16Å; I303-L556 HydrophobicContact CB-CD1 4.39Å; I303-L556 HydrophobicContact CD1-CD1 4.45Å; I303-L556 HydrophobicContact CG2-CD1 3.96Å
304	I	87.3	Confident	79.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.8	171.5	-62.7	170.7	0	0	0	108.4	V293 V296 E297 L318 A319 T331 I335 R553	V293-I304 HydrophobicContact CG2-CB 3.62Å; V293-I304 HydrophobicContact CG2-CD1 4.06Å; V293-I304 HydrophobicContact CG2-CG1 4.4Å; V293-I304 HydrophobicContact CG2-CG2 3.71Å; V296-I304 HydrophobicContact CB-CD1 4.08Å; V296-I304 HydrophobicContact CG1-CD1 3.52Å; E297-I304 HydrophobicContact CG-CB 4.26Å; E297-I304 HydrophobicContact CG-CD1 4.38Å; E297-I304 HydrophobicContact CG-CG1 4.19Å; E297-I304 PolarHBondContact OE1-N 2.97Å; I304-L318 HydrophobicContact CG2-CD2 3.93Å; I304-A319 WeakPolarHBondContact CA-O 3.15Å; I304-T331 HydrophobicContact CD1-CG2 4.07Å; I304-I335 HydrophobicContact CD1-CD1 3.97Å; I304-R553 PolarHBondContact O-NH1 3.1Å; I304-R553 VanDerWaalsContact O-NH1 3.17Å
305	S	84.4	Confident	79.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.4	173.4	-64.4	0	0	0	0	108.8	L318 A319 K564	S305-L318 CarbonylContact O-C 3.12Å; S305-L318 VanDerWaalsContact O-CA 3.32Å; S305-L318 WeakPolarHBondContact O-CA 3.2Å; S305-A319 PolarHBondContact N-O 3.31Å; S305-A319 PolarHBondContact O-N 3.39Å; S305-K564 WeakPolarHBondContact CB-O 3.32Å
306	F	83.4	Confident	79.1	Confident	17 Å²	17	37.2 Å²	37.2	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.5	-171.2	57.5	-95.4	0	0	0	112.9	F286 R317 L318 L563 K564 P566	F286-F306 HydrophobicContact CD1-CD1 4.16Å; F286-F306 HydrophobicContact CD1-CE1 4.2Å; F286-F306 HydrophobicContact CE1-CB 4.29Å; F286-F306 AromaticContact CE1-CD1 3.38Å; F286-F306 HydrophobicContact CE1-CD1 3.38Å; F286-F306 AromaticContact CE1-CE1 3.88Å; F286-F306 HydrophobicContact CE1-CE1 3.88Å; F286-F306 HydrophobicContact CE1-CG 4.02Å; F286-F306 HydrophobicContact CZ-CB 3.81Å; F286-F306 AromaticContact CZ-CD1 3.62Å; F286-F306 HydrophobicContact CZ-CD1 3.62Å; F286-F306 HydrophobicContact CZ-CE1 4.29Å; F286-F306 AromaticContact CZ-CG 3.75Å; F286-F306 HydrophobicContact CZ-CG 3.75Å; F306-R317 WeakPolarHBondContact CA-O 3.17Å; F306-R317 WeakPolarHBondContact CB-O 3.38Å; F306-L318 HydrophobicContact CB-CG 4.44Å; F306-L563 CarbonylContact O-C 3.59Å; F306-K564 PolarHBondContact N-O 3.29Å; F306-K564 VanDerWaalsContact N-O 3.09Å; F306-K564 PolarHBondContact O-N 2.78Å; F306-P566 HydrophobicContact CE1-CB 4.36Å; F306-P566 HydrophobicContact CE1-CG 4.21Å
307	K	78.4	Confident	78.7	Confident	44 Å²	44	42.9 Å²	42.9	19%	0.191	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.8	129.3	169	-170.8	-160	166.9	-155.3	0	107.8	T309 E310 E313 Q316 R317 H562	K307-T309 PolarHBondContact O-N 2.94Å; K307-T309 PolarHBondContact O-OG1 3.25Å; K307-E310 IonicContact NZ-OE1 3.19Å; K307-E310 PolarHBondContact NZ-OE1 3.36Å; K307-E313 IonicContact NZ-OE1 2.67Å; K307-E313 IonicContact NZ-OE2 2.89Å; K307-Q316 PolarHBondContact O-NE2 3.14Å; K307-R317 HydrophobicContact CB-CB 4.16Å; K307-R317 PolarHBondContact N-O 3.09Å; K307-R317 VanDerWaalsContact N-O 3.14Å; K307-H562 WeakPolarHBondContact CA-O 3.22Å; K307-H562 HydrophobicContact CG-CB 4.27Å; K307-H562 WeakPolarHBondContact CG-O 3.48Å
308	P	71.4	Confident	78.6	Confident	38 Å²	38	43 Å²	43	25%	0.247	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-56.9	125.3	166.8	-24.5	36.3	0	0	0	109.8	H562 K564 M569	P308-H562 WeakPolarHBondContact CD-O 3.48Å; P308-K564 HydrophobicContact CG-CB 4.25Å; P308-K564 HydrophobicContact CG-CD 3.56Å; P308-K564 HydrophobicContact CG-CG 3.56Å; P308-M569 HydrophobicContact CB-CE 4.19Å; P308-M569 HydrophobicContact CG-CE 4.43Å
309	T	69.5	Low	78.6	Confident	22 Å²	22	43 Å²	43	14%	0.135	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-94.8	119	-172	-56.2	0	0	0	0	109.7	K279 K307 E313 W315 Q316	K279-T309 HydrophobicContact CD-CG2 3.71Å; K279-T309 HydrophobicContact CG-CG2 4.47Å; K279-T309 PolarHBondContact NZ-O 3.48Å; K307-T309 PolarHBondContact O-N 2.94Å; K307-T309 PolarHBondContact O-OG1 3.25Å; T309-E313 WeakPolarHBondContact CA-OE2 3.27Å; T309-E313 HydrophobicContact CG2-CB 3.37Å; T309-E313 HydrophobicContact CG2-CG 4.36Å; T309-E313 WeakPolarHBondContact CG2-OE2 3.07Å; T309-W315 VanDerWaalsContact CG2-O 3.24Å; T309-W315 WeakPolarHBondContact CG2-O 3.38Å; T309-Q316 WeakPolarHBondContact OG1-CA 3.4Å; T309-Q316 PolarHBondContact OG1-NE2 3.22Å; T309-Q316 VanDerWaalsContact OG1-NE2 3.15Å; T309-Q316 PolarHBondContact OG1-OE1 3.29Å
310	E	71.9	Confident	78.6	Confident	118 Å²	118	43 Å²	43	55%	0.551	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-63.9	164.6	-169.2	-69.1	164.4	-135.4	0	0	112.4	K279 K307 G312 E313	K279-E310 PolarHBondContact NZ-O 3.19Å; K307-E310 IonicContact NZ-OE1 3.19Å; K307-E310 PolarHBondContact NZ-OE1 3.36Å; E310-G312 PolarHBondContact O-N 3Å; E310-E313 HydrophobicContact CB-CG 4.26Å; E310-E313 PolarHBondContact N-OE2 3.08Å; E310-E313 PolarHBondContact O-N 3.23Å
311	E	59.2	Low	78.6	Confident	207 Å²	207	42.8 Å²	42.8	97%	0.967	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	120.8	176	-65.6	-167	160.3	0	0	109.4
312	G	64.9	Low	78.5	Confident	72 Å²	72	42.5 Å²	42.5	74%	0.742	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.7	-28.8	-171.6	0	0	0	0	0	115.1	E310 L314	E310-G312 PolarHBondContact O-N 3Å; G312-L314 PolarHBondContact O-N 3.3Å
313	E	70.9	Confident	78.1	Confident	62 Å²	62	47.4 Å²	47.4	29%	0.29	24%	0.235	S	C	.	.			trans	-63.7	122.3	176.1	-83.8	-172.1	128.5	0	0	110.6	K279 K307 T309 E310 W315	K279-E313 WeakPolarHBondContact CD-O 3.42Å; K279-E313 PolarHBondContact NZ-O 3.34Å; K307-E313 IonicContact NZ-OE1 2.67Å; K307-E313 IonicContact NZ-OE2 2.89Å; T309-E313 WeakPolarHBondContact CA-OE2 3.27Å; T309-E313 HydrophobicContact CG2-CB 3.37Å; T309-E313 HydrophobicContact CG2-CG 4.36Å; T309-E313 WeakPolarHBondContact CG2-OE2 3.07Å; E310-E313 HydrophobicContact CB-CG 4.26Å; E310-E313 PolarHBondContact N-OE2 3.08Å; E310-E313 PolarHBondContact O-N 3.23Å; E313-W315 VanDerWaalsContact C-N 3.33Å
314	L	75.7	Confident	77.8	Confident	108 Å²	108	52.6 Å²	52.6	57%	0.565	26%	0.256	S	S	*	.			trans	-81	-9.9	177.2	-66.7	176.7	0	0	0	113.8	K279 G312	K279-L314 WeakPolarHBondContact CB-O 3.17Å; K279-L314 PolarHBondContact N-O 2.98Å; G312-L314 PolarHBondContact O-N 3.3Å
315	W	76.5	Confident	77.5	Confident	67 Å²	67	58.5 Å²	58.5	25%	0.254	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.7	-166.6	-66.5	97.8	0	0	0	111.9	D8 V276 I277 P278 T309 E313	D8-W315 PolarHBondContact OD2-NE1 3.43Å; V276-W315 HydrophobicContact CG1-CB 3.81Å; V276-W315 HydrophobicContact CG1-CE3 4.12Å; V276-W315 HydrophobicContact CG1-CG 4.46Å; I277-W315 CarbonylContact O-C 3.59Å; P278-W315 HydrophobicContact CG-CE3 4.27Å; P278-W315 HydrophobicContact CG-CH2 4.17Å; P278-W315 HydrophobicContact CG-CZ3 3.72Å; T309-W315 VanDerWaalsContact CG2-O 3.24Å; T309-W315 WeakPolarHBondContact CG2-O 3.38Å; E313-W315 VanDerWaalsContact C-N 3.33Å
316	Q	79.5	Confident	77.5	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.065	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.9	178.7	176	60.6	67.4	0	0	110.3	V276 I277 F286 K307 T309 L318	V276-Q316 WeakPolarHBondContact CA-O 3.15Å; I277-Q316 HydrophobicContact CG1-CB 4.01Å; I277-Q316 HydrophobicContact CG1-CG 4.35Å; I277-Q316 PolarHBondContact N-O 3Å; I277-Q316 PolarHBondContact O-N 2.86Å; F286-Q316 HydrophobicContact CE2-CG 4.04Å; F286-Q316 HydrophobicContact CZ-CG 4.42Å; K307-Q316 PolarHBondContact O-NE2 3.14Å; T309-Q316 WeakPolarHBondContact OG1-CA 3.4Å; T309-Q316 PolarHBondContact OG1-NE2 3.22Å; T309-Q316 VanDerWaalsContact OG1-NE2 3.15Å; T309-Q316 PolarHBondContact OG1-OE1 3.29Å; Q316-L318 HydrophobicContact CG-CD1 4.12Å
317	R	80	Confident	77.6	Confident	120 Å²	120	67.7 Å²	67.7	45%	0.453	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.7	172.7	-55.8	-166.4	-173.9	-156.1	5	111.5	V276 F306 K307	V276-R317 HydrophobicContact CG1-CG 4.32Å; V276-R317 HydrophobicContact CG2-CG 4.19Å; F306-R317 WeakPolarHBondContact CA-O 3.17Å; F306-R317 WeakPolarHBondContact CB-O 3.38Å; K307-R317 HydrophobicContact CB-CB 4.16Å; K307-R317 PolarHBondContact N-O 3.09Å; K307-R317 VanDerWaalsContact N-O 3.14Å
318	L	85.4	Confident	77.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	172.4	-58.9	88.7	0	0	0	109.2	E274 M275 I277 I285 F286 I304 S305 F306 Q316	E274-L318 CarbonylContact C-O 3.27Å; E274-L318 VanDerWaalsContact CA-O 3.24Å; E274-L318 WeakPolarHBondContact CA-O 3.36Å; M275-L318 PolarHBondContact N-O 3.47Å; M275-L318 PolarHBondContact O-N 3.4Å; I277-L318 HydrophobicContact CB-CD1 4.46Å; I277-L318 HydrophobicContact CD1-CD1 3.65Å; I277-L318 HydrophobicContact CG1-CD1 3.68Å; I277-L318 HydrophobicContact CG2-CD1 4.08Å; I285-L318 HydrophobicContact CG2-CD2 4.05Å; F286-L318 HydrophobicContact CE1-CD2 3.98Å; F286-L318 HydrophobicContact CZ-CD2 3.73Å; F286-L318 HydrophobicContact CZ-CG 4.09Å; I304-L318 HydrophobicContact CG2-CD2 3.93Å; S305-L318 CarbonylContact O-C 3.12Å; S305-L318 VanDerWaalsContact O-CA 3.32Å; S305-L318 WeakPolarHBondContact O-CA 3.2Å; F306-L318 HydrophobicContact CB-CG 4.44Å; Q316-L318 HydrophobicContact CG-CD1 4.12Å
319	A	85.2	Confident	78.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.8	164.3	0	0	0	0	0	109.1	I304 S305 L563	I304-A319 WeakPolarHBondContact CA-O 3.15Å; S305-A319 PolarHBondContact N-O 3.31Å; S305-A319 PolarHBondContact O-N 3.39Å; A319-L563 HydrophobicContact CB-CD1 3.51Å; A319-L563 HydrophobicContact CB-CD2 3.96Å; A319-L563 HydrophobicContact CB-CG 4.41Å
320	I	87.6	Confident	79.5	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	174.7	-54.2	170.9	0	0	0	107	K272 R273 M275 T302 I303 V328 T331 I335	K272-I320 CarbonylContact C-O 3.51Å; K272-I320 WeakPolarHBondContact CA-O 3.33Å; R273-I320 PolarHBondContact N-O 3.41Å; R273-I320 PolarHBondContact O-N 2.95Å; M275-I320 HydrophobicContact CB-CD1 4.5Å; T302-I320 HydrophobicContact CG2-CG2 4.19Å; I303-I320 WeakPolarHBondContact O-CA 3.29Å; I320-V328 HydrophobicContact CB-CG1 4.22Å; I320-V328 HydrophobicContact CG2-CB 4.43Å; I320-V328 HydrophobicContact CG2-CG1 3.96Å; I320-V328 HydrophobicContact CG2-CG2 4.42Å; I320-T331 HydrophobicContact CD1-CG2 4.22Å; I320-T331 HydrophobicContact CG2-CG2 3.78Å; I320-I335 HydrophobicContact CD1-CD1 3.83Å; I320-I335 HydrophobicContact CG1-CD1 4.38Å
321	A	84.8	Confident	80.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.8	-179.8	0	0	0	0	0	112.1	F270 A271 T302 I303 W544 L556	F270-A321 HydrophobicContact CD2-CB 4.28Å; A271-A321 CarbonylContact O-C 3.6Å; A271-A321 VanDerWaalsContact O-CA 3.25Å; A271-A321 WeakPolarHBondContact O-CA 3.42Å; T302-A321 CarbonylContact C-O 3.48Å; T302-A321 VanDerWaalsContact CA-O 3.26Å; T302-A321 WeakPolarHBondContact CA-O 3.34Å; T302-A321 WeakPolarHBondContact CB-O 3.37Å; I303-A321 HydrophobicContact CB-CB 4.44Å; I303-A321 PolarHBondContact N-O 3.2Å; I303-A321 PolarHBondContact O-N 2.92Å; A321-W544 WeakPolarHBondContact O-CZ3 3.34Å; A321-L556 HydrophobicContact CB-CD1 3.44Å; A321-L556 VanDerWaalsContact CB-CD1 3.44Å; A321-L556 HydrophobicContact CB-CD2 3.91Å; A321-L556 HydrophobicContact CB-CG 4.2Å
322	G	81.7	Confident	81.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148.4	-176.8	0	0	0	0	0	112.8	A271 Y324 V328	A271-G322 PolarHBondContact N-O 3.32Å; A271-G322 PolarHBondContact O-N 3.38Å; G322-Y324 PolarHBondContact O-N 3.26Å; G322-V328 VanDerWaalsContact N-CG2 3.33Å
323	R	76.6	Confident	82.7	Confident	104 Å²	104	49.3 Å²	49.3	39%	0.392	21%	0.214	S	C	.	.	S	Bend	trans	-55.1	-35.5	174.8	-161.8	-177.9	-166	-150.6	6.5	112.3	E268 W544	E268-R323 IonicContact OE1-CZ 3.16Å; E268-R323 IonicContact OE1-NE 3.26Å; E268-R323 PolarHBondContact OE1-NE 3.05Å; E268-R323 IonicContact OE1-NH2 3.3Å; E268-R323 PolarHBondContact OE1-NH2 3.49Å; E268-R323 IonicContact OE2-NE 3.47Å; R323-W544 HydrophobicContact CB-CD2 4.28Å; R323-W544 HydrophobicContact CB-CG 4.4Å; R323-W544 HydrophobicContact CB-CZ2 4.16Å
324	Y	79.1	Confident	83.6	Confident	110 Å²	110	46.5 Å²	46.5	43%	0.431	20%	0.201	S	C	.	.	S	Bend	trans	-116.8	135.7	176.9	-54.7	-62.4	0	0	0	111	G322 R326 D327 V328	G322-Y324 PolarHBondContact O-N 3.26Å; Y324-R326 PolarHBondContact O-N 2.98Å; Y324-D327 WeakPolarHBondContact O-CB 3.38Å; Y324-D327 PolarHBondContact O-N 3.19Å; Y324-V328 PolarHBondContact O-N 3.12Å
325	K	81.6	Confident	84.2	Confident	123 Å²	123	41.4 Å²	41.4	54%	0.535	17%	0.174	S	C	.	.	H	α-helix	trans	-52.5	-37.1	170.9	177.6	178.8	172.4	179.4	0	112.2	A257 A271 D327 V328 D329	A257-K325 HydrophobicContact CB-CD 4.38Å; A257-K325 HydrophobicContact CB-CG 4.26Å; A271-K325 HydrophobicContact CB-CB 4.09Å; K325-D327 VanDerWaalsContact C-N 3.32Å; K325-D327 PolarHBondContact O-N 2.98Å; K325-V328 PolarHBondContact O-N 2.99Å; K325-D329 PolarHBondContact O-N 2.69Å
326	R	84.2	Confident	84.6	Confident	187 Å²	187	41.3 Å²	41.3	71%	0.706	18%	0.177	S	C	*	.	H	α-helix	trans	-56.3	-43.8	175	-178.6	-177.1	-70.2	156.7	-2.5	112	Y324 D329 N330	Y324-R326 PolarHBondContact O-N 2.98Å; R326-D329 PolarHBondContact O-N 2.77Å; R326-N330 WeakPolarHBondContact O-CB 3.29Å; R326-N330 PolarHBondContact O-N 3.41Å; R326-N330 PolarHBondContact O-ND2 3.19Å; R326-N330 VanDerWaalsContact O-ND2 3.1Å; R326-N330 PolarHBondContact O-OD1 3.5Å
327	D	84.6	Confident	85	Confident	24 Å²	24	40.6 Å²	40.6	13%	0.128	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-43.3	-178.8	-64.4	5.7	0	0	0	109.5	N301 T302 Y324 K325 D329 N330 T331	N301-D327 PolarHBondContact ND2-OD2 2.83Å; N301-D327 VanDerWaalsContact ND2-OD2 3.08Å; T302-D327 HydrophobicContact CG2-CB 3.97Å; Y324-D327 WeakPolarHBondContact O-CB 3.38Å; Y324-D327 PolarHBondContact O-N 3.19Å; K325-D327 VanDerWaalsContact C-N 3.32Å; K325-D327 PolarHBondContact O-N 2.98Å; D327-D329 PolarHBondContact O-N 3.41Å; D327-N330 WeakPolarHBondContact O-CB 3.35Å; D327-N330 PolarHBondContact O-N 2.88Å; D327-N330 VanDerWaalsContact O-N 3.16Å; D327-T331 PolarHBondContact O-N 2.9Å; D327-T331 PolarHBondContact O-OG1 3.11Å
328	V	85.6	Confident	85.4	Confident	0 Å²	0	35 Å²	35	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-43	173.3	179.2	0	0	0	0	112.7	A271 R273 T302 I320 G322 Y324 K325 N330 T331 T332	A271-V328 HydrophobicContact CB-CG2 3.98Å; R273-V328 HydrophobicContact CB-CG1 3.56Å; T302-V328 HydrophobicContact CG2-CG2 4.16Å; I320-V328 HydrophobicContact CB-CG1 4.22Å; I320-V328 HydrophobicContact CG2-CB 4.43Å; I320-V328 HydrophobicContact CG2-CG1 3.96Å; I320-V328 HydrophobicContact CG2-CG2 4.42Å; G322-V328 VanDerWaalsContact N-CG2 3.33Å; Y324-V328 PolarHBondContact O-N 3.12Å; K325-V328 PolarHBondContact O-N 2.99Å; V328-N330 VanDerWaalsContact C-N 3.33Å; V328-N330 PolarHBondContact O-N 2.84Å; V328-T331 PolarHBondContact O-N 2.99Å; V328-T332 WeakPolarHBondContact O-CB 3.32Å; V328-T332 PolarHBondContact O-N 2.86Å; V328-T332 PolarHBondContact O-OG1 3.18Å
329	D	85.2	Confident	85.5	Confident	51 Å²	51	34.9 Å²	34.9	27%	0.273	15%	0.152	S	C	.	.	H	α-helix	trans	-59	-44.4	172.6	-71.7	-39.3	0	0	0	111	R273 K325 R326 D327 T332 C333	R273-D329 IonicContact CZ-OD1 2.73Å; R273-D329 IonicContact NH1-OD1 2.87Å; R273-D329 PolarHBondContact NH1-OD1 2.83Å; R273-D329 IonicContact NH2-OD1 2.73Å; R273-D329 PolarHBondContact NH2-OD1 3.49Å; K325-D329 PolarHBondContact O-N 2.69Å; R326-D329 PolarHBondContact O-N 2.77Å; D327-D329 PolarHBondContact O-N 3.41Å; D329-T332 WeakPolarHBondContact O-CB 3.23Å; D329-T332 PolarHBondContact O-N 3.13Å; D329-C333 PolarHBondContact O-N 3.08Å; D329-C333 VanDerWaalsContact O-N 3.08Å; D329-C333 PolarHBondContact O-SG 3.34Å
330	N	88.4	Confident	85.4	Confident	18 Å²	18	37.8 Å²	37.8	10%	0.096	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-43.6	179.1	-63.7	-23	0	0	0	112.1	R326 D327 V328 T332 C333 F334 R496 I498	R326-N330 WeakPolarHBondContact O-CB 3.29Å; R326-N330 PolarHBondContact O-N 3.41Å; R326-N330 PolarHBondContact O-ND2 3.19Å; R326-N330 VanDerWaalsContact O-ND2 3.1Å; R326-N330 PolarHBondContact O-OD1 3.5Å; D327-N330 WeakPolarHBondContact O-CB 3.35Å; D327-N330 PolarHBondContact O-N 2.88Å; D327-N330 VanDerWaalsContact O-N 3.16Å; V328-N330 VanDerWaalsContact C-N 3.33Å; V328-N330 PolarHBondContact O-N 2.84Å; N330-T332 PolarHBondContact O-N 3.46Å; N330-C333 WeakPolarHBondContact O-CB 3.48Å; N330-C333 PolarHBondContact O-N 3.5Å; N330-F334 PolarHBondContact O-N 2.9Å; N330-R496 HydrophobicContact CB-CB 4.28Å; N330-R496 WeakPolarHBondContact CB-O 3.39Å; N330-R496 PolarHBondContact ND2-O 3.16Å; N330-R496 VanDerWaalsContact OD1-CB 3.27Å; N330-R496 WeakPolarHBondContact OD1-CB 3.46Å; N330-I498 HydrophobicContact CB-CD1 4.26Å
331	T	89.3	Confident	85.3	Confident	0 Å²	0	39 Å²	39	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-45.3	174.1	-48.4	0	0	0	0	111.3	V296 S300 T302 I304 I320 D327 V328 C333 F334 I335	V296-T331 HydrophobicContact CG1-CG2 3.97Å; S300-T331 WeakPolarHBondContact CB-OG1 3.4Å; S300-T331 PolarHBondContact OG-OG1 3.31Å; T302-T331 WeakPolarHBondContact CG2-OG1 3.4Å; T302-T331 WeakPolarHBondContact OG1-CG2 3.36Å; T302-T331 PolarHBondContact OG1-OG1 3.41Å; I304-T331 HydrophobicContact CD1-CG2 4.07Å; I320-T331 HydrophobicContact CD1-CG2 4.22Å; I320-T331 HydrophobicContact CG2-CG2 3.78Å; D327-T331 PolarHBondContact O-N 2.9Å; D327-T331 PolarHBondContact O-OG1 3.11Å; V328-T331 PolarHBondContact O-N 2.99Å; T331-C333 VanDerWaalsContact C-N 3.25Å; T331-C333 PolarHBondContact O-N 3.4Å; T331-F334 PolarHBondContact O-N 3.13Å; T331-F334 VanDerWaalsContact O-N 3.14Å; T331-I335 HydrophobicContact CG2-CD1 3.85Å; T331-I335 HydrophobicContact CG2-CG1 4.35Å; T331-I335 WeakPolarHBondContact O-CB 3.35Å; T331-I335 WeakPolarHBondContact O-CG1 3.4Å; T331-I335 PolarHBondContact O-N 3.02Å
332	T	87.5	Confident	85.3	Confident	12 Å²	12	45 Å²	45	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-55.3	-45.1	176	-49.6	0	0	0	0	110.3	V254 R273 M275 V328 D329 N330 H336	V254-T332 HydrophobicContact CG1-CG2 3.73Å; V254-T332 HydrophobicContact CG2-CG2 4.11Å; R273-T332 WeakPolarHBondContact CD-OG1 3.45Å; R273-T332 PolarHBondContact NH1-OG1 3.38Å; R273-T332 VanDerWaalsContact NH1-OG1 3.13Å; M275-T332 HydrophobicContact SD-CG2 4.2Å; V328-T332 WeakPolarHBondContact O-CB 3.32Å; V328-T332 PolarHBondContact O-N 2.86Å; V328-T332 PolarHBondContact O-OG1 3.18Å; D329-T332 WeakPolarHBondContact O-CB 3.23Å; D329-T332 PolarHBondContact O-N 3.13Å; N330-T332 PolarHBondContact O-N 3.46Å; T332-H336 WeakPolarHBondContact O-CB 3.36Å; T332-H336 PolarHBondContact O-N 3.11Å
333	C	86.7	Confident	85.6	Confident	34 Å²	34	45.4 Å²	45.4	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-69	-35.1	178.9	-64.3	0	0	0	0	113.6	D329 N330 T331 L337 L492 R496	D329-C333 PolarHBondContact O-N 3.08Å; D329-C333 VanDerWaalsContact O-N 3.08Å; D329-C333 PolarHBondContact O-SG 3.34Å; N330-C333 WeakPolarHBondContact O-CB 3.48Å; N330-C333 PolarHBondContact O-N 3.5Å; T331-C333 VanDerWaalsContact C-N 3.25Å; T331-C333 PolarHBondContact O-N 3.4Å; C333-L337 PolarHBondContact O-N 2.97Å; C333-L492 HydrophobicContact CB-CD2 3.88Å; C333-R496 PolarHBondContact SG-NH1 2.99Å
334	F	90.3	Very high	86	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-72.9	-43.3	178.1	-174.8	-115.3	0	0	0	111.7	V296 L299 N330 T331 H336 L337 L338 M345 L489 L492 I498	V296-F334 HydrophobicContact CG1-CD1 4.2Å; V296-F334 HydrophobicContact CG2-CD1 4.35Å; V296-F334 HydrophobicContact CG2-CE1 4.07Å; L299-F334 HydrophobicContact CD1-CE1 3.57Å; L299-F334 HydrophobicContact CD1-CZ 3.57Å; N330-F334 PolarHBondContact O-N 2.9Å; T331-F334 PolarHBondContact O-N 3.13Å; T331-F334 VanDerWaalsContact O-N 3.14Å; F334-H336 VanDerWaalsContact C-N 3.3Å; F334-H336 PolarHBondContact O-N 3.14Å; F334-L337 HydrophobicContact CD2-CD2 4.27Å; F334-L337 HydrophobicContact CE2-CD2 4.28Å; F334-L337 WeakPolarHBondContact O-CB 3.32Å; F334-L337 PolarHBondContact O-N 3.02Å; F334-L337 VanDerWaalsContact O-N 3.15Å; F334-L338 HydrophobicContact CD1-CD1 4.1Å; F334-L338 HydrophobicContact CD1-CG 4.44Å; F334-L338 HydrophobicContact CE1-CD1 3.8Å; F334-L338 HydrophobicContact CE1-CD2 4.32Å; F334-L338 HydrophobicContact CE1-CG 4.17Å; F334-L338 HydrophobicContact CE2-CD2 4.4Å; F334-L338 HydrophobicContact CZ-CD1 4.3Å; F334-L338 HydrophobicContact CZ-CD2 3.97Å; F334-L338 HydrophobicContact CZ-CG 4.22Å; F334-L338 WeakPolarHBondContact O-CG 3.31Å; F334-L338 PolarHBondContact O-N 3.32Å; F334-M345 HydrophobicContact CE1-SD 4.23Å; F334-M345 HydrophobicContact CZ-SD 4.13Å; F334-L489 HydrophobicContact CD2-CD1 4.28Å; F334-L489 HydrophobicContact CE2-CD1 3.77Å; F334-L492 HydrophobicContact CD2-CD1 4.39Å; F334-I498 HydrophobicContact CB-CD1 3.92Å; F334-I498 HydrophobicContact CD2-CG1 4.41Å; F334-I498 HydrophobicContact CD2-CG2 4.31Å; F334-I498 HydrophobicContact CE2-CG2 4.34Å; F334-I498 HydrophobicContact CG-CD1 4.23Å
335	I	89.1	Confident	86.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-44.5	171	-69.9	172.3	0	0	0	110.3	M275 I285 V296 I304 I320 T331 L337 L338 L339	M275-I335 HydrophobicContact CE-CG2 3.81Å; M275-I335 HydrophobicContact SD-CB 4.29Å; M275-I335 HydrophobicContact SD-CG2 3.69Å; I285-I335 HydrophobicContact CD1-CB 4.44Å; I285-I335 HydrophobicContact CD1-CG1 4.37Å; I285-I335 HydrophobicContact CD1-CG2 3.94Å; I285-I335 HydrophobicContact CG1-CG2 4.3Å; V296-I335 HydrophobicContact CG1-CG1 4.34Å; I304-I335 HydrophobicContact CD1-CD1 3.97Å; I320-I335 HydrophobicContact CD1-CD1 3.83Å; I320-I335 HydrophobicContact CG1-CD1 4.38Å; T331-I335 HydrophobicContact CG2-CD1 3.85Å; T331-I335 HydrophobicContact CG2-CG1 4.35Å; T331-I335 WeakPolarHBondContact O-CB 3.35Å; T331-I335 WeakPolarHBondContact O-CG1 3.4Å; T331-I335 PolarHBondContact O-N 3.02Å; I335-L337 PolarHBondContact O-N 2.66Å; I335-L338 PolarHBondContact O-N 3.44Å; I335-L339 HydrophobicContact CG2-CD1 3.58Å; I335-L339 HydrophobicContact CG2-CG 4.47Å; I335-L339 WeakPolarHBondContact O-CD1 3.49Å; I335-L339 VanDerWaalsContact O-CG 3.27Å; I335-L339 WeakPolarHBondContact O-CG 3.32Å; I335-L339 PolarHBondContact O-N 3.48Å
336	H	85.3	Confident	86.6	Confident	65 Å²	65	40.6 Å²	40.6	30%	0.301	19%	0.187	S	C	.	.	H	α-helix	trans	-57.8	-44.8	174	177.9	-99.4	0	0	0	112.6	F252 T332 F334 L339 K340	F252-H336 AromaticContact CD2-CD2 3.74Å; F252-H336 AromaticContact CE2-CD2 3.87Å; T332-H336 WeakPolarHBondContact O-CB 3.36Å; T332-H336 PolarHBondContact O-N 3.11Å; F334-H336 VanDerWaalsContact C-N 3.3Å; F334-H336 PolarHBondContact O-N 3.14Å; H336-L339 PolarHBondContact O-N 2.84Å; H336-K340 WeakPolarHBondContact O-CB 3.47Å; H336-K340 PolarHBondContact O-N 3.08Å
337	L	87	Confident	86.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-51.2	174.6	178.6	100.3	0	0	0	111.9	C333 F334 I335 L339 K340 Y341 I343 E488 L489 L492	C333-L337 PolarHBondContact O-N 2.97Å; F334-L337 HydrophobicContact CD2-CD2 4.27Å; F334-L337 HydrophobicContact CE2-CD2 4.28Å; F334-L337 WeakPolarHBondContact O-CB 3.32Å; F334-L337 PolarHBondContact O-N 3.02Å; F334-L337 VanDerWaalsContact O-N 3.15Å; I335-L337 PolarHBondContact O-N 2.66Å; L337-L339 PolarHBondContact O-N 3.3Å; L337-K340 PolarHBondContact O-N 3Å; L337-Y341 HydrophobicContact CD1-CD2 3.93Å; L337-Y341 HydrophobicContact CD1-CE2 3.95Å; L337-Y341 HydrophobicContact CG-CD2 4.21Å; L337-Y341 PolarHBondContact O-N 3.5Å; L337-Y341 VanDerWaalsContact O-N 3.08Å; L337-I343 HydrophobicContact CD2-CD1 3.66Å; L337-I343 HydrophobicContact CG-CD1 3.95Å; L337-E488 HydrophobicContact CD1-CB 3.6Å; L337-E488 HydrophobicContact CD1-CG 3.56Å; L337-L489 HydrophobicContact CD2-CB 4.03Å; L337-L489 HydrophobicContact CD2-CD1 3.77Å; L337-L489 HydrophobicContact CD2-CG 4.32Å; L337-L492 HydrophobicContact CB-CD1 3.99Å; L337-L492 HydrophobicContact CD1-CD1 4.23Å; L337-L492 HydrophobicContact CD2-CD1 4.08Å; L337-L492 HydrophobicContact CG-CD1 4.32Å
338	L	88.9	Confident	86.5	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-53	-45.1	-179.6	-70	176.6	0	0	0	110.9	I285 V296 F334 I335 Q342 I343 M345	I285-L338 HydrophobicContact CD1-CB 4.02Å; I285-L338 HydrophobicContact CD1-CD1 3.78Å; V296-L338 HydrophobicContact CG2-CD1 3.97Å; F334-L338 HydrophobicContact CD1-CD1 4.1Å; F334-L338 HydrophobicContact CD1-CG 4.44Å; F334-L338 HydrophobicContact CE1-CD1 3.8Å; F334-L338 HydrophobicContact CE1-CD2 4.32Å; F334-L338 HydrophobicContact CE1-CG 4.17Å; F334-L338 HydrophobicContact CE2-CD2 4.4Å; F334-L338 HydrophobicContact CZ-CD1 4.3Å; F334-L338 HydrophobicContact CZ-CD2 3.97Å; F334-L338 HydrophobicContact CZ-CG 4.22Å; F334-L338 WeakPolarHBondContact O-CG 3.31Å; F334-L338 PolarHBondContact O-N 3.32Å; I335-L338 PolarHBondContact O-N 3.44Å; L338-Q342 CarbonylContact O-C 3.4Å; L338-Q342 WeakPolarHBondContact O-CA 3.34Å; L338-Q342 PolarHBondContact O-N 3.4Å; L338-I343 HydrophobicContact CD2-CB 3.78Å; L338-I343 HydrophobicContact CD2-CD1 4.26Å; L338-I343 HydrophobicContact CD2-CG2 3.97Å; L338-I343 PolarHBondContact O-N 3.28Å; L338-M345 HydrophobicContact CD1-SD 4.37Å; L338-M345 HydrophobicContact CD2-CG 4.11Å; L338-M345 HydrophobicContact CD2-SD 4.04Å
339	L	85.9	Confident	86.5	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-77.2	-40	-178	-60.3	162	0	0	0	112.7	F252 M275 I277 L281 L284 I285 I335 H336 L337 Y341 Q342	F252-L339 HydrophobicContact CD1-CD1 3.99Å; F252-L339 HydrophobicContact CE1-CB 3.84Å; F252-L339 HydrophobicContact CE1-CD1 3.49Å; F252-L339 VanDerWaalsContact CE1-CD1 3.49Å; F252-L339 HydrophobicContact CE1-CG 4.15Å; F252-L339 HydrophobicContact CE2-CB 4.03Å; F252-L339 HydrophobicContact CE2-CD1 4.43Å; F252-L339 HydrophobicContact CZ-CB 3.28Å; F252-L339 HydrophobicContact CZ-CD1 3.75Å; F252-L339 HydrophobicContact CZ-CG 4.08Å; M275-L339 HydrophobicContact CE-CD1 4.43Å; I277-L339 HydrophobicContact CB-CD1 4.4Å; I277-L339 HydrophobicContact CD1-CD1 4.42Å; I277-L339 HydrophobicContact CG2-CD1 3.93Å; L281-L339 HydrophobicContact CB-CD2 3.71Å; L281-L339 HydrophobicContact CD1-CD2 4.4Å; L284-L339 HydrophobicContact CB-CD2 4.3Å; L284-L339 HydrophobicContact CD1-CD2 4.29Å; I285-L339 HydrophobicContact CD1-CD1 4.34Å; I285-L339 HydrophobicContact CD1-CD2 4.12Å; I285-L339 HydrophobicContact CD1-CG 4.01Å; I285-L339 HydrophobicContact CG1-CD1 4.3Å; I285-L339 HydrophobicContact CG1-CD2 3.9Å; I285-L339 HydrophobicContact CG1-CG 4.22Å; I335-L339 HydrophobicContact CG2-CD1 3.58Å; I335-L339 HydrophobicContact CG2-CG 4.47Å; I335-L339 WeakPolarHBondContact O-CD1 3.49Å; I335-L339 VanDerWaalsContact O-CG 3.27Å; I335-L339 WeakPolarHBondContact O-CG 3.32Å; I335-L339 PolarHBondContact O-N 3.48Å; H336-L339 PolarHBondContact O-N 2.84Å; L337-L339 PolarHBondContact O-N 3.3Å; L339-Y341 VanDerWaalsContact C-N 3.29Å; L339-Y341 PolarHBondContact O-N 3.28Å; L339-Q342 PolarHBondContact O-N 3.27Å
340	K	83.7	Confident	86.5	Confident	60 Å²	60	37.1 Å²	37.1	26%	0.261	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-33.4	178	175.6	-174.1	-179.5	-168.4	0	113.5	H336 L337 E488	H336-K340 WeakPolarHBondContact O-CB 3.47Å; H336-K340 PolarHBondContact O-N 3.08Å; L337-K340 PolarHBondContact O-N 3Å; K340-E488 IonicContact NZ-OE1 2.72Å; K340-E488 PolarHBondContact NZ-OE1 3.28Å; K340-E488 IonicContact NZ-OE2 3.09Å; K340-E488 PolarHBondContact NZ-OE2 2.85Å
341	Y	85.7	Confident	86.4	Confident	27 Å²	27	36.8 Å²	36.8	11%	0.106	19%	0.186	C	C	.	.	H	α-helix	trans	-109.7	0.9	179.1	-68.1	-83.3	0	0	0	113.7	L337 L339 I343 Q481 N484 C485 E488	L337-Y341 HydrophobicContact CD1-CD2 3.93Å; L337-Y341 HydrophobicContact CD1-CE2 3.95Å; L337-Y341 HydrophobicContact CG-CD2 4.21Å; L337-Y341 PolarHBondContact O-N 3.5Å; L337-Y341 VanDerWaalsContact O-N 3.08Å; L339-Y341 VanDerWaalsContact C-N 3.29Å; L339-Y341 PolarHBondContact O-N 3.28Å; Y341-I343 VanDerWaalsContact C-N 3.28Å; Y341-I343 PolarHBondContact O-N 3.36Å; Y341-Q481 HydrophobicContact CD1-CG 3.89Å; Y341-Q481 HydrophobicContact CE1-CG 4.09Å; Y341-Q481 WeakPolarHBondContact CE1-O 3.32Å; Y341-N484 HydrophobicContact CE1-CB 4.44Å; Y341-C485 HydrophobicContact CD1-CB 3.57Å; Y341-C485 HydrophobicContact CD2-CB 4.27Å; Y341-C485 HydrophobicContact CE1-CB 3.77Å; Y341-C485 HydrophobicContact CE2-CB 4.45Å; Y341-C485 HydrophobicContact CG-CB 3.84Å; Y341-E488 WeakPolarHBondContact CE2-OE2 3.21Å; Y341-E488 PolarHBondContact OH-OE2 3.06Å
342	Q	85.4	Confident	86.2	Confident	124 Å²	124	39.1 Å²	39.1	58%	0.579	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.8	-175.5	-58.2	-177	8.6	0	0	113.3	L284 L338 L339 K344	L284-Q342 HydrophobicContact CD1-CB 4.17Å; L284-Q342 HydrophobicContact CD1-CG 4.24Å; L338-Q342 CarbonylContact O-C 3.4Å; L338-Q342 WeakPolarHBondContact O-CA 3.34Å; L338-Q342 PolarHBondContact O-N 3.4Å; L339-Q342 PolarHBondContact O-N 3.27Å; Q342-K344 PolarHBondContact O-N 3.43Å
343	I	86.7	Confident	86.2	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.046	21%	0.207	C	C	.	.			trans	-69.8	118.7	-178.1	-52.3	177.1	0	0	0	108.8	L337 L338 Y341 L454 C485	L337-I343 HydrophobicContact CD2-CD1 3.66Å; L337-I343 HydrophobicContact CG-CD1 3.95Å; L338-I343 HydrophobicContact CD2-CB 3.78Å; L338-I343 HydrophobicContact CD2-CD1 4.26Å; L338-I343 HydrophobicContact CD2-CG2 3.97Å; L338-I343 PolarHBondContact O-N 3.28Å; Y341-I343 VanDerWaalsContact C-N 3.28Å; Y341-I343 PolarHBondContact O-N 3.36Å; I343-L454 HydrophobicContact CG2-CB 4.07Å; I343-L454 HydrophobicContact CG2-CD2 3.88Å; I343-L454 HydrophobicContact CG2-CG 4.49Å; I343-C485 VanDerWaalsContact CD1-SG 3.57Å
344	K	86.8	Confident	86.1	Confident	165 Å²	165	38.7 Å²	38.7	72%	0.717	20%	0.197	S	C	*	.			trans	-91.8	111.7	173.8	-64.4	-170.8	177.6	-170.7	0	109.7	L284 Q342 D346	L284-K344 HydrophobicContact CD2-CG 3.79Å; Q342-K344 PolarHBondContact O-N 3.43Å; K344-D346 PolarHBondContact O-N 2.81Å
345	M	86	Confident	85.8	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.039	20%	0.201	C	C	.	.			trans	-82.9	94.9	171.4	-66.8	-171.2	65.6	0	0	109.9	V292 M295 L299 F334 L338 F347 L350 L454 L503	V292-M345 HydrophobicContact CG1-CB 4.01Å; V292-M345 HydrophobicContact CG1-SD 4.42Å; V292-M345 HydrophobicContact CG2-CB 4.28Å; V292-M345 VanDerWaalsContact CG2-O 3.31Å; V292-M345 WeakPolarHBondContact CG2-O 3.47Å; M295-M345 HydrophobicContact CB-CE 3.91Å; M295-M345 HydrophobicContact CE-CB 3.83Å; M295-M345 HydrophobicContact CE-CE 4.27Å; M295-M345 HydrophobicContact SD-CE 3.98Å; L299-M345 HydrophobicContact CD1-CE 3.8Å; L299-M345 HydrophobicContact CD1-SD 4.44Å; F334-M345 HydrophobicContact CE1-SD 4.23Å; F334-M345 HydrophobicContact CZ-SD 4.13Å; L338-M345 HydrophobicContact CD1-SD 4.37Å; L338-M345 HydrophobicContact CD2-CG 4.11Å; L338-M345 HydrophobicContact CD2-SD 4.04Å; M345-F347 PolarHBondContact O-N 3.37Å; M345-L350 HydrophobicContact CB-CD1 4.32Å; M345-L350 HydrophobicContact CE-CD1 4Å; M345-L454 HydrophobicContact CG-CD2 3.93Å; M345-L503 HydrophobicContact CE-CD2 4.16Å
346	D	85.3	Confident	85.5	Confident	64 Å²	64	45 Å²	45	34%	0.342	23%	0.225	S	C	.	.			trans	-81.1	109.5	174.5	-178	-41.1	0	0	0	110.2	K344 A348 Q349 L350	K344-D346 PolarHBondContact O-N 2.81Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.99Å; D346-A348 WeakPolarHBondContact OD1-CA 3.46Å; D346-A348 WeakPolarHBondContact OD1-CB 3.25Å; D346-A348 PolarHBondContact OD1-N 3.3Å; D346-Q349 HydrophobicContact CB-CB 3.94Å; D346-Q349 HydrophobicContact CB-CG 3.95Å; D346-Q349 VanDerWaalsContact CG-CG 3.43Å; D346-Q349 VanDerWaalsContact CG-NE2 3.32Å; D346-Q349 PolarHBondContact O-N 3.27Å; D346-Q349 PolarHBondContact OD1-N 3.38Å; D346-Q349 WeakPolarHBondContact OD2-CG 3.14Å; D346-Q349 PolarHBondContact OD2-NE2 2.83Å; D346-L350 WeakPolarHBondContact O-CB 3.12Å; D346-L350 VanDerWaalsContact O-CG 3.25Å; D346-L350 WeakPolarHBondContact O-CG 3.26Å; D346-L350 PolarHBondContact O-N 3.17Å
347	F	83.6	Confident	85.3	Confident	23 Å²	23	44.7 Å²	44.7	10%	0.101	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-41.3	-179.1	173.3	-98.9	0	0	0	113	E291 M295 M345 T351 L507 L514 F519	E291-F347 HydrophobicContact CB-CB 3.9Å; E291-F347 HydrophobicContact CB-CD2 4.28Å; E291-F347 HydrophobicContact CB-CG 4.02Å; E291-F347 HydrophobicContact CG-CB 4.47Å; E291-F347 HydrophobicContact CG-CD1 4.47Å; E291-F347 HydrophobicContact CG-CG 4.3Å; E291-F347 VanDerWaalsContact OE2-CB 3.22Å; E291-F347 WeakPolarHBondContact OE2-CB 3.46Å; E291-F347 WeakPolarHBondContact OE2-CD1 3.28Å; M295-F347 HydrophobicContact CE-CB 3.86Å; M295-F347 HydrophobicContact CE-CD2 4.36Å; M295-F347 HydrophobicContact CG-CD2 4.42Å; M295-F347 HydrophobicContact SD-CB 4.45Å; M295-F347 HydrophobicContact SD-CD2 4.05Å; M345-F347 PolarHBondContact O-N 3.37Å; F347-T351 WeakPolarHBondContact CZ-OG1 3.44Å; F347-T351 VanDerWaalsContact O-CB 3.23Å; F347-T351 WeakPolarHBondContact O-CB 3.38Å; F347-T351 PolarHBondContact O-N 3.22Å; F347-T351 PolarHBondContact O-OG1 3.41Å; F347-L507 HydrophobicContact CD2-CD2 3.78Å; F347-L507 HydrophobicContact CE2-CD2 3.4Å; F347-L507 HydrophobicContact CZ-CD2 4.39Å; F347-L514 HydrophobicContact CE1-CD1 4.25Å; F347-L514 HydrophobicContact CZ-CD1 3.59Å; F347-F519 HydrophobicContact CD2-CD1 4.24Å; F347-F519 HydrophobicContact CD2-CE1 4.24Å; F347-F519 HydrophobicContact CD2-CG 4.49Å; F347-F519 HydrophobicContact CD2-CZ 4.43Å; F347-F519 AromaticContact CE2-CD1 3.98Å; F347-F519 HydrophobicContact CE2-CD1 3.98Å; F347-F519 AromaticContact CE2-CD2 3.68Å; F347-F519 HydrophobicContact CE2-CD2 3.68Å; F347-F519 HydrophobicContact CE2-CE1 4Å; F347-F519 AromaticContact CE2-CE2 3.66Å; F347-F519 HydrophobicContact CE2-CE2 3.66Å; F347-F519 AromaticContact CE2-CG 3.84Å; F347-F519 HydrophobicContact CE2-CG 3.84Å; F347-F519 AromaticContact CE2-CZ 3.84Å; F347-F519 HydrophobicContact CE2-CZ 3.84Å; F347-F519 HydrophobicContact CZ-CD2 4.06Å; F347-F519 HydrophobicContact CZ-CE2 4.34Å; F347-F519 HydrophobicContact CZ-CG 4.35Å
348	A	83	Confident	84.6	Confident	65 Å²	65	46.4 Å²	46.4	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-70.2	-40.7	-178.5	0	0	0	0	0	111.4	D346 S352	D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.99Å; D346-A348 WeakPolarHBondContact OD1-CA 3.46Å; D346-A348 WeakPolarHBondContact OD1-CB 3.25Å; D346-A348 PolarHBondContact OD1-N 3.3Å; A348-S352 WeakPolarHBondContact O-CB 3.38Å; A348-S352 PolarHBondContact O-N 3.04Å
349	Q	86	Confident	83.8	Confident	100 Å²	100	51.5 Å²	51.5	47%	0.467	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-48.2	173.8	-70.3	179.9	45.4	0	0	111.7	D346 S352 L353	D346-Q349 HydrophobicContact CB-CB 3.94Å; D346-Q349 HydrophobicContact CB-CG 3.95Å; D346-Q349 VanDerWaalsContact CG-CG 3.43Å; D346-Q349 VanDerWaalsContact CG-NE2 3.32Å; D346-Q349 PolarHBondContact O-N 3.27Å; D346-Q349 PolarHBondContact OD1-N 3.38Å; D346-Q349 WeakPolarHBondContact OD2-CG 3.14Å; D346-Q349 PolarHBondContact OD2-NE2 2.83Å; Q349-S352 WeakPolarHBondContact O-CB 3.41Å; Q349-S352 PolarHBondContact O-N 2.99Å; Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 PolarHBondContact O-N 3.46Å
350	L	86.9	Confident	82.9	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-41.7	-179.6	-68.1	172.9	0	0	0	111.7	M295 M345 D346 L353 C354 V450 L507	M295-L350 HydrophobicContact CE-CD1 4.39Å; M295-L350 HydrophobicContact SD-CD1 3.83Å; M345-L350 HydrophobicContact CB-CD1 4.32Å; M345-L350 HydrophobicContact CE-CD1 4Å; D346-L350 WeakPolarHBondContact O-CB 3.12Å; D346-L350 VanDerWaalsContact O-CG 3.25Å; D346-L350 WeakPolarHBondContact O-CG 3.26Å; D346-L350 PolarHBondContact O-N 3.17Å; L350-L353 PolarHBondContact O-N 2.91Å; L350-C354 PolarHBondContact O-N 2.85Å; L350-C354 PolarHBondContact O-SG 3.3Å; L350-V450 HydrophobicContact CD2-CB 4.41Å; L350-V450 HydrophobicContact CD2-CG1 3.88Å; L350-V450 HydrophobicContact CD2-CG2 4.09Å; L350-L507 HydrophobicContact CB-CD1 3.72Å
351	T	85.3	Confident	81.8	Confident	11 Å²	11	52.8 Å²	52.8	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-44.9	173.5	-61	0	0	0	0	111.6	F347 L353 C354 C355 N511	F347-T351 WeakPolarHBondContact CZ-OG1 3.44Å; F347-T351 VanDerWaalsContact O-CB 3.23Å; F347-T351 WeakPolarHBondContact O-CB 3.38Å; F347-T351 PolarHBondContact O-N 3.22Å; F347-T351 PolarHBondContact O-OG1 3.41Å; T351-L353 VanDerWaalsContact C-N 3.31Å; T351-L353 PolarHBondContact O-N 3.36Å; T351-C354 PolarHBondContact O-N 3.16Å; T351-C355 WeakPolarHBondContact O-CB 3.34Å; T351-C355 PolarHBondContact O-N 2.82Å; T351-C355 PolarHBondContact O-SG 3.03Å; T351-N511 HydrophobicContact CG2-CB 3.99Å
352	S	85.6	Confident	80.7	Confident	49 Å²	49	56.5 Å²	56.5	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-41.7	175.6	-171.7	0	0	0	0	111.9	A348 Q349 K356	A348-S352 WeakPolarHBondContact O-CB 3.38Å; A348-S352 PolarHBondContact O-N 3.04Å; Q349-S352 WeakPolarHBondContact O-CB 3.41Å; Q349-S352 PolarHBondContact O-N 2.99Å; S352-K356 WeakPolarHBondContact O-CD 3.49Å; S352-K356 VanDerWaalsContact O-CG 3.25Å; S352-K356 WeakPolarHBondContact O-CG 3.31Å; S352-K356 PolarHBondContact O-N 3.12Å; S352-K356 VanDerWaalsContact O-N 3.08Å; S352-K356 WeakPolarHBondContact OG-CE 3.12Å; S352-K356 PolarHBondContact OG-NZ 3.39Å
353	L	86.7	Confident	79.6	Confident	35 Å²	35	56.9 Å²	56.9	18%	0.183	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-52	178	-169.3	64.1	0	0	0	111.4	Q349 L350 T351 C355 K356 F357 A449 V450 N453	Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 PolarHBondContact O-N 3.46Å; L350-L353 PolarHBondContact O-N 2.91Å; T351-L353 VanDerWaalsContact C-N 3.31Å; T351-L353 PolarHBondContact O-N 3.36Å; L353-C355 VanDerWaalsContact C-N 3.29Å; L353-C355 PolarHBondContact O-N 3.4Å; L353-K356 PolarHBondContact O-N 2.94Å; L353-K356 VanDerWaalsContact O-N 3.13Å; L353-F357 HydrophobicContact CD1-CD2 4.27Å; L353-F357 HydrophobicContact CD1-CE2 3.86Å; L353-F357 HydrophobicContact CG-CD2 4.38Å; L353-F357 HydrophobicContact CG-CE2 4.28Å; L353-F357 WeakPolarHBondContact O-CD2 3.36Å; L353-F357 PolarHBondContact O-N 2.91Å; L353-A449 HydrophobicContact CD1-CB 4.39Å; L353-A449 HydrophobicContact CD2-CB 4.16Å; L353-A449 HydrophobicContact CG-CB 4.47Å; L353-V450 HydrophobicContact CD2-CG2 3.93Å; L353-N453 HydrophobicContact CD2-CB 4.31Å
354	C	85.1	Confident	78.5	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-40.5	178.1	-62.3	0	0	0	0	112	L350 T351 R358 L507	L350-C354 PolarHBondContact O-N 2.85Å; L350-C354 PolarHBondContact O-SG 3.3Å; T351-C354 PolarHBondContact O-N 3.16Å; C354-R358 PolarHBondContact O-N 3.03Å; C354-L507 HydrophobicContact CB-CB 4.3Å
355	C	82.9	Confident	77.1	Confident	13 Å²	13	62.2 Å²	62.2	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.6	-71	0	0	0	0	112.8	T351 L353 Q359 N511	T351-C355 WeakPolarHBondContact O-CB 3.34Å; T351-C355 PolarHBondContact O-N 2.82Å; T351-C355 PolarHBondContact O-SG 3.03Å; L353-C355 VanDerWaalsContact C-N 3.29Å; L353-C355 PolarHBondContact O-N 3.4Å; C355-Q359 WeakPolarHBondContact O-CB 3.25Å; C355-Q359 VanDerWaalsContact O-CG 3.28Å; C355-Q359 WeakPolarHBondContact O-CG 3.36Å; C355-Q359 PolarHBondContact O-N 3.43Å; C355-N511 PolarHBondContact SG-ND2 3.37Å
356	K	84.3	Confident	75.8	Confident	121 Å²	121	69.3 Å²	69.3	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-50	179.4	-74.6	159	-178	158.5	0	111.8	S352 L353 R358 Q359 V360	S352-K356 WeakPolarHBondContact O-CD 3.49Å; S352-K356 VanDerWaalsContact O-CG 3.25Å; S352-K356 WeakPolarHBondContact O-CG 3.31Å; S352-K356 PolarHBondContact O-N 3.12Å; S352-K356 VanDerWaalsContact O-N 3.08Å; S352-K356 WeakPolarHBondContact OG-CE 3.12Å; S352-K356 PolarHBondContact OG-NZ 3.39Å; L353-K356 PolarHBondContact O-N 2.94Å; L353-K356 VanDerWaalsContact O-N 3.13Å; K356-R358 PolarHBondContact O-N 2.87Å; K356-Q359 PolarHBondContact O-N 3Å; K356-V360 PolarHBondContact O-N 2.96Å
357	F	80.1	Confident	74.4	Confident	60 Å²	60	73 Å²	73	26%	0.263	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-48.3	-179.1	-87	-90.3	0	0	0	112.3	L353 Q359 V360 D361 S444 C446 A449	L353-F357 HydrophobicContact CD1-CD2 4.27Å; L353-F357 HydrophobicContact CD1-CE2 3.86Å; L353-F357 HydrophobicContact CG-CD2 4.38Å; L353-F357 HydrophobicContact CG-CE2 4.28Å; L353-F357 WeakPolarHBondContact O-CD2 3.36Å; L353-F357 PolarHBondContact O-N 2.91Å; F357-Q359 PolarHBondContact O-N 3.36Å; F357-V360 WeakPolarHBondContact O-CB 3.25Å; F357-V360 PolarHBondContact O-N 3.3Å; F357-D361 PolarHBondContact O-N 3.29Å; F357-S444 WeakPolarHBondContact CD1-O 3.37Å; F357-S444 WeakPolarHBondContact CE1-O 3.25Å; F357-C446 HydrophobicContact CB-CB 4Å; F357-C446 HydrophobicContact CD1-CB 4.29Å; F357-C446 HydrophobicContact CD2-CB 4.45Å; F357-C446 HydrophobicContact CG-CB 3.99Å; F357-A449 HydrophobicContact CD2-CB 4.47Å; F357-A449 HydrophobicContact CE2-CB 3.43Å; F357-A449 VanDerWaalsContact CE2-CB 3.43Å; F357-A449 HydrophobicContact CZ-CB 3.48Å; F357-A449 VanDerWaalsContact CZ-CB 3.48Å
358	R	73.7	Confident	72.7	Confident	35 Å²	35	76.4 Å²	76.4	13%	0.132	37%	0.374	C	S	.	.	H	α-helix	trans	-73.1	-23.7	179.5	-85.2	-176.3	160.3	159.5	2.7	114.9	C354 K356 K362 E443 D505 Y508	C354-R358 PolarHBondContact O-N 3.03Å; K356-R358 PolarHBondContact O-N 2.87Å; R358-K362 PolarHBondContact O-N 3.1Å; R358-K362 VanDerWaalsContact O-N 3.14Å; R358-E443 IonicContact CZ-OE2 3.65Å; R358-E443 IonicContact NE-OE2 3.52Å; R358-E443 PolarHBondContact NE-OE2 3.05Å; R358-E443 IonicContact NH2-OE2 2.78Å; R358-E443 PolarHBondContact NH2-OE2 3.42Å; R358-D505 IonicContact CZ-OD1 2.73Å; R358-D505 IonicContact NH1-OD1 2.93Å; R358-D505 PolarHBondContact NH1-OD1 2.81Å; R358-D505 IonicContact NH2-OD1 3.69Å; R358-D505 PolarHBondContact NH2-OD1 3.46Å; R358-Y508 HydrophobicContact CB-CD2 3.69Å; R358-Y508 HydrophobicContact CB-CE2 3.32Å; R358-Y508 HydrophobicContact CB-CG 4.44Å; R358-Y508 VanDerWaalsContact CD-CG 3.45Å; R358-Y508 HydrophobicContact CG-CD2 4.18Å; R358-Y508 HydrophobicContact CG-CE2 4.2Å
359	Q	72.2	Confident	71.2	Confident	109 Å²	109	81 Å²	81	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-39.1	170.5	-78	-180	27.5	0	0	111.9	C355 K356 F357 D361 K362 Q363	C355-Q359 WeakPolarHBondContact O-CB 3.25Å; C355-Q359 VanDerWaalsContact O-CG 3.28Å; C355-Q359 WeakPolarHBondContact O-CG 3.36Å; C355-Q359 PolarHBondContact O-N 3.43Å; K356-Q359 PolarHBondContact O-N 3Å; F357-Q359 PolarHBondContact O-N 3.36Å; Q359-D361 VanDerWaalsContact C-N 3.28Å; Q359-D361 PolarHBondContact O-N 3.21Å; Q359-K362 PolarHBondContact O-N 3.3Å; Q359-Q363 WeakPolarHBondContact O-CG 3.4Å; Q359-Q363 PolarHBondContact O-N 2.87Å
360	V	65.4	Low	69.6	Low	67 Å²	67	87.3 Å²	87.3	41%	0.406	41%	0.406	S	S	.	.	H	α-helix	trans	-58.9	-39.5	175.8	170.9	0	0	0	0	111.2	K356 F357 Q363 K364	K356-V360 PolarHBondContact O-N 2.96Å; F357-V360 WeakPolarHBondContact O-CB 3.25Å; F357-V360 PolarHBondContact O-N 3.3Å; V360-Q363 WeakPolarHBondContact O-CB 3.5Å; V360-Q363 PolarHBondContact O-N 3.42Å; V360-K364 HydrophobicContact CG1-CD 4.34Å; V360-K364 WeakPolarHBondContact O-CG 3.49Å; V360-K364 PolarHBondContact O-N 2.92Å
361	D	60.8	Low	67.8	Low	21 Å²	21	95.5 Å²	95.5	11%	0.112	44%	0.441	C	S	.	.	H	α-helix	trans	-75.7	-34.3	178.3	-64.3	-31.1	0	0	0	113.4	F357 Q359 Q363 K364 R365 S444	F357-D361 PolarHBondContact O-N 3.29Å; Q359-D361 VanDerWaalsContact C-N 3.28Å; Q359-D361 PolarHBondContact O-N 3.21Å; D361-Q363 PolarHBondContact O-N 3.38Å; D361-K364 PolarHBondContact O-N 3.11Å; D361-K364 IonicContact OD1-NZ 3.37Å; D361-K364 PolarHBondContact OD1-NZ 2.63Å; D361-R365 WeakPolarHBondContact O-CG 3.36Å; D361-R365 PolarHBondContact O-N 3.44Å; D361-S444 VanDerWaalsContact CG-OG 3.26Å; D361-S444 PolarHBondContact OD1-OG 2.86Å; D361-S444 WeakPolarHBondContact OD2-CB 3.42Å; D361-S444 PolarHBondContact OD2-OG 2.85Å
362	K	63.8	Low	65.5	Low	105 Å²	105	98 Å²	98	46%	0.457	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-35.4	167.7	-77.8	179.4	172	175.8	0	111.3	R358 Q359 K366 Y508	R358-K362 PolarHBondContact O-N 3.1Å; R358-K362 VanDerWaalsContact O-N 3.14Å; Q359-K362 PolarHBondContact O-N 3.3Å; K362-K366 WeakPolarHBondContact O-CG 3.33Å; K362-K366 PolarHBondContact O-N 3.27Å; K362-Y508 WeakPolarHBondContact CE-OH 3.46Å; K362-Y508 PolarHBondContact NZ-OH 2.98Å
363	Q	62.3	Low	63.2	Low	132 Å²	132	102.2 Å²	102.2	62%	0.617	49%	0.493	S	S	*	.	H	α-helix	trans	-70.9	-50	173.8	-72.1	-178.7	-3	0	0	112.8	Q359 V360 D361 R365 K366 Q367	Q359-Q363 WeakPolarHBondContact O-CG 3.4Å; Q359-Q363 PolarHBondContact O-N 2.87Å; V360-Q363 WeakPolarHBondContact O-CB 3.5Å; V360-Q363 PolarHBondContact O-N 3.42Å; D361-Q363 PolarHBondContact O-N 3.38Å; Q363-R365 VanDerWaalsContact C-N 3.32Å; Q363-R365 PolarHBondContact O-N 3.49Å; Q363-K366 PolarHBondContact O-N 3.16Å; Q363-K366 VanDerWaalsContact O-N 3.11Å; Q363-Q367 PolarHBondContact O-N 3.27Å
364	K	61.8	Low	60.7	Low	112 Å²	112	105.5 Å²	105.5	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-55	-45	177.5	-71.8	170	-170.3	154.2	0	112.2	V360 D361 K366 Q367 C368	V360-K364 HydrophobicContact CG1-CD 4.34Å; V360-K364 WeakPolarHBondContact O-CG 3.49Å; V360-K364 PolarHBondContact O-N 2.92Å; D361-K364 PolarHBondContact O-N 3.11Å; D361-K364 IonicContact OD1-NZ 3.37Å; D361-K364 PolarHBondContact OD1-NZ 2.63Å; K364-K366 PolarHBondContact O-N 2.96Å; K364-Q367 PolarHBondContact O-N 3.24Å; K364-C368 WeakPolarHBondContact O-CB 3.4Å; K364-C368 PolarHBondContact O-N 3.43Å
365	R	58.1	Low	58.4	Low	174 Å²	174	110.5 Å²	110.5	66%	0.657	55%	0.553	S	S	*	*	H	α-helix	trans	-61.1	-43.8	177	-69.7	-178.7	-169.5	-170.2	7.1	111.7	D361 Q363 C368 M369	D361-R365 WeakPolarHBondContact O-CG 3.36Å; D361-R365 PolarHBondContact O-N 3.44Å; Q363-R365 VanDerWaalsContact C-N 3.32Å; Q363-R365 PolarHBondContact O-N 3.49Å; R365-C368 PolarHBondContact O-N 2.83Å; R365-M369 WeakPolarHBondContact O-CG 3.4Å; R365-M369 PolarHBondContact O-N 2.98Å; R365-M369 VanDerWaalsContact O-N 3.1Å
366	K	59.3	Low	56.1	Low	156 Å²	156	118.3 Å²	118.3	68%	0.678	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-38	175.3	-75.6	-178	175.9	-172	0	113.1	K362 Q363 K364 R370	K362-K366 WeakPolarHBondContact O-CG 3.33Å; K362-K366 PolarHBondContact O-N 3.27Å; Q363-K366 PolarHBondContact O-N 3.16Å; Q363-K366 VanDerWaalsContact O-N 3.11Å; K364-K366 PolarHBondContact O-N 2.96Å; K366-R370 PolarHBondContact O-N 2.82Å; K366-R370 VanDerWaalsContact O-N 3.1Å
367	Q	56.6	Low	53.9	Low	141 Å²	141	117.3 Å²	117.3	66%	0.659	60%	0.602	S	S	*	*	H	α-helix	trans	-70.7	-34.4	178.3	-164.9	178.1	29.1	0	0	112.2	Q363 K364 R370	Q363-Q367 PolarHBondContact O-N 3.27Å; K364-Q367 PolarHBondContact O-N 3.24Å; Q367-R370 PolarHBondContact O-N 3.02Å
368	C	47.6	Very low	51.9	Low	96 Å²	96	125.8 Å²	125.8	65%	0.649	63%	0.632	S	S	*	*	H	α-helix	trans	-66.1	-48.1	173.9	-165.7	0	0	0	0	111.3	K364 R365 R370 K371	K364-C368 WeakPolarHBondContact O-CB 3.4Å; K364-C368 PolarHBondContact O-N 3.43Å; R365-C368 PolarHBondContact O-N 2.83Å; C368-R370 VanDerWaalsContact C-N 3.28Å; C368-R370 PolarHBondContact O-N 2.97Å; C368-K371 PolarHBondContact O-N 3.18Å
369	M	50.7	Low	50.1	Low	161 Å²	161	133 Å²	133	79%	0.793	66%	0.664	S	S	*	*	H	α-helix	trans	-59.3	-36.3	175.6	-68.7	-63.6	-177.3	0	0	112.8	R365 K371 G372	R365-M369 WeakPolarHBondContact O-CG 3.4Å; R365-M369 PolarHBondContact O-N 2.98Å; R365-M369 VanDerWaalsContact O-N 3.1Å; M369-K371 PolarHBondContact O-N 3.47Å; M369-G372 PolarHBondContact O-N 3.39Å
370	R	52.6	Low	48.2	Very low	232 Å²	232	133.7 Å²	133.7	88%	0.875	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	3.7	175.2	-78.5	-172.3	170.9	-171.9	-3.9	115.5	K366 Q367 C368	K366-R370 PolarHBondContact O-N 2.82Å; K366-R370 VanDerWaalsContact O-N 3.1Å; Q367-R370 PolarHBondContact O-N 3.02Å; C368-R370 VanDerWaalsContact C-N 3.28Å; C368-R370 PolarHBondContact O-N 2.97Å
371	K	49.9	Very low	46.9	Very low	173 Å²	173	138.3 Å²	138.3	75%	0.752	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	2.7	168.7	-74.7	-164.4	169.8	-167.3	0	113.7	C368 M369 T373	C368-K371 PolarHBondContact O-N 3.18Å; M369-K371 PolarHBondContact O-N 3.47Å; K371-T373 VanDerWaalsContact C-N 3.33Å; K371-T373 PolarHBondContact O-N 2.67Å; K371-T373 VanDerWaalsContact O-N 3.1Å
372	G	36.8	Very low	45.8	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	56	-178.7	0	0	0	0	0	114.5	M369	M369-G372 PolarHBondContact O-N 3.39Å
373	T	35.5	Very low	44.4	Very low	138 Å²	138	144 Å²	144	85%	0.847	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.7	16	175.5	-26.6	0	0	0	0	114.9	K371	K371-T373 VanDerWaalsContact C-N 3.33Å; K371-T373 PolarHBondContact O-N 2.67Å; K371-T373 VanDerWaalsContact O-N 3.1Å
374	S	35.4	Very low	43.1	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	75%	0.746	S	S	*	*			trans	-161.3	151.1	157.5	63.6	0	0	0	0	108.9
375	C	35.5	Very low	41.9	Very low	107 Å²	107	146 Å²	146	72%	0.723	76%	0.761	S	S	*	*			cis	-125.5	142.1	4.5	-58.1	0	0	0	0	111.4
376	N	34.9	Very low	40.8	Very low	178 Å²	178	146.4 Å²	146.4	95%	0.952	77%	0.77	S	S	*	*			trans	-98.9	91.8	166.5	-92.8	-15.8	0	0	0	110.6
377	S	39.5	Very low	39.7	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	78%	0.777	S	S	*	*			trans	-161.3	116.6	166.5	38.7	0	0	0	0	114.4
378	R	36.7	Very low	38.4	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.898	78%	0.779	S	S	*	*				27.7	123.9	125.7	-72.5	176	178.2	179.6	-0.5	116.7
379	K	36.7	Very low	37.9	Very low	187 Å²	187	147.7 Å²	147.7	81%	0.813	79%	0.788	S	S	*	*			cis	-150.3	158.7	16.5	-72.5	167.9	176.2	172.7	0	110.9
380	P	31.9	Very low	37.2	Very low	123 Å²	123	146 Å²	146	80%	0.799	79%	0.787	S	S	*	*			trans	-82.6	150	160.3	35.6	-33.1	0	0	0	111.6
381	L	38.4	Very low	36.1	Very low	165 Å²	165	142.6 Å²	142.6	86%	0.864	79%	0.785	S	S	*	*			trans	-161.2	166.7	157.6	-112.5	161	0	0	0	109.5
382	T	36.9	Very low	35.4	Very low	123 Å²	123	142.7 Å²	142.7	76%	0.755	79%	0.789	S	S	*	*			trans	-121.7	155.3	-148.4	47.5	0	0	0	0	115.9
383	D	35.5	Very low	35.3	Very low	121 Å²	121	145.1 Å²	145.1	65%	0.647	79%	0.791	S	S	*	*			trans	98.3	154.6	139	-132.9	0.8	0	0	0	121
384	K	35.5	Very low	35.3	Very low	171 Å²	171	142.9 Å²	142.9	74%	0.743	79%	0.786	S	S	*	*			trans	-22.3	138.7	-175.3	-56.8	125.8	-168.1	154.9	0	119.7
385	S	34.8	Very low	35.3	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	80%	0.796	S	S	*	*				-158.1	167.6	103.6	75.4	0	0	0	0	112.5
386	Q	35.1	Very low	35.2	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	80%	0.799	S	S	*	*			trans	-93.9	148.9	176.2	-62.5	163.8	-24	0	0	110.5
387	V	37	Very low	35.2	Very low	136 Å²	136	148.4 Å²	148.4	82%	0.824	80%	0.798	S	S	*	*			trans	-137	136.5	153.4	-179	0	0	0	0	108.8
388	T	29.6	Very low	34.9	Very low	114 Å²	114	152.5 Å²	152.5	70%	0.699	81%	0.806	S	S	*	*			trans	-138.2	118.2	174.9	-60.9	0	0	0	0	109.1
389	M	37.8	Very low	34.9	Very low	170 Å²	170	146.4 Å²	146.4	84%	0.837	80%	0.797	S	S	*	*			trans	-144.7	115.1	158.4	-70.7	-60.5	171.5	0	0	105.1
390	T	34.5	Very low	34.7	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	80%	0.798	S	S	*	*				77.4	133.3	62.8	-52	0	0	0	0	111.7
391	L	30.1	Very low	34.8	Very low	159 Å²	159	140.3 Å²	140.3	83%	0.832	79%	0.792	S	S	*	*			trans	-115.5	136.7	-164.9	169.3	92.9	0	0	0	109.5
392	E	36	Very low	34.4	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.822	79%	0.792	S	S	*	*			trans	-159.6	149.2	152.2	-122.9	-179.1	-129.7	0	0	118.3
393	T	34.5	Very low	34.6	Very low	114 Å²	114	139.2 Å²	139.2	70%	0.699	80%	0.797	S	S	*	*			trans	41	86.8	147.9	42.4	0	0	0	0	124.2
394	A	35.7	Very low	34.5	Very low	90 Å²	90	143 Å²	143	74%	0.744	81%	0.808	S	S	*	*				32.6	130.7	117.1	0	0	0	0	0	123.5
395	K	35.5	Very low	34.7	Very low	216 Å²	216	140 Å²	140	94%	0.939	81%	0.806	S	S	*	*				-178.6	134.7	120.2	-101.5	163.8	-174.5	173.6	0	114.9
396	G	33.3	Very low	34.7	Very low	75 Å²	75	140 Å²	140	77%	0.773	80%	0.801	S	S	*	*			trans	102.9	114.4	133.9	0	0	0	0	0	122.3
397	K	34.4	Very low	34.8	Very low	215 Å²	215	137.9 Å²	137.9	94%	0.935	80%	0.8	S	S	*	*			trans	66.7	109.1	143.1	-64	-174.2	175.9	-178.2	0	122.4
398	Q	33.1	Very low	34.7	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	80%	0.798	S	S	*	*			trans	-77	-176.3	143.2	-106.3	-174.7	-14.8	0	0	110.8
399	P	36.5	Very low	34.9	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	81%	0.805	S	S	*	*			cis	-141	175.9	17.4	43.2	-24.1	0	0	0	118.6
400	A	31.7	Very low	34.8	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	80%	0.795	S	S	*	*			trans	31.9	161.7	141.7	0	0	0	0	0	123.2
401	A	34.3	Very low	34.8	Very low	82 Å²	82	135.9 Å²	135.9	68%	0.678	80%	0.796	S	S	*	*			cis	-158.6	165.6	12.2	0	0	0	0	0	114.8
402	N	31.1	Very low	35.2	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	80%	0.797	S	S	*	*			trans	55.6	116.5	147.4	-67.3	-14.6	0	0	0	124
403	A	40.4	Very low	34.9	Very low	104 Å²	104	131.5 Å²	131.5	86%	0.86	79%	0.793	S	S	*	*			trans	-149.4	157	135.8	0	0	0	0	0	110.2
404	K	33.8	Very low	34.8	Very low	201 Å²	201	135.7 Å²	135.7	87%	0.874	80%	0.801	S	S	*	*			trans	-169	172.1	-169.2	-114.9	-168	176.1	-179.1	0	110.1
405	P	40.5	Very low	34.4	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	80%	0.8	S	S	*	*			cis	-123.7	-153.7	-49	39	-21.5	0	0	0	110.1
406	T	33.8	Very low	34.3	Very low	116 Å²	116	135.1 Å²	135.1	71%	0.712	80%	0.797	S	S	*	*				156.1	119.2	129	-68.9	0	0	0	0	115.1
407	V	37.3	Very low	34.1	Very low	137 Å²	137	139.9 Å²	139.9	83%	0.83	80%	0.799	S	S	*	*			trans	64.6	147.6	155.8	174.4	0	0	0	0	117.9
408	S	35.9	Very low	33.7	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	79%	0.793	S	S	*	*			cis	-132.8	174	6.7	29.7	0	0	0	0	113.9
409	C	32.3	Very low	33.6	Very low	124 Å²	124	130.9 Å²	130.9	84%	0.838	79%	0.785	S	S	*	*			trans	-109.3	-172.3	-179.2	-120.6	0	0	0	0	111
410	P	35.6	Very low	33.3	Very low	96 Å²	96	135.8 Å²	135.8	62%	0.623	80%	0.795	S	S	*	*			cis	-140.1	175.7	21.2	43.8	-24.4	0	0	0	119
411	E	34.8	Very low	33.4	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	79%	0.789	S	S	*	*			trans	59.2	132.7	150.3	-74.8	150.3	-128.8	0	0	121.3
412	T	38.6	Very low	33.8	Very low	138 Å²	138	145.1 Å²	145.1	85%	0.847	80%	0.798	S	S	*	*			cis	-124.6	152.9	10	44.9	0	0	0	0	112.8
413	S	30.6	Very low	34.6	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	78%	0.783	S	S	*	*			trans	-106.7	164.7	-175.9	71.3	0	0	0	0	111.3
414	K	32.4	Very low	35.7	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	78%	0.78	S	S	*	*				-145.9	142.1	59.1	-72.1	174	178.5	175.1	0	113.8
415	C	26.8	Very low	37.9	Very low	105 Å²	105	138.8 Å²	138.8	71%	0.709	76%	0.762	S	S	*	*			trans	-85.9	139.3	169.1	-65.3	0	0	0	0	112.5	Q417	C415-Q417 HydrophobicContact CB-CG 4.47Å
416	Q	33.5	Very low	40.2	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	74%	0.738	S	S	*	*			trans	-146.5	98.6	140.3	-70.8	-170.2	-10.2	0	0	104.6
417	Q	29.1	Very low	42.8	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	73%	0.725	S	S	*	*			cis	44.6	110.1	48.6	-82.6	-163.1	-0.7	0	0	113.8	C415	C415-Q417 HydrophobicContact CB-CG 4.47Å
418	G	26.5	Very low	45.3	Very low	79 Å²	79	129.3 Å²	129.3	81%	0.814	69%	0.694	S	S	*	*				117.3	-15.2	120.6	0	0	0	0	0	119.1
419	L	29.5	Very low	48	Very low	131 Å²	131	129.8 Å²	129.8	69%	0.686	68%	0.683	S	S	*	*			trans	-105.5	87.8	-177.4	-76.2	166	0	0	0	112.9	Y421	L419-Y421 HydrophobicContact CB-CD2 4Å; L419-Y421 HydrophobicContact CB-CE2 3.92Å; L419-Y421 HydrophobicContact CD1-CE2 4Å; L419-Y421 HydrophobicContact CD2-CE2 3.9Å; L419-Y421 HydrophobicContact CG-CE2 4.15Å; L419-Y421 PolarHBondContact O-N 2.89Å
420	K	31	Very low	50.7	Low	214 Å²	214	125.4 Å²	125.4	93%	0.93	65%	0.651	S	S	*	*			trans	-73.8	63.7	165.9	-76.9	-172.4	177.2	177.4	0	111.3	K422	K420-K422 PolarHBondContact O-N 3.05Å
421	Y	33.1	Very low	53.3	Low	174 Å²	174	126.9 Å²	126.9	68%	0.682	65%	0.65	S	S	*	*			trans	-65.7	114.7	157.4	-67.1	-65.9	0	0	0	108.1	L419 L423	L419-Y421 HydrophobicContact CB-CD2 4Å; L419-Y421 HydrophobicContact CB-CE2 3.92Å; L419-Y421 HydrophobicContact CD1-CE2 4Å; L419-Y421 HydrophobicContact CD2-CE2 3.9Å; L419-Y421 HydrophobicContact CG-CE2 4.15Å; L419-Y421 PolarHBondContact O-N 2.89Å; Y421-L423 PolarHBondContact O-N 3.18Å
422	K	42.5	Very low	55.8	Low	203 Å²	203	118.9 Å²	118.9	88%	0.883	61%	0.613	S	S	*	*			trans	-67.2	83	153.7	-82.5	-174.5	172.4	-175.3	0	106.8	K420 D424	K420-K422 PolarHBondContact O-N 3.05Å; K422-D424 PolarHBondContact O-N 2.82Å
423	L	49.7	Very low	58.2	Low	104 Å²	104	115.1 Å²	115.1	55%	0.545	59%	0.591	S	S	.	*			trans	-61.6	128.1	156	-80.7	152	0	0	0	106.5	Y421 T425	Y421-L423 PolarHBondContact O-N 3.18Å; L423-T425 VanDerWaalsContact C-N 3.33Å; L423-T425 PolarHBondContact O-N 3.05Å
424	D	62.6	Low	60.8	Low	150 Å²	150	112 Å²	112	80%	0.802	57%	0.566	S	S	*	*			trans	-67.2	92.1	179.7	-73.3	-46.8	0	0	0	110.4	K422 V426	K422-D424 PolarHBondContact O-N 2.82Å; D424-V426 PolarHBondContact O-N 2.64Å
425	T	80.6	Confident	63.4	Low	80 Å²	80	107.4 Å²	107.4	49%	0.491	56%	0.559	S	S	.	*			trans	-77.1	114.6	176.3	56.1	0	0	0	0	109.5	L423 A477	L423-T425 VanDerWaalsContact C-N 3.33Å; L423-T425 PolarHBondContact O-N 3.05Å; T425-A477 CarbonylContact C-O 3.58Å; T425-A477 VanDerWaalsContact CA-O 3.26Å; T425-A477 WeakPolarHBondContact CA-O 3.27Å
426	V	87.4	Confident	66.3	Low	31 Å²	31	102.9 Å²	102.9	19%	0.188	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.7	170.1	-168.8	0	0	0	0	108.8	D424 R476 A477 W480 L483	D424-V426 PolarHBondContact O-N 2.64Å; V426-R476 CarbonylContact O-C 3.29Å; V426-R476 WeakPolarHBondContact O-CA 3.29Å; V426-A477 PolarHBondContact N-O 3.37Å; V426-A477 PolarHBondContact O-N 3.22Å; V426-W480 HydrophobicContact CG1-CD2 3.66Å; V426-W480 VanDerWaalsContact CG1-CE2 3.4Å; V426-W480 HydrophobicContact CG1-CE3 3.88Å; V426-W480 HydrophobicContact CG1-CG 4.35Å; V426-W480 HydrophobicContact CG1-CH2 3.68Å; V426-W480 HydrophobicContact CG1-CZ2 3.43Å; V426-W480 VanDerWaalsContact CG1-CZ2 3.43Å; V426-W480 HydrophobicContact CG1-CZ3 3.89Å; V426-W480 HydrophobicContact CG2-CG 4.43Å; V426-L483 HydrophobicContact CB-CD2 3.93Å; V426-L483 HydrophobicContact CG1-CD2 3.42Å; V426-L483 VanDerWaalsContact CG1-CD2 3.42Å
427	Q	89.4	Confident	68.8	Low	95 Å²	95	94.7 Å²	94.7	44%	0.444	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.9	178.8	-177.3	164.4	-10.9	0	0	111.1	L475 R476	Q427-L475 WeakPolarHBondContact CA-O 3.36Å; Q427-R476 HydrophobicContact CB-CG 3.77Å; Q427-R476 HydrophobicContact CG-CG 3.64Å
428	M	90.2	Very high	71.5	Confident	35 Å²	35	88.7 Å²	88.7	17%	0.172	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.6	169.8	178.9	165.9	61.2	0	0	110.6	L430 Y474 L475 L483 Q487	M428-L430 HydrophobicContact CE-CD2 4.28Å; M428-L430 HydrophobicContact CG-CD2 4.4Å; M428-L430 HydrophobicContact SD-CD2 4.26Å; M428-Y474 WeakPolarHBondContact O-CA 3.41Å; M428-L475 HydrophobicContact CE-CD1 4.2Å; M428-L475 PolarHBondContact N-O 2.72Å; M428-L475 PolarHBondContact O-N 3.01Å; M428-L483 HydrophobicContact CB-CD1 4.2Å; M428-L483 HydrophobicContact CB-CD2 3.91Å; M428-L483 HydrophobicContact CB-CG 4.18Å; M428-L483 HydrophobicContact CE-CG 4.21Å; M428-Q487 HydrophobicContact CE-CB 3.56Å; M428-Q487 VanDerWaalsContact CE-CD 3.49Å; M428-Q487 HydrophobicContact CE-CG 3.74Å
429	Q	91	Very high	74.3	Confident	122 Å²	122	89.9 Å²	89.9	57%	0.57	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.1	175.6	-43.7	-164.7	27.2	0	0	108.9	V472 L473 Y474	Q429-V472 HydrophobicContact CB-CG1 3.95Å; Q429-L473 CarbonylContact C-O 3.58Å; Q429-L473 WeakPolarHBondContact CA-O 3.49Å; Q429-Y474 HydrophobicContact CB-CD1 4.49Å; Q429-Y474 HydrophobicContact CG-CD1 3.91Å; Q429-Y474 HydrophobicContact CG-CE1 4.06Å
430	L	89.8	Confident	77.2	Confident	32 Å²	32	83.6 Å²	83.6	17%	0.168	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.9	174.7	-59.3	171.3	0	0	0	108.6	M428 L473 L475 Q487	M428-L430 HydrophobicContact CE-CD2 4.28Å; M428-L430 HydrophobicContact CG-CD2 4.4Å; M428-L430 HydrophobicContact SD-CD2 4.26Å; L430-L473 HydrophobicContact CB-CB 4.36Å; L430-L473 PolarHBondContact N-O 3.38Å; L430-L473 PolarHBondContact O-N 2.87Å; L430-L475 HydrophobicContact CD1-CD1 3.66Å; L430-L475 HydrophobicContact CD1-CG 4.35Å; L430-Q487 HydrophobicContact CD1-CG 4.12Å; L430-Q487 HydrophobicContact CD2-CG 4.19Å
431	E	89.3	Confident	79.8	Confident	128 Å²	128	76.5 Å²	76.5	60%	0.598	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.2	167.1	-67.2	-160.4	147	0	0	110	K470	E431-K470 HydrophobicContact CB-CD 4.37Å; E431-K470 VanDerWaalsContact OE2-CD 3.26Å; E431-K470 WeakPolarHBondContact OE2-CD 3.26Å; E431-K470 WeakPolarHBondContact OE2-CE 3.18Å; E431-K470 IonicContact OE2-NZ 3.75Å; E431-K470 PolarHBondContact OE2-NZ 3.15Å
432	I	89.4	Confident	82.2	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.9	175.5	59.6	167.7	0	0	0	110.8	V437 I440 F461 K470 R471 L473 I494	I432-V437 HydrophobicContact CD1-CG2 3.91Å; I432-I440 HydrophobicContact CD1-CD1 3.62Å; I432-F461 HydrophobicContact CD1-CD1 4.15Å; I432-F461 HydrophobicContact CD1-CE1 3.72Å; I432-K470 CarbonylContact O-C 3.09Å; I432-K470 WeakPolarHBondContact O-CA 3.27Å; I432-R471 VanDerWaalsContact CG1-O 3.3Å; I432-R471 WeakPolarHBondContact CG1-O 3.39Å; I432-R471 PolarHBondContact N-O 3.42Å; I432-R471 PolarHBondContact O-N 2.83Å; I432-L473 HydrophobicContact CD1-CB 4.19Å; I432-L473 HydrophobicContact CD1-CD2 4.48Å; I432-L473 HydrophobicContact CG1-CB 4.35Å; I432-L473 HydrophobicContact CG2-CB 4.46Å; I432-L473 HydrophobicContact CG2-CD2 4.46Å; I432-I494 HydrophobicContact CB-CD1 4.35Å; I432-I494 HydrophobicContact CG2-CD1 3.6Å
433	P	87.9	Confident	83.9	Confident	59 Å²	59	63.9 Å²	63.9	38%	0.383	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	141.4	168.4	-21.6	33.3	0	0	0	110.9	S435 S436	P433-S435 PolarHBondContact O-N 3.14Å; P433-S436 WeakPolarHBondContact O-CB 3.04Å; P433-S436 PolarHBondContact O-N 3.11Å
434	N	85.9	Confident	85.3	Confident	40 Å²	40	61.9 Å²	61.9	21%	0.214	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.9	-29	178.6	-111.2	-19.5	0	0	0	112.2	S436 V437 K468 E469 R471	N434-S436 VanDerWaalsContact C-N 3.27Å; N434-S436 PolarHBondContact O-N 3.46Å; N434-V437 WeakPolarHBondContact O-CB 3.42Å; N434-V437 WeakPolarHBondContact O-CG2 3.21Å; N434-V437 PolarHBondContact O-N 3.47Å; N434-K468 PolarHBondContact ND2-O 2.88Å; N434-E469 WeakPolarHBondContact CB-O 3.47Å; N434-E469 PolarHBondContact N-O 2.92Å; N434-R471 WeakPolarHBondContact OD1-CB 3.46Å; N434-R471 PolarHBondContact OD1-NE 2.94Å
435	S	85.8	Confident	86.4	Confident	105 Å²	105	55.3 Å²	55.3	73%	0.734	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.3	171	51.7	0	0	0	0	113.5	P433 V437	P433-S435 PolarHBondContact O-N 3.14Å; S435-V437 VanDerWaalsContact C-N 3.35Å
436	S	87.7	Confident	86.8	Confident	10 Å²	10	52 Å²	52	7%	0.07	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-78.5	-16.1	178.4	-61.1	0	0	0	0	113.7	P433 N434 G438 K439 I440	P433-S436 WeakPolarHBondContact O-CB 3.04Å; P433-S436 PolarHBondContact O-N 3.11Å; N434-S436 VanDerWaalsContact C-N 3.27Å; N434-S436 PolarHBondContact O-N 3.46Å; S436-G438 PolarHBondContact O-N 2.96Å; S436-K439 WeakPolarHBondContact O-CB 3.5Å; S436-K439 PolarHBondContact O-N 3.01Å; S436-I440 PolarHBondContact O-N 3.25Å
437	V	87.4	Confident	86.9	Confident	17 Å²	17	50.8 Å²	50.8	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-57.6	-38.2	-179.7	175.2	0	0	0	0	111.3	I432 N434 S435 K439 I440 M441 F461	I432-V437 HydrophobicContact CD1-CG2 3.91Å; N434-V437 WeakPolarHBondContact O-CB 3.42Å; N434-V437 WeakPolarHBondContact O-CG2 3.21Å; N434-V437 PolarHBondContact O-N 3.47Å; S435-V437 VanDerWaalsContact C-N 3.35Å; V437-K439 VanDerWaalsContact C-N 3.33Å; V437-K439 PolarHBondContact O-N 3.31Å; V437-I440 PolarHBondContact O-N 3.26Å; V437-M441 WeakPolarHBondContact O-CB 3.32Å; V437-M441 PolarHBondContact O-N 3.43Å; V437-F461 HydrophobicContact CB-CE1 4.32Å; V437-F461 HydrophobicContact CG1-CD1 4.02Å; V437-F461 HydrophobicContact CG1-CE1 3.83Å; V437-F461 HydrophobicContact CG2-CD1 4.23Å; V437-F461 HydrophobicContact CG2-CE1 4.17Å
438	G	85	Confident	86.9	Confident	50 Å²	50	46.7 Å²	46.7	52%	0.515	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-36.4	177.1	0	0	0	0	0	113.6	S436 I440 G442	S436-G438 PolarHBondContact O-N 2.96Å; G438-I440 VanDerWaalsContact C-N 3.32Å; G438-I440 PolarHBondContact O-N 3.18Å; G438-G442 WeakPolarHBondContact O-CA 3.05Å; G438-G442 PolarHBondContact O-N 3.2Å
439	K	85.9	Confident	86.9	Confident	103 Å²	103	45.6 Å²	45.6	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-33.5	177.8	-59.9	-171.7	-179.6	-171.4	0	112.8	S436 V437 I447 T493 I494	S436-K439 WeakPolarHBondContact O-CB 3.5Å; S436-K439 PolarHBondContact O-N 3.01Å; V437-K439 VanDerWaalsContact C-N 3.33Å; V437-K439 PolarHBondContact O-N 3.31Å; K439-I447 WeakPolarHBondContact O-CD1 3.25Å; K439-T493 HydrophobicContact CB-CG2 4.38Å; K439-I494 PolarHBondContact NZ-O 3.09Å
440	I	89.2	Confident	86.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-92.3	-35.9	-174.7	-50.6	162.5	0	0	0	111	I432 S436 V437 G438 I447 A448 I451 F461 L473 V490 I494	I432-I440 HydrophobicContact CD1-CD1 3.62Å; S436-I440 PolarHBondContact O-N 3.25Å; V437-I440 PolarHBondContact O-N 3.26Å; G438-I440 VanDerWaalsContact C-N 3.32Å; G438-I440 PolarHBondContact O-N 3.18Å; I440-I447 CarbonylContact O-C 3.53Å; I440-I447 WeakPolarHBondContact O-CB 3.33Å; I440-I447 WeakPolarHBondContact O-CG2 3.24Å; I440-A448 WeakPolarHBondContact O-CA 3.45Å; I440-A448 PolarHBondContact O-N 3.3Å; I440-I451 HydrophobicContact CG2-CD1 4.31Å; I440-F461 HydrophobicContact CB-CZ 3.95Å; I440-F461 HydrophobicContact CD1-CE1 4.43Å; I440-F461 HydrophobicContact CG2-CZ 3.79Å; I440-L473 HydrophobicContact CD1-CD2 4.33Å; I440-V490 HydrophobicContact CD1-CG1 4.06Å; I440-V490 HydrophobicContact CG2-CG2 4.49Å; I440-I494 HydrophobicContact CD1-CD1 3.86Å; I440-I494 HydrophobicContact CD1-CG1 3.96Å; I440-I494 HydrophobicContact CG1-CG1 4.21Å
441	M	87.1	Confident	87	Confident	65 Å²	65	38.3 Å²	38.3	32%	0.32	23%	0.233	S	C	.	.	H	α-helix	trans	-78.3	-46.4	178.4	-168.6	68	72.5	0	0	111.5	V437 G445 C446 I447 A448 F461	V437-M441 WeakPolarHBondContact O-CB 3.32Å; V437-M441 PolarHBondContact O-N 3.43Å; M441-G445 CarbonylContact O-C 3.54Å; M441-G445 WeakPolarHBondContact O-CA 3.49Å; M441-G445 PolarHBondContact O-N 2.97Å; M441-C446 PolarHBondContact O-N 3.31Å; M441-I447 PolarHBondContact O-N 2.84Å; M441-I447 VanDerWaalsContact O-N 3.15Å; M441-A448 HydrophobicContact SD-CB 4.35Å; M441-F461 HydrophobicContact CE-CD2 3.42Å; M441-F461 VanDerWaalsContact CE-CD2 3.42Å; M441-F461 HydrophobicContact CE-CE2 3.4Å; M441-F461 HydrophobicContact CE-CG 4.19Å; M441-F461 HydrophobicContact CE-CZ 4.12Å; M441-F461 HydrophobicContact SD-CE2 4.4Å
442	G	82.7	Confident	87.2	Confident	23 Å²	23	35.1 Å²	35.1	24%	0.237	22%	0.218	C	C	.	.			trans	65.5	-169.9	-170.2	0	0	0	0	0	113.8	G438 S444 I447	G438-G442 WeakPolarHBondContact O-CA 3.05Å; G438-G442 PolarHBondContact O-N 3.2Å; G442-S444 PolarHBondContact O-N 2.86Å; G442-I447 VanDerWaalsContact CA-CD1 3.47Å
443	E	78.8	Confident	87.3	Confident	89 Å²	89	38.1 Å²	38.1	42%	0.416	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.9	121.9	172.3	-168.3	174.3	-143.8	0	0	109.3	R358 G445 C446	R358-E443 IonicContact CZ-OE2 3.65Å; R358-E443 IonicContact NE-OE2 3.52Å; R358-E443 PolarHBondContact NE-OE2 3.05Å; R358-E443 IonicContact NH2-OE2 2.78Å; R358-E443 PolarHBondContact NH2-OE2 3.42Å; E443-G445 PolarHBondContact O-N 3.37Å; E443-C446 VanDerWaalsContact O-CB 3.3Å; E443-C446 WeakPolarHBondContact O-CB 3.45Å; E443-C446 PolarHBondContact O-N 3.25Å
444	S	79.3	Confident	87.5	Confident	61 Å²	61	36.1 Å²	36.1	43%	0.427	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	53.1	21.4	176.4	-64.4	0	0	0	0	117.4	F357 D361 G442	F357-S444 WeakPolarHBondContact CD1-O 3.37Å; F357-S444 WeakPolarHBondContact CE1-O 3.25Å; D361-S444 VanDerWaalsContact CG-OG 3.26Å; D361-S444 PolarHBondContact OD1-OG 2.86Å; D361-S444 WeakPolarHBondContact OD2-CB 3.42Å; D361-S444 PolarHBondContact OD2-OG 2.85Å; G442-S444 PolarHBondContact O-N 2.86Å
445	G	85.2	Confident	87.7	Confident	12 Å²	12	34.3 Å²	34.3	12%	0.124	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	89.2	6.9	-178.9	0	0	0	0	0	114.9	M441 E443 I447 A448 A449	M441-G445 CarbonylContact O-C 3.54Å; M441-G445 WeakPolarHBondContact O-CA 3.49Å; M441-G445 PolarHBondContact O-N 2.97Å; E443-G445 PolarHBondContact O-N 3.37Å; G445-I447 VanDerWaalsContact C-N 3.33Å; G445-I447 PolarHBondContact O-N 2.88Å; G445-A448 PolarHBondContact O-N 2.91Å; G445-A449 PolarHBondContact O-N 3.01Å
446	C	87.8	Confident	87.9	Confident	10 Å²	10	36.9 Å²	36.9	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-34.5	-175.1	-167.8	0	0	0	0	113.5	F357 M441 E443 V450	F357-C446 HydrophobicContact CB-CB 4Å; F357-C446 HydrophobicContact CD1-CB 4.29Å; F357-C446 HydrophobicContact CD2-CB 4.45Å; F357-C446 HydrophobicContact CG-CB 3.99Å; M441-C446 PolarHBondContact O-N 3.31Å; E443-C446 VanDerWaalsContact O-CB 3.3Å; E443-C446 WeakPolarHBondContact O-CB 3.45Å; E443-C446 PolarHBondContact O-N 3.25Å; C446-V450 WeakPolarHBondContact O-CG2 3.32Å; C446-V450 PolarHBondContact O-N 3.43Å
447	I	89.6	Confident	88.1	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-42.3	177.4	-63.8	174	0	0	0	110.2	K439 I440 M441 G442 G445 A449 V450 I451 F500 T504	K439-I447 WeakPolarHBondContact O-CD1 3.25Å; I440-I447 CarbonylContact O-C 3.53Å; I440-I447 WeakPolarHBondContact O-CB 3.33Å; I440-I447 WeakPolarHBondContact O-CG2 3.24Å; M441-I447 PolarHBondContact O-N 2.84Å; M441-I447 VanDerWaalsContact O-N 3.15Å; G442-I447 VanDerWaalsContact CA-CD1 3.47Å; G445-I447 VanDerWaalsContact C-N 3.33Å; G445-I447 PolarHBondContact O-N 2.88Å; I447-A449 VanDerWaalsContact C-N 3.32Å; I447-A449 PolarHBondContact O-N 3.3Å; I447-V450 WeakPolarHBondContact O-CB 3.41Å; I447-V450 PolarHBondContact O-N 3.34Å; I447-V450 VanDerWaalsContact O-N 3.11Å; I447-I451 HydrophobicContact CG2-CD1 3.86Å; I447-I451 HydrophobicContact CG2-CG1 4.35Å; I447-I451 WeakPolarHBondContact O-CG1 3.16Å; I447-I451 PolarHBondContact O-N 3.15Å; I447-F500 HydrophobicContact CB-CB 4.3Å; I447-F500 HydrophobicContact CD1-CB 4.1Å; I447-F500 HydrophobicContact CG1-CB 3.97Å; I447-F500 HydrophobicContact CG2-CB 3.47Å; I447-F500 VanDerWaalsContact CG2-CB 3.47Å; I447-F500 HydrophobicContact CG2-CD2 4.45Å; I447-F500 HydrophobicContact CG2-CG 4.03Å; I447-T504 HydrophobicContact CG1-CG2 4.16Å
448	A	90.8	Very high	88.3	Confident	8 Å²	8	40.1 Å²	40.1	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-48.3	177.9	0	0	0	0	0	110.1	I440 M441 G445 V450 I451 E452	I440-A448 WeakPolarHBondContact O-CA 3.45Å; I440-A448 PolarHBondContact O-N 3.3Å; M441-A448 HydrophobicContact SD-CB 4.35Å; G445-A448 PolarHBondContact O-N 2.91Å; A448-V450 VanDerWaalsContact C-N 3.3Å; A448-V450 PolarHBondContact O-N 3.18Å; A448-I451 PolarHBondContact O-N 2.95Å; A448-I451 VanDerWaalsContact O-N 3.12Å; A448-E452 WeakPolarHBondContact O-CG 3.43Å; A448-E452 PolarHBondContact O-N 3.35Å
449	A	90.1	Very high	88.7	Confident	12 Å²	12	38.4 Å²	38.4	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-33.2	177.1	0	0	0	0	0	113.8	L353 F357 G445 I447 N453	L353-A449 HydrophobicContact CD1-CB 4.39Å; L353-A449 HydrophobicContact CD2-CB 4.16Å; L353-A449 HydrophobicContact CG-CB 4.47Å; F357-A449 HydrophobicContact CD2-CB 4.47Å; F357-A449 HydrophobicContact CE2-CB 3.43Å; F357-A449 VanDerWaalsContact CE2-CB 3.43Å; F357-A449 HydrophobicContact CZ-CB 3.48Å; F357-A449 VanDerWaalsContact CZ-CB 3.48Å; G445-A449 PolarHBondContact O-N 3.01Å; I447-A449 VanDerWaalsContact C-N 3.32Å; I447-A449 PolarHBondContact O-N 3.3Å; A449-N453 WeakPolarHBondContact O-CB 3.24Å; A449-N453 PolarHBondContact O-N 2.66Å
450	V	90.8	Very high	88.8	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-46	172.7	164.2	0	0	0	0	111	L350 L353 C446 I447 A448 N453 L454 F500 T504	L350-V450 HydrophobicContact CD2-CB 4.41Å; L350-V450 HydrophobicContact CD2-CG1 3.88Å; L350-V450 HydrophobicContact CD2-CG2 4.09Å; L353-V450 HydrophobicContact CD2-CG2 3.93Å; C446-V450 WeakPolarHBondContact O-CG2 3.32Å; C446-V450 PolarHBondContact O-N 3.43Å; I447-V450 WeakPolarHBondContact O-CB 3.41Å; I447-V450 PolarHBondContact O-N 3.34Å; I447-V450 VanDerWaalsContact O-N 3.11Å; A448-V450 VanDerWaalsContact C-N 3.3Å; A448-V450 PolarHBondContact O-N 3.18Å; V450-N453 PolarHBondContact O-N 2.97Å; V450-L454 HydrophobicContact CG1-CD1 3.97Å; V450-L454 WeakPolarHBondContact O-CG 3.22Å; V450-L454 PolarHBondContact O-N 3.33Å; V450-F500 HydrophobicContact CG1-CD1 3.69Å; V450-F500 HydrophobicContact CG1-CE1 3.61Å; V450-T504 HydrophobicContact CG2-CG2 4.28Å
451	I	91.5	Very high	88.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-41	177.7	-60.2	169.8	0	0	0	110.3	I440 I447 A448 N453 L454 T455 I459 L489 V490 F500	I440-I451 HydrophobicContact CG2-CD1 4.31Å; I447-I451 HydrophobicContact CG2-CD1 3.86Å; I447-I451 HydrophobicContact CG2-CG1 4.35Å; I447-I451 WeakPolarHBondContact O-CG1 3.16Å; I447-I451 PolarHBondContact O-N 3.15Å; A448-I451 PolarHBondContact O-N 2.95Å; A448-I451 VanDerWaalsContact O-N 3.12Å; I451-N453 PolarHBondContact O-N 2.97Å; I451-L454 PolarHBondContact O-N 3.32Å; I451-T455 HydrophobicContact CG2-CG2 4.1Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.15Å; I451-T455 WeakPolarHBondContact O-CG2 3.49Å; I451-T455 PolarHBondContact O-N 3.21Å; I451-T455 PolarHBondContact O-OG1 3.41Å; I451-I459 HydrophobicContact CB-CD1 3.66Å; I451-I459 HydrophobicContact CG2-CD1 3.53Å; I451-L489 HydrophobicContact CG1-CD2 4.5Å; I451-L489 HydrophobicContact CG2-CD2 3.98Å; I451-L489 HydrophobicContact CG2-CG 4.19Å; I451-V490 HydrophobicContact CG2-CG2 4.41Å; I451-F500 HydrophobicContact CD1-CD2 4.4Å; I451-F500 HydrophobicContact CD1-CE2 4.48Å; I451-F500 HydrophobicContact CG1-CD2 4.41Å; I451-F500 HydrophobicContact CG1-CE2 4.21Å; I451-F500 HydrophobicContact CG1-CZ 4.38Å
452	E	92.6	Very high	88.6	Confident	60 Å²	60	36.4 Å²	36.4	28%	0.28	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-45.5	173	-70.6	-176.2	141.7	0	0	111.7	A448 T455 K456 A457 I458 I459	A448-E452 WeakPolarHBondContact O-CG 3.43Å; A448-E452 PolarHBondContact O-N 3.35Å; E452-T455 PolarHBondContact O-N 3.13Å; E452-K456 WeakPolarHBondContact O-CA 3.43Å; E452-K456 PolarHBondContact O-N 3.42Å; E452-A457 WeakPolarHBondContact CA-O 3.46Å; E452-A457 WeakPolarHBondContact CB-O 3.32Å; E452-A457 WeakPolarHBondContact CG-O 3.43Å; E452-I458 WeakPolarHBondContact OE1-CA 3.45Å; E452-I459 HydrophobicContact CG-CB 4.1Å; E452-I459 HydrophobicContact CG-CD1 3.94Å; E452-I459 HydrophobicContact CG-CG1 3.74Å; E452-I459 PolarHBondContact OE1-N 2.68Å
453	N	92.3	Very high	88.3	Confident	67 Å²	67	47.4 Å²	47.4	36%	0.358	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-44	178.7	-167.9	45.2	0	0	0	112.5	L353 A449 V450 I451 T455	L353-N453 HydrophobicContact CD2-CB 4.31Å; A449-N453 WeakPolarHBondContact O-CB 3.24Å; A449-N453 PolarHBondContact O-N 2.66Å; V450-N453 PolarHBondContact O-N 2.97Å; I451-N453 PolarHBondContact O-N 2.97Å; N453-T455 PolarHBondContact O-N 3.08Å
454	L	91.4	Very high	87.8	Confident	17 Å²	17	44.1 Å²	44.1	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-30	-179.7	-68.3	173	0	0	0	113.1	I343 M345 V450 I451 L489 F500	I343-L454 HydrophobicContact CG2-CB 4.07Å; I343-L454 HydrophobicContact CG2-CD2 3.88Å; I343-L454 HydrophobicContact CG2-CG 4.49Å; M345-L454 HydrophobicContact CG-CD2 3.93Å; V450-L454 HydrophobicContact CG1-CD1 3.97Å; V450-L454 WeakPolarHBondContact O-CG 3.22Å; V450-L454 PolarHBondContact O-N 3.33Å; I451-L454 PolarHBondContact O-N 3.32Å; L454-L489 HydrophobicContact CB-CD2 4.45Å; L454-L489 HydrophobicContact CD1-CD2 4.43Å; L454-F500 HydrophobicContact CD1-CE1 4.03Å; L454-F500 HydrophobicContact CD1-CZ 4.22Å
455	T	91.1	Very high	86.9	Confident	3 Å²	3	44 Å²	44	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-106.4	-16.8	-171.5	63	0	0	0	0	114.3	I451 E452 N453 A457 D482 A486 L489	I451-T455 HydrophobicContact CG2-CG2 4.1Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.15Å; I451-T455 WeakPolarHBondContact O-CG2 3.49Å; I451-T455 PolarHBondContact O-N 3.21Å; I451-T455 PolarHBondContact O-OG1 3.41Å; E452-T455 PolarHBondContact O-N 3.13Å; N453-T455 PolarHBondContact O-N 3.08Å; T455-A457 PolarHBondContact O-N 3.42Å; T455-A457 VanDerWaalsContact O-N 3.14Å; T455-A457 PolarHBondContact OG1-N 2.89Å; T455-D482 WeakPolarHBondContact O-CB 3.44Å; T455-A486 HydrophobicContact CG2-CB 4.01Å; T455-L489 HydrophobicContact CG2-CB 4.46Å; T455-L489 HydrophobicContact CG2-CD2 3.81Å
456	K	89.9	Confident	85.7	Confident	159 Å²	159	51.6 Å²	51.6	69%	0.691	26%	0.261	S	S	*	.			trans	59.3	12.4	-169.9	-52.3	165.5	-169.6	159.7	0	114.2	E452	E452-K456 WeakPolarHBondContact O-CA 3.43Å; E452-K456 PolarHBondContact O-N 3.42Å
457	A	92.2	Very high	84.6	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	30%	0.3	C	S	.	.			trans	-87.8	162.6	168	0	0	0	0	0	110.6	E452 T455 R476 A477 A486	E452-A457 WeakPolarHBondContact CA-O 3.46Å; E452-A457 WeakPolarHBondContact CB-O 3.32Å; E452-A457 WeakPolarHBondContact CG-O 3.43Å; T455-A457 PolarHBondContact O-N 3.42Å; T455-A457 VanDerWaalsContact O-N 3.14Å; T455-A457 PolarHBondContact OG1-N 2.89Å; A457-R476 CarbonylContact C-O 3.58Å; A457-R476 VanDerWaalsContact CA-O 3.31Å; A457-R476 WeakPolarHBondContact CA-O 3.39Å; A457-A477 HydrophobicContact CB-CB 3.98Å; A457-A486 HydrophobicContact CB-CB 3.56Å
458	I	91.9	Very high	83.7	Confident	92 Å²	92	62 Å²	62	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.3	172.1	-60.5	173.2	0	0	0	107.8	E452 L475 R476	E452-I458 WeakPolarHBondContact OE1-CA 3.45Å; I458-L475 WeakPolarHBondContact O-CA 3.43Å; I458-R476 HydrophobicContact CB-CB 4.48Å; I458-R476 PolarHBondContact N-O 2.84Å; I458-R476 PolarHBondContact O-N 2.85Å
459	I	92.1	Very high	83.2	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.072	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.3	-176.3	-57.6	175.6	0	0	0	108.6	I451 E452 F461 L473 L475	I451-I459 HydrophobicContact CB-CD1 3.66Å; I451-I459 HydrophobicContact CG2-CD1 3.53Å; E452-I459 HydrophobicContact CG-CB 4.1Å; E452-I459 HydrophobicContact CG-CD1 3.94Å; E452-I459 HydrophobicContact CG-CG1 3.74Å; E452-I459 PolarHBondContact OE1-N 2.68Å; I459-F461 HydrophobicContact CG2-CD2 4.46Å; I459-F461 HydrophobicContact CG2-CE2 3.77Å; I459-F461 HydrophobicContact CG2-CZ 4.28Å; I459-L473 HydrophobicContact CG2-CD1 3.64Å; I459-L475 HydrophobicContact CB-CD2 4.37Å; I459-L475 HydrophobicContact CG1-CD2 3.85Å; I459-L475 HydrophobicContact CG2-CD2 4.27Å
460	S	89.5	Confident	83	Confident	28 Å²	28	74.2 Å²	74.2	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.7	-179.2	43.5	0	0	0	0	111.8	Y474 R476	S460-Y474 PolarHBondContact N-O 3.32Å; S460-Y474 WeakPolarHBondContact O-CA 3.43Å; S460-Y474 WeakPolarHBondContact O-CB 3.24Å; S460-Y474 PolarHBondContact O-N 2.98Å; S460-Y474 PolarHBondContact OG-O 2.95Å; S460-R476 PolarHBondContact OG-NH2 3.02Å
461	F	87.6	Confident	82.8	Confident	35 Å²	35	76.7 Å²	76.7	15%	0.154	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.6	-173.9	-66.4	-105.2	0	0	0	110.7	I432 V437 I440 M441 I459 R463 L473	I432-F461 HydrophobicContact CD1-CD1 4.15Å; I432-F461 HydrophobicContact CD1-CE1 3.72Å; V437-F461 HydrophobicContact CB-CE1 4.32Å; V437-F461 HydrophobicContact CG1-CD1 4.02Å; V437-F461 HydrophobicContact CG1-CE1 3.83Å; V437-F461 HydrophobicContact CG2-CD1 4.23Å; V437-F461 HydrophobicContact CG2-CE1 4.17Å; I440-F461 HydrophobicContact CB-CZ 3.95Å; I440-F461 HydrophobicContact CD1-CE1 4.43Å; I440-F461 HydrophobicContact CG2-CZ 3.79Å; M441-F461 HydrophobicContact CE-CD2 3.42Å; M441-F461 VanDerWaalsContact CE-CD2 3.42Å; M441-F461 HydrophobicContact CE-CE2 3.4Å; M441-F461 HydrophobicContact CE-CG 4.19Å; M441-F461 HydrophobicContact CE-CZ 4.12Å; M441-F461 HydrophobicContact SD-CE2 4.4Å; I459-F461 HydrophobicContact CG2-CD2 4.46Å; I459-F461 HydrophobicContact CG2-CE2 3.77Å; I459-F461 HydrophobicContact CG2-CZ 4.28Å; F461-R463 PolarHBondContact O-N 3.04Å; F461-L473 HydrophobicContact CD1-CD1 3.69Å; F461-L473 HydrophobicContact CD2-CD1 3.97Å; F461-L473 HydrophobicContact CE1-CD1 3.55Å; F461-L473 HydrophobicContact CE2-CD1 3.81Å; F461-L473 HydrophobicContact CG-CD1 3.91Å; F461-L473 HydrophobicContact CZ-CD1 3.6Å
462	Q	83.5	Confident	82.7	Confident	63 Å²	63	77.8 Å²	77.8	29%	0.294	39%	0.393	S	S	.	.			trans	-61.9	127	169.7	-166.5	-177.2	46.2	0	0	109.9	T464 R471 V472 Y474	Q462-T464 VanDerWaalsContact C-N 3.32Å; Q462-T464 HydrophobicContact CB-CG2 4.2Å; Q462-T464 HydrophobicContact CG-CG2 3.89Å; Q462-T464 PolarHBondContact O-N 2.79Å; Q462-R471 HydrophobicContact CB-CG 4.32Å; Q462-R471 VanDerWaalsContact O-CD 3.27Å; Q462-R471 WeakPolarHBondContact O-CD 3.48Å; Q462-R471 PolarHBondContact O-NE 2.85Å; Q462-R471 VanDerWaalsContact O-NE 3.11Å; Q462-V472 HydrophobicContact CB-CB 4.09Å; Q462-V472 WeakPolarHBondContact CB-O 3.49Å; Q462-V472 PolarHBondContact N-O 3.3Å; Q462-Y474 HydrophobicContact CB-CE2 3.75Å; Q462-Y474 HydrophobicContact CG-CE2 4.27Å
463	R	76.6	Confident	82.7	Confident	254 Å²	254	75 Å²	75	96%	0.958	38%	0.38	S	S	*	.			trans	-70.9	88.9	170.7	-70.6	-174.8	179.3	-177.5	0.2	109.3	F461	F461-R463 PolarHBondContact O-N 3.04Å
464	T	67.9	Low	82.7	Confident	19 Å²	19	74.3 Å²	74.3	12%	0.117	37%	0.373	C	S	.	.			trans	-101.5	143	172.9	57.6	0	0	0	0	111.1	Q462 K468 R471	Q462-T464 VanDerWaalsContact C-N 3.32Å; Q462-T464 HydrophobicContact CB-CG2 4.2Å; Q462-T464 HydrophobicContact CG-CG2 3.89Å; Q462-T464 PolarHBondContact O-N 2.79Å; T464-K468 HydrophobicContact CG2-CD 4.16Å; T464-R471 HydrophobicContact CG2-CG 4.48Å; T464-R471 PolarHBondContact O-NH2 3.48Å; T464-R471 PolarHBondContact OG1-NE 2.87Å; T464-R471 PolarHBondContact OG1-NH2 3.06Å
465	G	59.8	Low	82.8	Confident	58 Å²	58	73.5 Å²	73.5	60%	0.598	37%	0.368	S	S	*	.			trans	-61.9	162.1	166.7	0	0	0	0	0	112	A467	G465-A467 PolarHBondContact O-N 2.79Å; G465-A467 VanDerWaalsContact O-N 3.11Å
466	I	60.8	Low	82.8	Confident	173 Å²	173	77.7 Å²	77.7	89%	0.887	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28	-169.1	-58.6	171.7	0	0	0	112.7	K468	I466-K468 VanDerWaalsContact C-N 3.3Å; I466-K468 PolarHBondContact O-N 3Å
467	A	64	Low	82.9	Confident	107 Å²	107	70.3 Å²	70.3	88%	0.884	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.4	-171.5	0	0	0	0	0	116.9	G465	G465-A467 PolarHBondContact O-N 2.79Å; G465-A467 VanDerWaalsContact O-N 3.11Å
468	K	70.4	Confident	82.7	Confident	127 Å²	127	79.3 Å²	79.3	55%	0.552	39%	0.386	S	S	*	.			trans	-89.7	135.6	176.7	-65.5	-161.3	175.4	-167.4	0	111.4	N434 T464 I466 K470	N434-K468 PolarHBondContact ND2-O 2.88Å; T464-K468 HydrophobicContact CG2-CD 4.16Å; I466-K468 VanDerWaalsContact C-N 3.3Å; I466-K468 PolarHBondContact O-N 3Å; K468-K470 VanDerWaalsContact CB-O 3.31Å; K468-K470 WeakPolarHBondContact CB-O 3.3Å
469	E	81.6	Confident	82.6	Confident	169 Å²	169	76.8 Å²	76.8	79%	0.79	38%	0.377	S	S	*	.	S	Bend	trans	-69.4	-37.7	172.4	-172.7	-174.3	-174.2	0	0	112.1	N434	N434-E469 WeakPolarHBondContact CB-O 3.47Å; N434-E469 PolarHBondContact N-O 2.92Å
470	K	86	Confident	82.5	Confident	109 Å²	109	83.8 Å²	83.8	47%	0.474	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.5	177.8	-66.2	178.1	171.8	-177.5	0	112.4	E431 I432 K468	E431-K470 HydrophobicContact CB-CD 4.37Å; E431-K470 VanDerWaalsContact OE2-CD 3.26Å; E431-K470 WeakPolarHBondContact OE2-CD 3.26Å; E431-K470 WeakPolarHBondContact OE2-CE 3.18Å; E431-K470 IonicContact OE2-NZ 3.75Å; E431-K470 PolarHBondContact OE2-NZ 3.15Å; I432-K470 CarbonylContact O-C 3.09Å; I432-K470 WeakPolarHBondContact O-CA 3.27Å; K468-K470 VanDerWaalsContact CB-O 3.31Å; K468-K470 WeakPolarHBondContact CB-O 3.3Å
471	R	86.6	Confident	82.5	Confident	53 Å²	53	87.5 Å²	87.5	20%	0.2	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.2	172.2	175	176.5	-78.9	173.6	-4.4	109.9	I432 N434 Q462 T464	I432-R471 VanDerWaalsContact CG1-O 3.3Å; I432-R471 WeakPolarHBondContact CG1-O 3.39Å; I432-R471 PolarHBondContact N-O 3.42Å; I432-R471 PolarHBondContact O-N 2.83Å; N434-R471 WeakPolarHBondContact OD1-CB 3.46Å; N434-R471 PolarHBondContact OD1-NE 2.94Å; Q462-R471 HydrophobicContact CB-CG 4.32Å; Q462-R471 VanDerWaalsContact O-CD 3.27Å; Q462-R471 WeakPolarHBondContact O-CD 3.48Å; Q462-R471 PolarHBondContact O-NE 2.85Å; Q462-R471 VanDerWaalsContact O-NE 3.11Å; T464-R471 HydrophobicContact CG2-CG 4.48Å; T464-R471 PolarHBondContact O-NH2 3.48Å; T464-R471 PolarHBondContact OG1-NE 2.87Å; T464-R471 PolarHBondContact OG1-NH2 3.06Å
472	V	88.4	Confident	82.7	Confident	24 Å²	24	87.3 Å²	87.3	15%	0.145	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130	174.8	-177	0	0	0	0	110.3	Q429 Q462 Y474	Q429-V472 HydrophobicContact CB-CG1 3.95Å; Q462-V472 HydrophobicContact CB-CB 4.09Å; Q462-V472 WeakPolarHBondContact CB-O 3.49Å; Q462-V472 PolarHBondContact N-O 3.3Å; V472-Y474 HydrophobicContact CG1-CD1 4.05Å; V472-Y474 HydrophobicContact CG1-CE1 3.64Å; V472-Y474 HydrophobicContact CG1-CE2 4.25Å
473	L	92.3	Very high	83	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.6	169.7	-175.4	65.8	0	0	0	109	Q429 L430 I432 I440 I459 F461 L475 V490	Q429-L473 CarbonylContact C-O 3.58Å; Q429-L473 WeakPolarHBondContact CA-O 3.49Å; L430-L473 HydrophobicContact CB-CB 4.36Å; L430-L473 PolarHBondContact N-O 3.38Å; L430-L473 PolarHBondContact O-N 2.87Å; I432-L473 HydrophobicContact CD1-CB 4.19Å; I432-L473 HydrophobicContact CD1-CD2 4.48Å; I432-L473 HydrophobicContact CG1-CB 4.35Å; I432-L473 HydrophobicContact CG2-CB 4.46Å; I432-L473 HydrophobicContact CG2-CD2 4.46Å; I440-L473 HydrophobicContact CD1-CD2 4.33Å; I459-L473 HydrophobicContact CG2-CD1 3.64Å; F461-L473 HydrophobicContact CD1-CD1 3.69Å; F461-L473 HydrophobicContact CD2-CD1 3.97Å; F461-L473 HydrophobicContact CE1-CD1 3.55Å; F461-L473 HydrophobicContact CE2-CD1 3.81Å; F461-L473 HydrophobicContact CG-CD1 3.91Å; F461-L473 HydrophobicContact CZ-CD1 3.6Å; L473-L475 HydrophobicContact CD2-CD2 4.21Å; L473-L475 HydrophobicContact CG-CD2 4.23Å; L473-V490 HydrophobicContact CD2-CG1 3.77Å; L473-V490 HydrophobicContact CD2-CG2 4.37Å
474	Y	92.4	Very high	83.7	Confident	53 Å²	53	75 Å²	75	21%	0.208	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.5	176.3	-55.3	-75.6	0	0	0	109.8	M428 Q429 S460 Q462 V472	M428-Y474 WeakPolarHBondContact O-CA 3.41Å; Q429-Y474 HydrophobicContact CB-CD1 4.49Å; Q429-Y474 HydrophobicContact CG-CD1 3.91Å; Q429-Y474 HydrophobicContact CG-CE1 4.06Å; S460-Y474 PolarHBondContact N-O 3.32Å; S460-Y474 WeakPolarHBondContact O-CA 3.43Å; S460-Y474 WeakPolarHBondContact O-CB 3.24Å; S460-Y474 PolarHBondContact O-N 2.98Å; S460-Y474 PolarHBondContact OG-O 2.95Å; Q462-Y474 HydrophobicContact CB-CE2 3.75Å; Q462-Y474 HydrophobicContact CG-CE2 4.27Å; V472-Y474 HydrophobicContact CG1-CD1 4.05Å; V472-Y474 HydrophobicContact CG1-CE1 3.64Å; V472-Y474 HydrophobicContact CG1-CE2 4.25Å
475	L	93.4	Very high	84.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135	171	-58.1	-178.4	0	0	0	109	Q427 M428 L430 I458 I459 L473 L483 A486 Q487	Q427-L475 WeakPolarHBondContact CA-O 3.36Å; M428-L475 HydrophobicContact CE-CD1 4.2Å; M428-L475 PolarHBondContact N-O 2.72Å; M428-L475 PolarHBondContact O-N 3.01Å; L430-L475 HydrophobicContact CD1-CD1 3.66Å; L430-L475 HydrophobicContact CD1-CG 4.35Å; I458-L475 WeakPolarHBondContact O-CA 3.43Å; I459-L475 HydrophobicContact CB-CD2 4.37Å; I459-L475 HydrophobicContact CG1-CD2 3.85Å; I459-L475 HydrophobicContact CG2-CD2 4.27Å; L473-L475 HydrophobicContact CD2-CD2 4.21Å; L473-L475 HydrophobicContact CG-CD2 4.23Å; L475-L483 HydrophobicContact CB-CD1 3.56Å; L475-A486 HydrophobicContact CD1-CB 4.07Å; L475-Q487 HydrophobicContact CD1-CB 4.46Å
476	R	92.1	Very high	86.4	Confident	91 Å²	91	71.6 Å²	71.6	34%	0.343	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.6	177.1	-80.3	177.1	-74.8	170.9	-3.4	111	V426 Q427 A457 I458 S460	V426-R476 CarbonylContact O-C 3.29Å; V426-R476 WeakPolarHBondContact O-CA 3.29Å; Q427-R476 HydrophobicContact CB-CG 3.77Å; Q427-R476 HydrophobicContact CG-CG 3.64Å; A457-R476 CarbonylContact C-O 3.58Å; A457-R476 VanDerWaalsContact CA-O 3.31Å; A457-R476 WeakPolarHBondContact CA-O 3.39Å; I458-R476 HydrophobicContact CB-CB 4.48Å; I458-R476 PolarHBondContact N-O 2.84Å; I458-R476 PolarHBondContact O-N 2.85Å; S460-R476 PolarHBondContact OG-NH2 3.02Å
477	A	91.6	Very high	88	Confident	5 Å²	5	66.3 Å²	66.3	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	170.2	-179	0	0	0	0	0	112.6	T425 V426 A457 D482 L483	T425-A477 CarbonylContact C-O 3.58Å; T425-A477 VanDerWaalsContact CA-O 3.26Å; T425-A477 WeakPolarHBondContact CA-O 3.27Å; V426-A477 PolarHBondContact N-O 3.37Å; V426-A477 PolarHBondContact O-N 3.22Å; A457-A477 HydrophobicContact CB-CB 3.98Å; A477-D482 HydrophobicContact CB-CB 3.7Å; A477-L483 HydrophobicContact CB-CB 4.07Å; A477-L483 HydrophobicContact CB-CD1 4.33Å
478	R	89	Confident	89.3	Confident	191 Å²	191	63.6 Å²	63.6	72%	0.721	28%	0.281	S	S	*	.	S	Bend	trans	-80	-17.7	175.4	-65.5	-174.3	-177.4	-175.4	1.5	113.5
479	S	89.3	Confident	90.3	Very high	40 Å²	40	57.6 Å²	57.6	28%	0.28	26%	0.255	S	S	.	.	S	Bend	trans	-141.4	157.6	177.5	79.1	0	0	0	0	111.9	Q481 D482 L483	S479-Q481 PolarHBondContact O-N 2.78Å; S479-Q481 PolarHBondContact OG-N 3.48Å; S479-D482 WeakPolarHBondContact CB-OD2 3.48Å; S479-D482 PolarHBondContact N-OD2 3.33Å; S479-D482 PolarHBondContact O-N 2.98Å; S479-D482 PolarHBondContact OG-N 3.2Å; S479-D482 VanDerWaalsContact OG-N 3.08Å; S479-D482 PolarHBondContact OG-OD2 3.35Å; S479-L483 WeakPolarHBondContact O-CB 3.16Å; S479-L483 PolarHBondContact O-N 2.87Å; S479-L483 VanDerWaalsContact O-N 3.1Å
480	W	89.1	Confident	90.8	Very high	161 Å²	161	49.6 Å²	49.6	61%	0.61	22%	0.218	S	C	*	.	H	α-helix	trans	-62	-25.8	168.5	-76.8	104.3	0	0	0	112.7	V426 L483 N484	V426-W480 HydrophobicContact CG1-CD2 3.66Å; V426-W480 VanDerWaalsContact CG1-CE2 3.4Å; V426-W480 HydrophobicContact CG1-CE3 3.88Å; V426-W480 HydrophobicContact CG1-CG 4.35Å; V426-W480 HydrophobicContact CG1-CH2 3.68Å; V426-W480 HydrophobicContact CG1-CZ2 3.43Å; V426-W480 VanDerWaalsContact CG1-CZ2 3.43Å; V426-W480 HydrophobicContact CG1-CZ3 3.89Å; V426-W480 HydrophobicContact CG2-CG 4.43Å; W480-L483 HydrophobicContact CE3-CD2 4.04Å; W480-L483 HydrophobicContact CZ3-CD2 4.05Å; W480-N484 WeakPolarHBondContact O-CB 3.37Å; W480-N484 PolarHBondContact O-N 3.24Å; W480-N484 PolarHBondContact O-ND2 2.94Å
481	Q	89.6	Confident	91	Very high	105 Å²	105	46.5 Å²	46.5	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-70.4	-48	178.2	178.9	166.2	-22.5	0	0	111.3	Y341 S479 L483 N484 C485	Y341-Q481 HydrophobicContact CD1-CG 3.89Å; Y341-Q481 HydrophobicContact CE1-CG 4.09Å; Y341-Q481 WeakPolarHBondContact CE1-O 3.32Å; S479-Q481 PolarHBondContact O-N 2.78Å; S479-Q481 PolarHBondContact OG-N 3.48Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.47Å; Q481-N484 PolarHBondContact O-N 3.41Å; Q481-C485 WeakPolarHBondContact O-CB 3.49Å; Q481-C485 PolarHBondContact O-N 2.87Å
482	D	91.6	Very high	91	Very high	32 Å²	32	44.2 Å²	44.2	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-41.6	174.6	-58.2	-47.5	0	0	0	111	T455 A477 S479 C485 A486	T455-D482 WeakPolarHBondContact O-CB 3.44Å; A477-D482 HydrophobicContact CB-CB 3.7Å; S479-D482 WeakPolarHBondContact CB-OD2 3.48Å; S479-D482 PolarHBondContact N-OD2 3.33Å; S479-D482 PolarHBondContact O-N 2.98Å; S479-D482 PolarHBondContact OG-N 3.2Å; S479-D482 VanDerWaalsContact OG-N 3.08Å; S479-D482 PolarHBondContact OG-OD2 3.35Å; D482-C485 WeakPolarHBondContact O-CB 3.26Å; D482-C485 PolarHBondContact O-N 2.96Å; D482-A486 PolarHBondContact O-N 2.78Å
483	L	91.6	Very high	91	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-43.2	-179.6	-167.3	63.1	0	0	0	112.9	V426 M428 L475 A477 S479 W480 Q481 A486 Q487	V426-L483 HydrophobicContact CB-CD2 3.93Å; V426-L483 HydrophobicContact CG1-CD2 3.42Å; V426-L483 VanDerWaalsContact CG1-CD2 3.42Å; M428-L483 HydrophobicContact CB-CD1 4.2Å; M428-L483 HydrophobicContact CB-CD2 3.91Å; M428-L483 HydrophobicContact CB-CG 4.18Å; M428-L483 HydrophobicContact CE-CG 4.21Å; L475-L483 HydrophobicContact CB-CD1 3.56Å; A477-L483 HydrophobicContact CB-CB 4.07Å; A477-L483 HydrophobicContact CB-CD1 4.33Å; S479-L483 WeakPolarHBondContact O-CB 3.16Å; S479-L483 PolarHBondContact O-N 2.87Å; S479-L483 VanDerWaalsContact O-N 3.1Å; W480-L483 HydrophobicContact CE3-CD2 4.04Å; W480-L483 HydrophobicContact CZ3-CD2 4.05Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.47Å; L483-A486 PolarHBondContact O-N 3.29Å; L483-Q487 PolarHBondContact O-N 3.34Å
484	N	91.3	Very high	90.8	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-68	-35.8	174.5	-72.6	-46.1	0	0	0	111.7	Y341 W480 Q481 Q487 E488	Y341-N484 HydrophobicContact CE1-CB 4.44Å; W480-N484 WeakPolarHBondContact O-CB 3.37Å; W480-N484 PolarHBondContact O-N 3.24Å; W480-N484 PolarHBondContact O-ND2 2.94Å; Q481-N484 PolarHBondContact O-N 3.41Å; N484-Q487 WeakPolarHBondContact O-CB 3.14Å; N484-Q487 PolarHBondContact O-N 3.33Å; N484-E488 PolarHBondContact O-N 2.95Å
485	C	91.9	Very high	90.4	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.034	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-47.6	173.2	-173.4	0	0	0	0	111.1	Y341 I343 Q481 D482 Q487 E488 L489	Y341-C485 HydrophobicContact CD1-CB 3.57Å; Y341-C485 HydrophobicContact CD2-CB 4.27Å; Y341-C485 HydrophobicContact CE1-CB 3.77Å; Y341-C485 HydrophobicContact CE2-CB 4.45Å; Y341-C485 HydrophobicContact CG-CB 3.84Å; I343-C485 VanDerWaalsContact CD1-SG 3.57Å; Q481-C485 WeakPolarHBondContact O-CB 3.49Å; Q481-C485 PolarHBondContact O-N 2.87Å; D482-C485 WeakPolarHBondContact O-CB 3.26Å; D482-C485 PolarHBondContact O-N 2.96Å; C485-Q487 PolarHBondContact O-N 2.85Å; C485-E488 PolarHBondContact O-N 2.9Å; C485-L489 WeakPolarHBondContact O-CB 3.36Å; C485-L489 PolarHBondContact O-N 3.25Å
486	A	92.6	Very high	89.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-37.5	176.3	0	0	0	0	0	113.1	T455 A457 L475 D482 L483 V490	T455-A486 HydrophobicContact CG2-CB 4.01Å; A457-A486 HydrophobicContact CB-CB 3.56Å; L475-A486 HydrophobicContact CD1-CB 4.07Å; D482-A486 PolarHBondContact O-N 2.78Å; L483-A486 PolarHBondContact O-N 3.29Å; A486-V490 WeakPolarHBondContact O-CB 3.26Å; A486-V490 VanDerWaalsContact O-CG2 3.24Å; A486-V490 WeakPolarHBondContact O-CG2 3.29Å; A486-V490 PolarHBondContact O-N 3.49Å
487	Q	92.9	Very high	88.8	Confident	62 Å²	62	50.7 Å²	50.7	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-56.7	173.6	-173.5	178.2	11.5	0	0	111.5	M428 L430 L475 L483 N484 C485 L489 V490 T491	M428-Q487 HydrophobicContact CE-CB 3.56Å; M428-Q487 VanDerWaalsContact CE-CD 3.49Å; M428-Q487 HydrophobicContact CE-CG 3.74Å; L430-Q487 HydrophobicContact CD1-CG 4.12Å; L430-Q487 HydrophobicContact CD2-CG 4.19Å; L475-Q487 HydrophobicContact CD1-CB 4.46Å; L483-Q487 PolarHBondContact O-N 3.34Å; N484-Q487 WeakPolarHBondContact O-CB 3.14Å; N484-Q487 PolarHBondContact O-N 3.33Å; C485-Q487 PolarHBondContact O-N 2.85Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; Q487-L489 PolarHBondContact O-N 3.15Å; Q487-V490 PolarHBondContact O-N 3.22Å; Q487-T491 PolarHBondContact O-N 3.47Å; Q487-T491 PolarHBondContact O-OG1 2.82Å; Q487-T491 VanDerWaalsContact O-OG1 3.11Å
488	E	91.2	Very high	88.5	Confident	50 Å²	50	50.6 Å²	50.6	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-36.8	-174.5	-165.1	171.5	168.3	0	0	111.2	L337 K340 Y341 N484 C485 T491 L492	L337-E488 HydrophobicContact CD1-CB 3.6Å; L337-E488 HydrophobicContact CD1-CG 3.56Å; K340-E488 IonicContact NZ-OE1 2.72Å; K340-E488 PolarHBondContact NZ-OE1 3.28Å; K340-E488 IonicContact NZ-OE2 3.09Å; K340-E488 PolarHBondContact NZ-OE2 2.85Å; Y341-E488 WeakPolarHBondContact CE2-OE2 3.21Å; Y341-E488 PolarHBondContact OH-OE2 3.06Å; N484-E488 PolarHBondContact O-N 2.95Å; C485-E488 PolarHBondContact O-N 2.9Å; E488-T491 PolarHBondContact O-N 2.87Å; E488-L492 WeakPolarHBondContact O-CB 3.4Å; E488-L492 WeakPolarHBondContact O-CG 3.23Å; E488-L492 PolarHBondContact O-N 3.27Å
489	L	91.9	Very high	88.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-38.5	174.1	-173.6	50.8	0	0	0	113.2	F334 L337 I451 L454 T455 C485 Q487 L492 T493 F500	F334-L489 HydrophobicContact CD2-CD1 4.28Å; F334-L489 HydrophobicContact CE2-CD1 3.77Å; L337-L489 HydrophobicContact CD2-CB 4.03Å; L337-L489 HydrophobicContact CD2-CD1 3.77Å; L337-L489 HydrophobicContact CD2-CG 4.32Å; I451-L489 HydrophobicContact CG1-CD2 4.5Å; I451-L489 HydrophobicContact CG2-CD2 3.98Å; I451-L489 HydrophobicContact CG2-CG 4.19Å; L454-L489 HydrophobicContact CB-CD2 4.45Å; L454-L489 HydrophobicContact CD1-CD2 4.43Å; T455-L489 HydrophobicContact CG2-CB 4.46Å; T455-L489 HydrophobicContact CG2-CD2 3.81Å; C485-L489 WeakPolarHBondContact O-CB 3.36Å; C485-L489 PolarHBondContact O-N 3.25Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; Q487-L489 PolarHBondContact O-N 3.15Å; L489-L492 PolarHBondContact O-N 3.41Å; L489-T493 WeakPolarHBondContact O-CB 3.24Å; L489-T493 PolarHBondContact O-N 3.15Å; L489-T493 PolarHBondContact O-OG1 3.33Å; L489-F500 HydrophobicContact CD1-CE2 3.73Å; L489-F500 HydrophobicContact CD1-CZ 3.85Å; L489-F500 HydrophobicContact CD2-CZ 4.26Å; L489-F500 HydrophobicContact CG-CE2 4.26Å; L489-F500 HydrophobicContact CG-CZ 4.35Å
490	V	92.1	Very high	88	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-45	172.3	166.5	0	0	0	0	110.7	I440 I451 L473 A486 Q487 L492 T493 I494	I440-V490 HydrophobicContact CD1-CG1 4.06Å; I440-V490 HydrophobicContact CG2-CG2 4.49Å; I451-V490 HydrophobicContact CG2-CG2 4.41Å; L473-V490 HydrophobicContact CD2-CG1 3.77Å; L473-V490 HydrophobicContact CD2-CG2 4.37Å; A486-V490 WeakPolarHBondContact O-CB 3.26Å; A486-V490 VanDerWaalsContact O-CG2 3.24Å; A486-V490 WeakPolarHBondContact O-CG2 3.29Å; A486-V490 PolarHBondContact O-N 3.49Å; Q487-V490 PolarHBondContact O-N 3.22Å; V490-L492 VanDerWaalsContact C-N 3.35Å; V490-L492 PolarHBondContact O-N 3.31Å; V490-T493 WeakPolarHBondContact O-CB 3.37Å; V490-T493 PolarHBondContact O-N 3.2Å; V490-T493 VanDerWaalsContact O-N 3.09Å; V490-I494 HydrophobicContact CG1-CD1 3.64Å; V490-I494 HydrophobicContact CG1-CG1 4.3Å; V490-I494 WeakPolarHBondContact O-CG1 3.23Å; V490-I494 PolarHBondContact O-N 3.2Å
491	T	90	Very high	87.6	Confident	44 Å²	44	37.2 Å²	37.2	27%	0.27	20%	0.195	S	C	.	.	H	α-helix	trans	-57.3	-46	174.5	-63.4	0	0	0	0	111.4	Q487 E488 T493 I494 E495	Q487-T491 PolarHBondContact O-N 3.47Å; Q487-T491 PolarHBondContact O-OG1 2.82Å; Q487-T491 VanDerWaalsContact O-OG1 3.11Å; E488-T491 PolarHBondContact O-N 2.87Å; T491-T493 VanDerWaalsContact C-N 3.29Å; T491-T493 PolarHBondContact O-N 3.32Å; T491-I494 PolarHBondContact O-N 3.37Å; T491-E495 HydrophobicContact CG2-CG 4.33Å; T491-E495 WeakPolarHBondContact CG2-OE2 3.44Å; T491-E495 WeakPolarHBondContact O-CB 3.44Å; T491-E495 PolarHBondContact O-N 3.43Å
492	L	87.6	Confident	87.2	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-34.7	174.8	-71.2	173.3	0	0	0	112.9	C333 F334 L337 E488 L489 V490 R496 G497 I498	C333-L492 HydrophobicContact CB-CD2 3.88Å; F334-L492 HydrophobicContact CD2-CD1 4.39Å; L337-L492 HydrophobicContact CB-CD1 3.99Å; L337-L492 HydrophobicContact CD1-CD1 4.23Å; L337-L492 HydrophobicContact CD2-CD1 4.08Å; L337-L492 HydrophobicContact CG-CD1 4.32Å; E488-L492 WeakPolarHBondContact O-CB 3.4Å; E488-L492 WeakPolarHBondContact O-CG 3.23Å; E488-L492 PolarHBondContact O-N 3.27Å; L489-L492 PolarHBondContact O-N 3.41Å; V490-L492 VanDerWaalsContact C-N 3.35Å; V490-L492 PolarHBondContact O-N 3.31Å; L492-R496 HydrophobicContact CD2-CB 3.8Å; L492-R496 HydrophobicContact CD2-CG 3.91Å; L492-R496 CarbonylContact O-C 3.58Å; L492-R496 VanDerWaalsContact O-CA 3.31Å; L492-R496 WeakPolarHBondContact O-CA 3.37Å; L492-R496 PolarHBondContact O-N 2.76Å; L492-R496 VanDerWaalsContact O-N 3.14Å; L492-G497 PolarHBondContact O-N 3.38Å; L492-I498 HydrophobicContact CB-CG1 4Å; L492-I498 PolarHBondContact O-N 3.32Å
493	T	87.8	Confident	86.8	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-72.2	-36	176.8	-54.6	0	0	0	0	112.3	K439 L489 V490 T491 F500	K439-T493 HydrophobicContact CB-CG2 4.38Å; L489-T493 WeakPolarHBondContact O-CB 3.24Å; L489-T493 PolarHBondContact O-N 3.15Å; L489-T493 PolarHBondContact O-OG1 3.33Å; V490-T493 WeakPolarHBondContact O-CB 3.37Å; V490-T493 PolarHBondContact O-N 3.2Å; V490-T493 VanDerWaalsContact O-N 3.09Å; T491-T493 VanDerWaalsContact C-N 3.29Å; T491-T493 PolarHBondContact O-N 3.32Å; T493-F500 HydrophobicContact CG2-CD2 4.15Å
494	I	87.4	Confident	86.4	Confident	29 Å²	29	31.9 Å²	31.9	15%	0.149	17%	0.171	C	C	.	.	H	α-helix	trans	-78.2	-56	-179.5	-64.3	168.3	0	0	0	111.1	I432 K439 I440 V490 T491	I432-I494 HydrophobicContact CB-CD1 4.35Å; I432-I494 HydrophobicContact CG2-CD1 3.6Å; K439-I494 PolarHBondContact NZ-O 3.09Å; I440-I494 HydrophobicContact CD1-CD1 3.86Å; I440-I494 HydrophobicContact CD1-CG1 3.96Å; I440-I494 HydrophobicContact CG1-CG1 4.21Å; V490-I494 HydrophobicContact CG1-CD1 3.64Å; V490-I494 HydrophobicContact CG1-CG1 4.3Å; V490-I494 WeakPolarHBondContact O-CG1 3.23Å; V490-I494 PolarHBondContact O-N 3.2Å; T491-I494 PolarHBondContact O-N 3.37Å
495	E	84	Confident	85.8	Confident	140 Å²	140	29.6 Å²	29.6	65%	0.654	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-44.2	-166.7	-59.8	175.1	-173.3	0	0	112.4	T491	T491-E495 HydrophobicContact CG2-CG 4.33Å; T491-E495 WeakPolarHBondContact CG2-OE2 3.44Å; T491-E495 WeakPolarHBondContact O-CB 3.44Å; T491-E495 PolarHBondContact O-N 3.43Å
496	R	77.8	Confident	85.2	Confident	105 Å²	105	29.3 Å²	29.3	40%	0.396	16%	0.157	S	C	.	.	S	Bend	trans	-98.4	22.4	-175.7	-59.9	-151.4	-171.9	128.8	5.8	113.7	N330 C333 L492 I498	N330-R496 HydrophobicContact CB-CB 4.28Å; N330-R496 WeakPolarHBondContact CB-O 3.39Å; N330-R496 PolarHBondContact ND2-O 3.16Å; N330-R496 VanDerWaalsContact OD1-CB 3.27Å; N330-R496 WeakPolarHBondContact OD1-CB 3.46Å; C333-R496 PolarHBondContact SG-NH1 2.99Å; L492-R496 HydrophobicContact CD2-CB 3.8Å; L492-R496 HydrophobicContact CD2-CG 3.91Å; L492-R496 CarbonylContact O-C 3.58Å; L492-R496 VanDerWaalsContact O-CA 3.31Å; L492-R496 WeakPolarHBondContact O-CA 3.37Å; L492-R496 PolarHBondContact O-N 2.76Å; L492-R496 VanDerWaalsContact O-N 3.14Å; R496-I498 PolarHBondContact O-N 3.3Å
497	G	75.5	Confident	84.7	Confident	27 Å²	27	29.4 Å²	29.4	28%	0.278	16%	0.157	S	C	.	.			trans	56	25.7	164.2	0	0	0	0	0	116.3	L492 N499	L492-G497 PolarHBondContact O-N 3.38Å; G497-N499 PolarHBondContact O-N 3.33Å; G497-N499 VanDerWaalsContact O-N 3.11Å; G497-N499 PolarHBondContact O-ND2 2.89Å; G497-N499 PolarHBondContact O-OD1 3.08Å
498	I	84.6	Confident	84	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.146	C	C	.	.			trans	-67.7	110.7	177.9	-61.1	-57.2	0	0	0	109.2	L299 N330 F334 L492 R496 F500	L299-I498 HydrophobicContact CB-CG2 4.23Å; L299-I498 HydrophobicContact CD2-CG2 4.1Å; N330-I498 HydrophobicContact CB-CD1 4.26Å; F334-I498 HydrophobicContact CB-CD1 3.92Å; F334-I498 HydrophobicContact CD2-CG1 4.41Å; F334-I498 HydrophobicContact CD2-CG2 4.31Å; F334-I498 HydrophobicContact CE2-CG2 4.34Å; F334-I498 HydrophobicContact CG-CD1 4.23Å; L492-I498 HydrophobicContact CB-CG1 4Å; L492-I498 PolarHBondContact O-N 3.32Å; R496-I498 PolarHBondContact O-N 3.3Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 HydrophobicContact CG2-CD2 4.06Å; I498-F500 HydrophobicContact CG2-CE2 3.8Å; I498-F500 HydrophobicContact CG2-CZ 4.41Å; I498-F500 PolarHBondContact O-N 3.34Å
499	N	83.2	Confident	83.2	Confident	76 Å²	76	26 Å²	26	41%	0.406	14%	0.14	S	C	.	.			trans	-87.1	65.1	-162.8	-67.4	-59.5	0	0	0	112.5	L299 G497 G501 L502 L503	L299-N499 WeakPolarHBondContact O-CB 3.28Å; L299-N499 PolarHBondContact O-N 3.36Å; G497-N499 PolarHBondContact O-N 3.33Å; G497-N499 VanDerWaalsContact O-N 3.11Å; G497-N499 PolarHBondContact O-ND2 2.89Å; G497-N499 PolarHBondContact O-OD1 3.08Å; N499-G501 PolarHBondContact O-N 3.08Å; N499-G501 VanDerWaalsContact O-N 3.12Å; N499-L502 HydrophobicContact CB-CB 3.98Å; N499-L502 WeakPolarHBondContact O-CB 3.43Å; N499-L502 PolarHBondContact O-N 3.21Å; N499-L503 PolarHBondContact O-N 2.92Å
500	F	83.7	Confident	82	Confident	1 Å²	1	26 Å²	26	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-53.7	-32.5	175.3	-82.5	-74.2	0	0	0	113.8	L299 I447 V450 I451 L454 L489 T493 I498 L502 L503 T504	L299-F500 HydrophobicContact CD1-CE1 4.26Å; L299-F500 HydrophobicContact CD2-CB 4.37Å; L299-F500 HydrophobicContact CD2-CD1 3.64Å; L299-F500 HydrophobicContact CD2-CD2 4.42Å; L299-F500 HydrophobicContact CD2-CE1 3.92Å; L299-F500 HydrophobicContact CD2-CG 3.9Å; L299-F500 HydrophobicContact CD2-CZ 4.43Å; I447-F500 HydrophobicContact CB-CB 4.3Å; I447-F500 HydrophobicContact CD1-CB 4.1Å; I447-F500 HydrophobicContact CG1-CB 3.97Å; I447-F500 HydrophobicContact CG2-CB 3.47Å; I447-F500 VanDerWaalsContact CG2-CB 3.47Å; I447-F500 HydrophobicContact CG2-CD2 4.45Å; I447-F500 HydrophobicContact CG2-CG 4.03Å; V450-F500 HydrophobicContact CG1-CD1 3.69Å; V450-F500 HydrophobicContact CG1-CE1 3.61Å; I451-F500 HydrophobicContact CD1-CD2 4.4Å; I451-F500 HydrophobicContact CD1-CE2 4.48Å; I451-F500 HydrophobicContact CG1-CD2 4.41Å; I451-F500 HydrophobicContact CG1-CE2 4.21Å; I451-F500 HydrophobicContact CG1-CZ 4.38Å; L454-F500 HydrophobicContact CD1-CE1 4.03Å; L454-F500 HydrophobicContact CD1-CZ 4.22Å; L489-F500 HydrophobicContact CD1-CE2 3.73Å; L489-F500 HydrophobicContact CD1-CZ 3.85Å; L489-F500 HydrophobicContact CD2-CZ 4.26Å; L489-F500 HydrophobicContact CG-CE2 4.26Å; L489-F500 HydrophobicContact CG-CZ 4.35Å; T493-F500 HydrophobicContact CG2-CD2 4.15Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 HydrophobicContact CG2-CD2 4.06Å; I498-F500 HydrophobicContact CG2-CE2 3.8Å; I498-F500 HydrophobicContact CG2-CZ 4.41Å; I498-F500 PolarHBondContact O-N 3.34Å; F500-L502 VanDerWaalsContact C-N 3.32Å; F500-L502 PolarHBondContact O-N 3.47Å; F500-L503 HydrophobicContact CD1-CD2 4.49Å; F500-L503 PolarHBondContact O-N 3.27Å; F500-T504 WeakPolarHBondContact O-CG2 3.42Å; F500-T504 PolarHBondContact O-N 3.12Å; F500-T504 PolarHBondContact O-OG1 2.93Å
501	G	81.5	Confident	81	Confident	33 Å²	33	29.9 Å²	29.9	34%	0.34	16%	0.16	S	C	.	.	H	α-helix	trans	-59.2	-42.1	174.7	0	0	0	0	0	113	N499 T504 D505	N499-G501 PolarHBondContact O-N 3.08Å; N499-G501 VanDerWaalsContact O-N 3.12Å; G501-T504 WeakPolarHBondContact CA-OG1 3.49Å; G501-T504 PolarHBondContact O-N 3.37Å; G501-T504 PolarHBondContact O-OG1 3.16Å; G501-D505 PolarHBondContact O-N 2.98Å; G501-D505 VanDerWaalsContact O-N 3.09Å
502	L	81.6	Confident	79.8	Confident	12 Å²	12	32.5 Å²	32.5	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-47.9	175.5	-172.9	61.1	0	0	0	110.5	I298 N499 F500 T504 D505 V506 M526 Y540 V543	I298-L502 HydrophobicContact CG2-CD2 4.33Å; I298-L502 HydrophobicContact CG2-CG 4.01Å; I298-L502 WeakPolarHBondContact O-CD2 3.2Å; N499-L502 HydrophobicContact CB-CB 3.98Å; N499-L502 WeakPolarHBondContact O-CB 3.43Å; N499-L502 PolarHBondContact O-N 3.21Å; F500-L502 VanDerWaalsContact C-N 3.32Å; F500-L502 PolarHBondContact O-N 3.47Å; L502-T504 PolarHBondContact O-N 3.33Å; L502-D505 PolarHBondContact O-N 3.27Å; L502-V506 VanDerWaalsContact O-CG2 3.32Å; L502-V506 WeakPolarHBondContact O-CG2 3.48Å; L502-V506 PolarHBondContact O-N 3.26Å; L502-M526 HydrophobicContact CD1-CE 3.53Å; L502-M526 HydrophobicContact CD2-CE 4.28Å; L502-M526 HydrophobicContact CG-CE 3.99Å; L502-Y540 HydrophobicContact CD1-CD1 3.44Å; L502-Y540 VanDerWaalsContact CD1-CD1 3.44Å; L502-Y540 HydrophobicContact CD1-CE1 3.38Å; L502-V543 HydrophobicContact CD1-CG2 4.08Å; L502-V543 HydrophobicContact CD2-CG1 3.99Å; L502-V543 HydrophobicContact CD2-CG2 3.69Å
503	L	83.4	Confident	78.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-45.7	176	-178.6	68.6	0	0	0	111.9	M295 I298 L299 M345 N499 F500 D505 V506 L507	M295-L503 HydrophobicContact CB-CD1 4.07Å; M295-L503 HydrophobicContact CG-CD1 3.81Å; M295-L503 HydrophobicContact SD-CD1 4.4Å; I298-L503 HydrophobicContact CB-CD1 4.44Å; I298-L503 HydrophobicContact CG2-CB 4.25Å; I298-L503 HydrophobicContact CG2-CD1 4.15Å; L299-L503 HydrophobicContact CD1-CD2 3.94Å; L299-L503 HydrophobicContact CD2-CB 3.6Å; L299-L503 HydrophobicContact CD2-CD2 3.78Å; L299-L503 HydrophobicContact CD2-CG 4.27Å; L299-L503 HydrophobicContact CG-CB 4.03Å; L299-L503 HydrophobicContact CG-CD2 3.81Å; L299-L503 HydrophobicContact CG-CG 4.36Å; M345-L503 HydrophobicContact CE-CD2 4.16Å; N499-L503 PolarHBondContact O-N 2.92Å; F500-L503 HydrophobicContact CD1-CD2 4.49Å; F500-L503 PolarHBondContact O-N 3.27Å; L503-D505 PolarHBondContact O-N 2.73Å; L503-V506 PolarHBondContact O-N 2.9Å; L503-L507 HydrophobicContact CD1-CD1 3.96Å; L503-L507 HydrophobicContact CD1-CD2 4.13Å; L503-L507 HydrophobicContact CD1-CG 3.79Å; L503-L507 HydrophobicContact CD2-CD1 4.16Å; L503-L507 HydrophobicContact CG-CD1 3.76Å; L503-L507 HydrophobicContact CG-CG 3.99Å; L503-L507 WeakPolarHBondContact O-CB 3.24Å; L503-L507 VanDerWaalsContact O-CG 3.32Å; L503-L507 WeakPolarHBondContact O-CG 3.42Å; L503-L507 PolarHBondContact O-N 3.16Å
504	T	83.6	Confident	77.1	Confident	13 Å²	13	35.6 Å²	35.6	8%	0.08	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-29.8	179.2	54	0	0	0	0	113.1	I447 V450 F500 G501 L502 Y508	I447-T504 HydrophobicContact CG1-CG2 4.16Å; V450-T504 HydrophobicContact CG2-CG2 4.28Å; F500-T504 WeakPolarHBondContact O-CG2 3.42Å; F500-T504 PolarHBondContact O-N 3.12Å; F500-T504 PolarHBondContact O-OG1 2.93Å; G501-T504 WeakPolarHBondContact CA-OG1 3.49Å; G501-T504 PolarHBondContact O-N 3.37Å; G501-T504 PolarHBondContact O-OG1 3.16Å; L502-T504 PolarHBondContact O-N 3.33Å; T504-Y508 VanDerWaalsContact O-CB 3.31Å; T504-Y508 WeakPolarHBondContact O-CB 3.38Å; T504-Y508 PolarHBondContact O-N 2.93Å
505	D	78.2	Confident	75.8	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-48.7	171.6	-102.2	23.9	0	0	0	111.6	R358 G501 L502 L503 Y508 W509 R535 Y540	R358-D505 IonicContact CZ-OD1 2.73Å; R358-D505 IonicContact NH1-OD1 2.93Å; R358-D505 PolarHBondContact NH1-OD1 2.81Å; R358-D505 IonicContact NH2-OD1 3.69Å; R358-D505 PolarHBondContact NH2-OD1 3.46Å; G501-D505 PolarHBondContact O-N 2.98Å; G501-D505 VanDerWaalsContact O-N 3.09Å; L502-D505 PolarHBondContact O-N 3.27Å; L503-D505 PolarHBondContact O-N 2.73Å; D505-Y508 PolarHBondContact O-N 3.24Å; D505-W509 WeakPolarHBondContact O-CB 3.41Å; D505-W509 PolarHBondContact O-N 3.16Å; D505-R535 IonicContact OD1-NH1 2.81Å; D505-R535 PolarHBondContact OD1-NH1 3.31Å; D505-R535 IonicContact OD2-CZ 2.91Å; D505-R535 IonicContact OD2-NH1 2.7Å; D505-R535 PolarHBondContact OD2-NH1 3.23Å; D505-Y540 PolarHBondContact OD2-OH 2.73Å; D505-Y540 VanDerWaalsContact OD2-OH 3.05Å
506	V	78.6	Confident	74.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-39.8	-178.4	-178.2	0	0	0	0	112.1	I298 L502 L503 Y508 G510 F519 L522 M526 L529	I298-V506 HydrophobicContact CD1-CB 4.31Å; I298-V506 HydrophobicContact CD1-CG1 3.7Å; I298-V506 HydrophobicContact CG2-CB 4.34Å; I298-V506 HydrophobicContact CG2-CG2 3.99Å; L502-V506 VanDerWaalsContact O-CG2 3.32Å; L502-V506 WeakPolarHBondContact O-CG2 3.48Å; L502-V506 PolarHBondContact O-N 3.26Å; L503-V506 PolarHBondContact O-N 2.9Å; V506-Y508 VanDerWaalsContact C-N 3.35Å; V506-G510 WeakPolarHBondContact O-CA 3.31Å; V506-G510 PolarHBondContact O-N 3Å; V506-F519 HydrophobicContact CG1-CE2 3.92Å; V506-F519 HydrophobicContact CG1-CZ 4.13Å; V506-L522 HydrophobicContact CG1-CD2 3.7Å; V506-L522 HydrophobicContact CG1-CG 3.96Å; V506-M526 HydrophobicContact CG1-SD 4.32Å; V506-M526 HydrophobicContact CG2-CE 3.4Å; V506-M526 HydrophobicContact CG2-SD 3.48Å; V506-M526 WeakPolarHBondContact CG2-SD 3.45Å; V506-L529 HydrophobicContact CG2-CD1 4.13Å
507	L	82.5	Confident	73.8	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-36.1	176	-66.3	-179.8	0	0	0	112	M295 F347 L350 C354 L503 F519	M295-L507 HydrophobicContact CG-CD2 4.47Å; M295-L507 HydrophobicContact SD-CD2 4.28Å; F347-L507 HydrophobicContact CD2-CD2 3.78Å; F347-L507 HydrophobicContact CE2-CD2 3.4Å; F347-L507 HydrophobicContact CZ-CD2 4.39Å; L350-L507 HydrophobicContact CB-CD1 3.72Å; C354-L507 HydrophobicContact CB-CB 4.3Å; L503-L507 HydrophobicContact CD1-CD1 3.96Å; L503-L507 HydrophobicContact CD1-CD2 4.13Å; L503-L507 HydrophobicContact CD1-CG 3.79Å; L503-L507 HydrophobicContact CD2-CD1 4.16Å; L503-L507 HydrophobicContact CG-CD1 3.76Å; L503-L507 HydrophobicContact CG-CG 3.99Å; L503-L507 WeakPolarHBondContact O-CB 3.24Å; L503-L507 VanDerWaalsContact O-CG 3.32Å; L503-L507 WeakPolarHBondContact O-CG 3.42Å; L503-L507 PolarHBondContact O-N 3.16Å; L507-F519 HydrophobicContact CD2-CE1 4.49Å; L507-F519 HydrophobicContact CD2-CE2 4.01Å; L507-F519 HydrophobicContact CD2-CZ 3.67Å
508	Y	78.4	Confident	73.7	Confident	14 Å²	14	45.5 Å²	45.5	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-54.7	177.7	-178.3	-99.8	0	0	0	112.3	R358 K362 T504 D505 V506	R358-Y508 HydrophobicContact CB-CD2 3.69Å; R358-Y508 HydrophobicContact CB-CE2 3.32Å; R358-Y508 HydrophobicContact CB-CG 4.44Å; R358-Y508 VanDerWaalsContact CD-CG 3.45Å; R358-Y508 HydrophobicContact CG-CD2 4.18Å; R358-Y508 HydrophobicContact CG-CE2 4.2Å; K362-Y508 WeakPolarHBondContact CE-OH 3.46Å; K362-Y508 PolarHBondContact NZ-OH 2.98Å; T504-Y508 VanDerWaalsContact O-CB 3.31Å; T504-Y508 WeakPolarHBondContact O-CB 3.38Å; T504-Y508 PolarHBondContact O-N 2.93Å; D505-Y508 PolarHBondContact O-N 3.24Å; V506-Y508 VanDerWaalsContact C-N 3.35Å
509	W	73	Confident	73.3	Confident	27 Å²	27	45.9 Å²	45.9	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-75.5	-34.1	-177.4	-70.1	122.6	0	0	0	112.4	D505 N511 E512 C513 L529 P530	D505-W509 WeakPolarHBondContact O-CB 3.41Å; D505-W509 PolarHBondContact O-N 3.16Å; W509-N511 PolarHBondContact O-N 3.37Å; W509-E512 WeakPolarHBondContact CZ3-OE2 3.11Å; W509-E512 WeakPolarHBondContact O-CA 3.46Å; W509-E512 WeakPolarHBondContact O-CB 3.34Å; W509-E512 PolarHBondContact O-N 2.89Å; W509-C513 PolarHBondContact O-N 3.45Å; W509-L529 HydrophobicContact CB-CD2 3.69Å; W509-P530 HydrophobicContact CD2-CB 4.4Å; W509-P530 HydrophobicContact CD2-CG 4.45Å; W509-P530 HydrophobicContact CE3-CB 3.88Å; W509-P530 HydrophobicContact CE3-CG 3.85Å; W509-P530 HydrophobicContact CZ3-CB 4.04Å; W509-P530 HydrophobicContact CZ3-CG 4.37Å
510	G	68.2	Low	73	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-33.9	176.1	0	0	0	0	0	112.5	V506 E512 C513 L514 L522	V506-G510 WeakPolarHBondContact O-CA 3.31Å; V506-G510 PolarHBondContact O-N 3Å; G510-E512 PolarHBondContact O-N 3.15Å; G510-C513 CarbonylContact O-C 3.58Å; G510-C513 PolarHBondContact O-N 3.42Å; G510-L514 WeakPolarHBondContact O-CB 3.2Å; G510-L514 WeakPolarHBondContact O-CD1 3.49Å; G510-L514 WeakPolarHBondContact O-CG 2.49Å; G510-L514 PolarHBondContact O-N 2.92Å; G510-L522 VanDerWaalsContact CA-CD2 3.4Å
511	N	69.7	Low	72.6	Confident	82 Å²	82	46 Å²	46	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-23.7	173.8	-165	16.7	0	0	0	113.3	T351 C355 W509	T351-N511 HydrophobicContact CG2-CB 3.99Å; C355-N511 PolarHBondContact SG-ND2 3.37Å; W509-N511 PolarHBondContact O-N 3.37Å
512	E	64.9	Low	72.2	Confident	100 Å²	100	44.7 Å²	44.7	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-82.2	-38	171.1	-57.7	-177.3	166.1	0	0	111	W509 G510	W509-E512 WeakPolarHBondContact CZ3-OE2 3.11Å; W509-E512 WeakPolarHBondContact O-CA 3.46Å; W509-E512 WeakPolarHBondContact O-CB 3.34Å; W509-E512 PolarHBondContact O-N 2.89Å; G510-E512 PolarHBondContact O-N 3.15Å
513	C	60.2	Low	71.8	Confident	24 Å²	24	44.1 Å²	44.1	16%	0.162	22%	0.215	C	C	.	.	H	α-helix	trans	-78	-34.6	-178.7	-56.3	0	0	0	0	115.4	W509 G510 R515 S516	W509-C513 PolarHBondContact O-N 3.45Å; G510-C513 CarbonylContact O-C 3.58Å; G510-C513 PolarHBondContact O-N 3.42Å; C513-R515 PolarHBondContact O-N 3.3Å; C513-S516 PolarHBondContact O-N 2.81Å; C513-S516 PolarHBondContact O-OG 2.79Å
514	L	60	Low	71.4	Confident	48 Å²	48	44.7 Å²	44.7	25%	0.251	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.8	-169.7	-81.7	165.7	0	0	0	114.5	F347 G510 S516 R517 F519	F347-L514 HydrophobicContact CE1-CD1 4.25Å; F347-L514 HydrophobicContact CZ-CD1 3.59Å; G510-L514 WeakPolarHBondContact O-CB 3.2Å; G510-L514 WeakPolarHBondContact O-CD1 3.49Å; G510-L514 WeakPolarHBondContact O-CG 2.49Å; G510-L514 PolarHBondContact O-N 2.92Å; L514-S516 PolarHBondContact O-N 2.89Å; L514-R517 WeakPolarHBondContact CD2-O 3.22Å; L514-F519 HydrophobicContact CD1-CD2 4.12Å; L514-F519 HydrophobicContact CD2-CB 3.96Å; L514-F519 HydrophobicContact CD2-CD2 4.2Å
515	R	59.2	Low	70.9	Confident	235 Å²	235	46.1 Å²	46.1	89%	0.887	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-4.5	168.6	-63.5	-178.5	175.6	-166.7	-2.9	113.9	C513	C513-R515 PolarHBondContact O-N 3.3Å
516	S	55.8	Low	70.7	Confident	92 Å²	92	45.7 Å²	45.7	64%	0.643	22%	0.223	S	C	*	.	S	Bend	trans	-139.7	-9.4	-173.1	65.6	0	0	0	0	116.3	C513 L514	C513-S516 PolarHBondContact O-N 2.81Å; C513-S516 PolarHBondContact O-OG 2.79Å; L514-S516 PolarHBondContact O-N 2.89Å
517	R	63.3	Low	70.3	Confident	128 Å²	128	48 Å²	48	48%	0.483	24%	0.239	S	C	.	.	S	Bend	trans	-150.9	158.3	-170.4	-61.1	-176.5	-170.6	-154.4	-0	111.2	L514 N521	L514-R517 WeakPolarHBondContact CD2-O 3.22Å; R517-N521 HydrophobicContact CB-CB 4.3Å
518	S	74.4	Confident	69.9	Low	55 Å²	55	50 Å²	50	39%	0.385	25%	0.251	S	S	.	.			trans	-68	158.2	167.7	62	0	0	0	0	111.4	Q520 N521 L522	S518-Q520 VanDerWaalsContact C-N 3.31Å; S518-Q520 PolarHBondContact O-N 2.95Å; S518-N521 PolarHBondContact O-N 3.38Å; S518-N521 WeakPolarHBondContact OG-CB 3.28Å; S518-N521 PolarHBondContact OG-N 3.43Å; S518-N521 PolarHBondContact OG-ND2 2.97Å; S518-N521 PolarHBondContact OG-OD1 3.4Å; S518-L522 PolarHBondContact O-N 2.84Å
519	F	76.4	Confident	69.7	Low	10 Å²	10	49.6 Å²	49.6	4%	0.044	25%	0.25	C	S	.	.	H	α-helix	trans	-68.5	-31	175.4	-168.9	-114.5	0	0	0	112.3	A294 M295 I298 F347 V506 L507 L514 N521 L522 A523	A294-F519 HydrophobicContact CB-CD1 3.6Å; A294-F519 HydrophobicContact CB-CE1 3.96Å; M295-F519 HydrophobicContact CB-CE1 4.47Å; M295-F519 HydrophobicContact CG-CD1 4.5Å; M295-F519 HydrophobicContact CG-CE1 3.56Å; M295-F519 HydrophobicContact CG-CZ 4.15Å; I298-F519 HydrophobicContact CD1-CE1 3.71Å; I298-F519 HydrophobicContact CD1-CE2 4.29Å; I298-F519 HydrophobicContact CD1-CZ 3.43Å; I298-F519 VanDerWaalsContact CD1-CZ 3.43Å; F347-F519 HydrophobicContact CD2-CD1 4.24Å; F347-F519 HydrophobicContact CD2-CE1 4.24Å; F347-F519 HydrophobicContact CD2-CG 4.49Å; F347-F519 HydrophobicContact CD2-CZ 4.43Å; F347-F519 AromaticContact CE2-CD1 3.98Å; F347-F519 HydrophobicContact CE2-CD1 3.98Å; F347-F519 AromaticContact CE2-CD2 3.68Å; F347-F519 HydrophobicContact CE2-CD2 3.68Å; F347-F519 HydrophobicContact CE2-CE1 4Å; F347-F519 AromaticContact CE2-CE2 3.66Å; F347-F519 HydrophobicContact CE2-CE2 3.66Å; F347-F519 AromaticContact CE2-CG 3.84Å; F347-F519 HydrophobicContact CE2-CG 3.84Å; F347-F519 AromaticContact CE2-CZ 3.84Å; F347-F519 HydrophobicContact CE2-CZ 3.84Å; F347-F519 HydrophobicContact CZ-CD2 4.06Å; F347-F519 HydrophobicContact CZ-CE2 4.34Å; F347-F519 HydrophobicContact CZ-CG 4.35Å; V506-F519 HydrophobicContact CG1-CE2 3.92Å; V506-F519 HydrophobicContact CG1-CZ 4.13Å; L507-F519 HydrophobicContact CD2-CE1 4.49Å; L507-F519 HydrophobicContact CD2-CE2 4.01Å; L507-F519 HydrophobicContact CD2-CZ 3.67Å; L514-F519 HydrophobicContact CD1-CD2 4.12Å; L514-F519 HydrophobicContact CD2-CB 3.96Å; L514-F519 HydrophobicContact CD2-CD2 4.2Å; F519-N521 PolarHBondContact O-N 3.1Å; F519-L522 HydrophobicContact CD2-CB 4.49Å; F519-L522 HydrophobicContact CD2-CD2 4.03Å; F519-L522 HydrophobicContact CE2-CD2 3.98Å; F519-L522 WeakPolarHBondContact O-CA 3.33Å; F519-L522 WeakPolarHBondContact O-CB 3.48Å; F519-L522 PolarHBondContact O-N 2.93Å; F519-A523 PolarHBondContact O-N 2.88Å
520	Q	76.5	Confident	69.5	Low	8 Å²	8	50.3 Å²	50.3	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-45.4	170.7	-170.5	56.5	68.1	0	0	111.7	E297 S518 L522 A523 D524 V567	E297-Q520 PolarHBondContact OE2-NE2 3.48Å; S518-Q520 VanDerWaalsContact C-N 3.31Å; S518-Q520 PolarHBondContact O-N 2.95Å; Q520-L522 PolarHBondContact O-N 2.92Å; Q520-L522 VanDerWaalsContact O-N 3.1Å; Q520-A523 PolarHBondContact O-N 2.83Å; Q520-D524 PolarHBondContact NE2-OD2 2.89Å; Q520-D524 PolarHBondContact O-N 2.96Å; Q520-V567 HydrophobicContact CB-CG2 4.26Å; Q520-V567 HydrophobicContact CG-CG2 3.73Å
521	N	75.1	Confident	69.7	Low	72 Å²	72	55.3 Å²	55.3	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-17.9	175.6	-70.6	3.2	0	0	0	113.4	R517 S518 F519 N525	R517-N521 HydrophobicContact CB-CB 4.3Å; S518-N521 PolarHBondContact O-N 3.38Å; S518-N521 WeakPolarHBondContact OG-CB 3.28Å; S518-N521 PolarHBondContact OG-N 3.43Å; S518-N521 PolarHBondContact OG-ND2 2.97Å; S518-N521 PolarHBondContact OG-OD1 3.4Å; F519-N521 PolarHBondContact O-N 3.1Å; N521-N525 VanDerWaalsContact O-CB 3.29Å; N521-N525 WeakPolarHBondContact O-CB 3.27Å; N521-N525 PolarHBondContact O-N 2.97Å; N521-N525 VanDerWaalsContact O-N 3.1Å
522	L	73.2	Confident	69.7	Low	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-86.5	-37.2	172.6	-174.9	64.1	0	0	0	111.9	V506 G510 S518 F519 Q520 N525 M526 V528 L529	V506-L522 HydrophobicContact CG1-CD2 3.7Å; V506-L522 HydrophobicContact CG1-CG 3.96Å; G510-L522 VanDerWaalsContact CA-CD2 3.4Å; S518-L522 PolarHBondContact O-N 2.84Å; F519-L522 HydrophobicContact CD2-CB 4.49Å; F519-L522 HydrophobicContact CD2-CD2 4.03Å; F519-L522 HydrophobicContact CE2-CD2 3.98Å; F519-L522 WeakPolarHBondContact O-CA 3.33Å; F519-L522 WeakPolarHBondContact O-CB 3.48Å; F519-L522 PolarHBondContact O-N 2.93Å; Q520-L522 PolarHBondContact O-N 2.92Å; Q520-L522 VanDerWaalsContact O-N 3.1Å; L522-N525 CarbonylContact O-C 3.51Å; L522-N525 VanDerWaalsContact O-C 3.27Å; L522-N525 PolarHBondContact O-N 3.36Å; L522-M526 PolarHBondContact O-N 3.02Å; L522-V528 HydrophobicContact CD1-CG2 3.42Å; L522-V528 VanDerWaalsContact CD1-CG2 3.42Å; L522-L529 HydrophobicContact CD1-CD2 3.92Å; L522-L529 HydrophobicContact CD1-CG 4.35Å
523	A	74.3	Confident	70.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-35.1	174.1	0	0	0	0	0	112.8	A294 I298 F519 Q520 R549	A294-A523 HydrophobicContact CB-CB 3.89Å; I298-A523 HydrophobicContact CD1-CB 3.79Å; I298-A523 HydrophobicContact CG1-CB 3.74Å; F519-A523 PolarHBondContact O-N 2.88Å; Q520-A523 PolarHBondContact O-N 2.83Å; A523-R549 VanDerWaalsContact O-CD 3.26Å; A523-R549 WeakPolarHBondContact O-CD 3.32Å; A523-R549 PolarHBondContact O-NH1 3.4Å
524	D	74.2	Confident	70.8	Confident	13 Å²	13	57.3 Å²	57.3	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-76.6	-41.4	169.7	-74.4	-64.4	0	0	0	111.8	Q520 P546 R553	Q520-D524 PolarHBondContact NE2-OD2 2.89Å; Q520-D524 PolarHBondContact O-N 2.96Å; D524-P546 VanDerWaalsContact O-CA 3.27Å; D524-P546 WeakPolarHBondContact O-CA 3.44Å; D524-R553 VanDerWaalsContact CG-NH2 3.29Å; D524-R553 IonicContact OD1-CZ 2.88Å; D524-R553 VanDerWaalsContact OD1-CZ 3.26Å; D524-R553 IonicContact OD1-NE 2.66Å; D524-R553 PolarHBondContact OD1-NE 3.29Å; D524-R553 IonicContact OD1-NH2 2.66Å; D524-R553 PolarHBondContact OD1-NH2 2.73Å; D524-R553 IonicContact OD2-CZ 3.84Å; D524-R553 IonicContact OD2-NE 2.79Å; D524-R553 PolarHBondContact OD2-NE 3.14Å; D524-R553 IonicContact OD2-NH2 2.78Å; D524-R553 PolarHBondContact OD2-NH2 3.16Å; D524-R553 VanDerWaalsContact OD2-NH2 3.16Å
525	N	73.9	Confident	71.3	Confident	42 Å²	42	57.4 Å²	57.4	23%	0.225	30%	0.297	C	S	.	.			trans	-117.3	73.9	-176.8	-160.5	-18.2	0	0	0	114.6	N521 L522 S527 V528	N521-N525 VanDerWaalsContact O-CB 3.29Å; N521-N525 WeakPolarHBondContact O-CB 3.27Å; N521-N525 PolarHBondContact O-N 2.97Å; N521-N525 VanDerWaalsContact O-N 3.1Å; L522-N525 CarbonylContact O-C 3.51Å; L522-N525 VanDerWaalsContact O-C 3.27Å; L522-N525 PolarHBondContact O-N 3.36Å; N525-S527 VanDerWaalsContact C-N 3.29Å; N525-S527 PolarHBondContact O-N 3.46Å; N525-S527 PolarHBondContact OD1-N 3.22Å; N525-S527 PolarHBondContact OD1-OG 3.02Å; N525-V528 VanDerWaalsContact O-CG2 3.31Å; N525-V528 WeakPolarHBondContact O-CG2 3.36Å
526	M	72.7	Confident	71.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-67.5	-15.4	178.5	-64.6	-85.4	-71.2	0	0	115.2	I298 L502 V506 L522 V528 L529 W532 P546	I298-M526 HydrophobicContact CG1-SD 4.5Å; L502-M526 HydrophobicContact CD1-CE 3.53Å; L502-M526 HydrophobicContact CD2-CE 4.28Å; L502-M526 HydrophobicContact CG-CE 3.99Å; V506-M526 HydrophobicContact CG1-SD 4.32Å; V506-M526 HydrophobicContact CG2-CE 3.4Å; V506-M526 HydrophobicContact CG2-SD 3.48Å; V506-M526 WeakPolarHBondContact CG2-SD 3.45Å; L522-M526 PolarHBondContact O-N 3.02Å; M526-V528 PolarHBondContact O-N 3.05Å; M526-L529 HydrophobicContact CB-CD1 4.36Å; M526-L529 HydrophobicContact CE-CD1 4.04Å; M526-L529 WeakPolarHBondContact O-CB 3.46Å; M526-L529 VanDerWaalsContact O-CD1 3.26Å; M526-L529 WeakPolarHBondContact O-CD1 3.41Å; M526-L529 WeakPolarHBondContact O-CG 3.46Å; M526-L529 PolarHBondContact O-N 3.43Å; M526-L529 HydrophobicContact SD-CD1 4.17Å; M526-W532 HydrophobicContact CB-CZ3 4.13Å; M526-P546 HydrophobicContact CB-CG 4.12Å
527	S	71	Confident	72.3	Confident	48 Å²	48	50.4 Å²	50.4	34%	0.336	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-73.4	-12.9	-178.4	63.5	0	0	0	0	113.4	N525 L529	N525-S527 VanDerWaalsContact C-N 3.29Å; N525-S527 PolarHBondContact O-N 3.46Å; N525-S527 PolarHBondContact OD1-N 3.22Å; N525-S527 PolarHBondContact OD1-OG 3.02Å; S527-L529 PolarHBondContact O-N 3.26Å
528	V	73.2	Confident	72.5	Confident	45 Å²	45	51.9 Å²	51.9	27%	0.273	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-74.7	-4.6	175.8	-47	0	0	0	0	113.6	L522 N525 M526	L522-V528 HydrophobicContact CD1-CG2 3.42Å; L522-V528 VanDerWaalsContact CD1-CG2 3.42Å; N525-V528 VanDerWaalsContact O-CG2 3.31Å; N525-V528 WeakPolarHBondContact O-CG2 3.36Å; M526-V528 PolarHBondContact O-N 3.05Å
529	L	74	Confident	71.9	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.288	C	S	.	.	S	Bend	trans	-68.5	133.1	180	-67.1	168.7	0	0	0	111.1	V506 W509 L522 M526 S527 N531 W532	V506-L529 HydrophobicContact CG2-CD1 4.13Å; W509-L529 HydrophobicContact CB-CD2 3.69Å; L522-L529 HydrophobicContact CD1-CD2 3.92Å; L522-L529 HydrophobicContact CD1-CG 4.35Å; M526-L529 HydrophobicContact CB-CD1 4.36Å; M526-L529 HydrophobicContact CE-CD1 4.04Å; M526-L529 WeakPolarHBondContact O-CB 3.46Å; M526-L529 VanDerWaalsContact O-CD1 3.26Å; M526-L529 WeakPolarHBondContact O-CD1 3.41Å; M526-L529 WeakPolarHBondContact O-CG 3.46Å; M526-L529 PolarHBondContact O-N 3.43Å; M526-L529 HydrophobicContact SD-CD1 4.17Å; S527-L529 PolarHBondContact O-N 3.26Å; L529-N531 PolarHBondContact O-N 3.47Å; L529-W532 VanDerWaalsContact O-CB 3.24Å; L529-W532 WeakPolarHBondContact O-CB 3.21Å; L529-W532 PolarHBondContact O-N 2.84Å
530	P	70.3	Confident	71.5	Confident	43 Å²	43	56.8 Å²	56.8	28%	0.279	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	130.6	177.4	-27.4	36.4	0	0	0	113	W509 W532	W509-P530 HydrophobicContact CD2-CB 4.4Å; W509-P530 HydrophobicContact CD2-CG 4.45Å; W509-P530 HydrophobicContact CE3-CB 3.88Å; W509-P530 HydrophobicContact CE3-CG 3.85Å; W509-P530 HydrophobicContact CZ3-CB 4.04Å; W509-P530 HydrophobicContact CZ3-CG 4.37Å; P530-W532 VanDerWaalsContact C-N 3.27Å; P530-W532 PolarHBondContact O-N 3.19Å
531	N	70.6	Confident	70.6	Confident	105 Å²	105	63.3 Å²	63.3	56%	0.561	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	24.8	-175.1	-42.5	-90.2	0	0	0	114.4	L529 E533 A534 R535	L529-N531 PolarHBondContact O-N 3.47Å; N531-E533 VanDerWaalsContact C-N 3.28Å; N531-E533 PolarHBondContact O-N 3.49Å; N531-A534 PolarHBondContact O-N 2.73Å; N531-A534 VanDerWaalsContact O-N 3.16Å; N531-R535 PolarHBondContact O-N 3.3Å
532	W	70.3	Confident	69.9	Low	24 Å²	24	66.2 Å²	66.2	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-43.6	-52.3	173.6	166.7	-105	0	0	0	112.5	M526 L529 P530 A534 R535 K536 Y540 M545	M526-W532 HydrophobicContact CB-CZ3 4.13Å; L529-W532 VanDerWaalsContact O-CB 3.24Å; L529-W532 WeakPolarHBondContact O-CB 3.21Å; L529-W532 PolarHBondContact O-N 2.84Å; P530-W532 VanDerWaalsContact C-N 3.27Å; P530-W532 PolarHBondContact O-N 3.19Å; W532-A534 VanDerWaalsContact C-N 3.3Å; W532-A534 PolarHBondContact O-N 2.91Å; W532-R535 CarbonylContact O-C 3.49Å; W532-R535 PolarHBondContact O-N 2.79Å; W532-K536 HydrophobicContact CZ2-CB 4.18Å; W532-K536 PolarHBondContact O-N 3.19Å; W532-Y540 HydrophobicContact CD2-CD2 4.45Å; W532-Y540 AromaticContact CE3-CD2 3.49Å; W532-Y540 HydrophobicContact CE3-CD2 3.49Å; W532-Y540 VanDerWaalsContact CE3-CD2 3.49Å; W532-Y540 AromaticContact CE3-CE2 3.59Å; W532-Y540 HydrophobicContact CE3-CE2 3.59Å; W532-Y540 AromaticContact CH2-CD2 3.95Å; W532-Y540 HydrophobicContact CH2-CD2 3.95Å; W532-Y540 HydrophobicContact CH2-CG 4.4Å; W532-Y540 AromaticContact CZ3-CD2 3.19Å; W532-Y540 HydrophobicContact CZ3-CD2 3.19Å; W532-Y540 AromaticContact CZ3-CE2 3.66Å; W532-Y540 HydrophobicContact CZ3-CE2 3.66Å; W532-Y540 AromaticContact CZ3-CG 3.88Å; W532-Y540 HydrophobicContact CZ3-CG 3.88Å; W532-M545 HydrophobicContact CH2-SD 4.13Å; W532-M545 HydrophobicContact CZ2-CE 3.98Å; W532-M545 HydrophobicContact CZ2-SD 3.71Å
533	E	72.7	Confident	69.5	Low	155 Å²	155	66.8 Å²	66.8	72%	0.724	34%	0.337	S	S	*	.	H	α-helix	trans	-59.2	-37.5	-176.2	-61	175	151.4	0	0	113.3	N531 R535	N531-E533 VanDerWaalsContact C-N 3.28Å; N531-E533 PolarHBondContact O-N 3.49Å; E533-R535 VanDerWaalsContact C-N 3.34Å
534	A	75.6	Confident	68.9	Low	69 Å²	69	67.1 Å²	67.1	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-82.3	-11.1	178.2	0	0	0	0	0	113.6	N531 W532	N531-A534 PolarHBondContact O-N 2.73Å; N531-A534 VanDerWaalsContact O-N 3.16Å; W532-A534 VanDerWaalsContact C-N 3.3Å; W532-A534 PolarHBondContact O-N 2.91Å
535	R	70.6	Confident	68.1	Low	49 Å²	49	71 Å²	71	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-104.1	-28.9	179.1	-71.9	-173.6	-179.4	-127.1	-12.1	113.6	D505 N531 W532 E533 D537 K538 Y539 Y540	D505-R535 IonicContact OD1-NH1 2.81Å; D505-R535 PolarHBondContact OD1-NH1 3.31Å; D505-R535 IonicContact OD2-CZ 2.91Å; D505-R535 IonicContact OD2-NH1 2.7Å; D505-R535 PolarHBondContact OD2-NH1 3.23Å; N531-R535 PolarHBondContact O-N 3.3Å; W532-R535 CarbonylContact O-C 3.49Å; W532-R535 PolarHBondContact O-N 2.79Å; E533-R535 VanDerWaalsContact C-N 3.34Å; R535-D537 VanDerWaalsContact C-N 3.31Å; R535-D537 PolarHBondContact O-N 3.05Å; R535-K538 PolarHBondContact O-N 3.44Å; R535-Y539 HydrophobicContact CB-CD2 4.08Å; R535-Y539 HydrophobicContact CG-CD2 4.11Å; R535-Y539 PolarHBondContact O-N 3.12Å; R535-Y540 HydrophobicContact CB-CD2 4.07Å; R535-Y540 HydrophobicContact CB-CE2 3.62Å
536	K	69.2	Low	67.1	Low	82 Å²	82	69.3 Å²	69.3	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-50.7	-50	-173.4	76.5	-172.2	-178.9	177.1	0	111.7	W532 K538 Y540 Q541	W532-K536 HydrophobicContact CZ2-CB 4.18Å; W532-K536 PolarHBondContact O-N 3.19Å; K536-K538 PolarHBondContact O-N 3.2Å; K536-K538 VanDerWaalsContact O-N 3.17Å; K536-Y540 CarbonylContact O-C 3.57Å; K536-Y540 VanDerWaalsContact O-C 3.29Å; K536-Y540 WeakPolarHBondContact O-CA 3.19Å; K536-Y540 PolarHBondContact O-N 3.05Å; K536-Q541 PolarHBondContact O-N 3.48Å
537	D	67.8	Low	66.2	Low	99 Å²	99	75.6 Å²	75.6	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-79.5	2.2	-174.9	-49.4	-57.2	0	0	0	113.9	R535 Q541	R535-D537 VanDerWaalsContact C-N 3.31Å; R535-D537 PolarHBondContact O-N 3.05Å; D537-Q541 PolarHBondContact O-NE2 2.73Å
538	K	65.8	Low	65.6	Low	159 Å²	159	73.9 Å²	73.9	69%	0.691	37%	0.368	S	S	*	.	H	α-helix	trans	-124.7	-33.1	-177.3	-70.1	176.9	-179.7	170.1	0	114	R535 K536	R535-K538 PolarHBondContact O-N 3.44Å; K536-K538 PolarHBondContact O-N 3.2Å; K536-K538 VanDerWaalsContact O-N 3.17Å
539	Y	63	Low	65.5	Low	160 Å²	160	71.8 Å²	71.8	63%	0.627	36%	0.355	S	S	*	.	H	α-helix	trans	-124.4	-22.4	-174.3	-61.1	-78.9	0	0	0	113.1	R535	R535-Y539 HydrophobicContact CB-CD2 4.08Å; R535-Y539 HydrophobicContact CG-CD2 4.11Å; R535-Y539 PolarHBondContact O-N 3.12Å
540	Y	66.9	Low	65.3	Low	8 Å²	8	76.1 Å²	76.1	3%	0.031	38%	0.375	C	S	.	.			trans	-121.1	12.1	-170.7	-43.4	-44.2	0	0	0	114.4	L502 D505 W532 R535 K536 N542 V543	L502-Y540 HydrophobicContact CD1-CD1 3.44Å; L502-Y540 VanDerWaalsContact CD1-CD1 3.44Å; L502-Y540 HydrophobicContact CD1-CE1 3.38Å; D505-Y540 PolarHBondContact OD2-OH 2.73Å; D505-Y540 VanDerWaalsContact OD2-OH 3.05Å; W532-Y540 HydrophobicContact CD2-CD2 4.45Å; W532-Y540 AromaticContact CE3-CD2 3.49Å; W532-Y540 HydrophobicContact CE3-CD2 3.49Å; W532-Y540 VanDerWaalsContact CE3-CD2 3.49Å; W532-Y540 AromaticContact CE3-CE2 3.59Å; W532-Y540 HydrophobicContact CE3-CE2 3.59Å; W532-Y540 AromaticContact CH2-CD2 3.95Å; W532-Y540 HydrophobicContact CH2-CD2 3.95Å; W532-Y540 HydrophobicContact CH2-CG 4.4Å; W532-Y540 AromaticContact CZ3-CD2 3.19Å; W532-Y540 HydrophobicContact CZ3-CD2 3.19Å; W532-Y540 AromaticContact CZ3-CE2 3.66Å; W532-Y540 HydrophobicContact CZ3-CE2 3.66Å; W532-Y540 AromaticContact CZ3-CG 3.88Å; W532-Y540 HydrophobicContact CZ3-CG 3.88Å; R535-Y540 HydrophobicContact CB-CD2 4.07Å; R535-Y540 HydrophobicContact CB-CE2 3.62Å; K536-Y540 CarbonylContact O-C 3.57Å; K536-Y540 VanDerWaalsContact O-C 3.29Å; K536-Y540 WeakPolarHBondContact O-CA 3.19Å; K536-Y540 PolarHBondContact O-N 3.05Å; Y540-N542 PolarHBondContact O-N 3.36Å; Y540-V543 HydrophobicContact CD1-CG2 4.36Å; Y540-V543 WeakPolarHBondContact O-CB 3.31Å; Y540-V543 PolarHBondContact O-N 3.28Å
541	Q	58.3	Low	65.1	Low	145 Å²	145	76 Å²	76	68%	0.678	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-34.5	-177.4	-67.6	-176.1	-11.8	0	0	114.4	K536 D537	K536-Q541 PolarHBondContact O-N 3.48Å; D537-Q541 PolarHBondContact O-NE2 2.73Å
542	N	59.7	Low	65.1	Low	132 Å²	132	71.3 Å²	71.3	71%	0.706	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	4.6	-178.2	-62.1	-44.2	0	0	0	113.5	N301 Y540	N301-N542 PolarHBondContact ND2-O 2.94Å; Y540-N542 PolarHBondContact O-N 3.36Å
543	V	64.6	Low	65.4	Low	19 Å²	19	71 Å²	71	12%	0.115	35%	0.346	C	S	.	.	S	Bend	trans	-82	136	-177.7	-180	0	0	0	0	109.6	L502 Y540 M545	L502-V543 HydrophobicContact CD1-CG2 4.08Å; L502-V543 HydrophobicContact CD2-CG1 3.99Å; L502-V543 HydrophobicContact CD2-CG2 3.69Å; Y540-V543 HydrophobicContact CD1-CG2 4.36Å; Y540-V543 WeakPolarHBondContact O-CB 3.31Å; Y540-V543 PolarHBondContact O-N 3.28Å; V543-M545 PolarHBondContact O-N 3.05Å
544	W	63.4	Low	65.4	Low	7 Å²	7	68.6 Å²	68.6	3%	0.027	34%	0.335	C	S	.	.			trans	-67.4	115.3	178.2	-157.9	13.6	0	0	0	109.4	N301 I303 A321 R323 R549 I552	N301-W544 WeakPolarHBondContact OD1-CB 3.29Å; N301-W544 PolarHBondContact OD1-N 3.12Å; I303-W544 HydrophobicContact CB-CZ3 4.45Å; I303-W544 HydrophobicContact CD1-CE3 4.35Å; I303-W544 HydrophobicContact CD1-CH2 3.71Å; I303-W544 HydrophobicContact CD1-CZ3 3.54Å; I303-W544 HydrophobicContact CG1-CE3 4.36Å; I303-W544 HydrophobicContact CG1-CH2 4.37Å; I303-W544 HydrophobicContact CG1-CZ3 3.72Å; A321-W544 WeakPolarHBondContact O-CZ3 3.34Å; R323-W544 HydrophobicContact CB-CD2 4.28Å; R323-W544 HydrophobicContact CB-CG 4.4Å; R323-W544 HydrophobicContact CB-CZ2 4.16Å; W544-R549 HydrophobicContact CB-CG 4.33Å; W544-R549 HydrophobicContact CD2-CG 4.29Å; W544-R549 HydrophobicContact CE3-CG 4.22Å; W544-R549 HydrophobicContact CG-CG 4.32Å; W544-R549 PolarHBondContact O-NE 3.26Å; W544-I552 HydrophobicContact CH2-CB 4.36Å; W544-I552 HydrophobicContact CH2-CD1 4.3Å; W544-I552 HydrophobicContact CH2-CG2 3.89Å; W544-I552 HydrophobicContact CZ2-CB 4.24Å; W544-I552 HydrophobicContact CZ2-CD1 3.41Å; W544-I552 VanDerWaalsContact CZ2-CD1 3.41Å; W544-I552 HydrophobicContact CZ2-CG1 4.39Å; W544-I552 HydrophobicContact CZ2-CG2 4.1Å
545	M	56.5	Low	65.1	Low	93 Å²	93	65.9 Å²	65.9	46%	0.458	31%	0.31	S	S	.	.			trans	-62.8	148.9	-170.4	-69.1	-71.6	-75	0	0	112.3	W532 V543 E547 G548 R549	W532-M545 HydrophobicContact CH2-SD 4.13Å; W532-M545 HydrophobicContact CZ2-CE 3.98Å; W532-M545 HydrophobicContact CZ2-SD 3.71Å; V543-M545 PolarHBondContact O-N 3.05Å; M545-E547 VanDerWaalsContact C-N 3.33Å; M545-E547 PolarHBondContact O-N 3.1Å; M545-G548 WeakPolarHBondContact O-CA 3.49Å; M545-G548 PolarHBondContact O-N 3Å; M545-R549 PolarHBondContact O-N 3.38Å; M545-R549 VanDerWaalsContact O-N 3.08Å
546	P	51.9	Low	65.3	Low	7 Å²	7	63.6 Å²	63.6	5%	0.045	30%	0.302	C	S	.	.	H	α-helix	trans	-46.1	-48.7	-178.1	-36.6	40.4	0	0	0	116.2	D524 M526 G548 R549 Q550	D524-P546 VanDerWaalsContact O-CA 3.27Å; D524-P546 WeakPolarHBondContact O-CA 3.44Å; M526-P546 HydrophobicContact CB-CG 4.12Å; P546-G548 VanDerWaalsContact C-N 3.27Å; P546-G548 PolarHBondContact O-N 3.17Å; P546-R549 PolarHBondContact O-N 3.24Å; P546-R549 VanDerWaalsContact O-N 3.12Å; P546-Q550 PolarHBondContact O-N 3.42Å
547	E	54.7	Low	65.6	Low	133 Å²	133	61.6 Å²	61.6	62%	0.621	30%	0.295	S	S	*	.	H	α-helix	trans	-63.4	-35.4	-178.1	-68.9	153.6	-152.9	0	0	111.3	M545 N551	M545-E547 VanDerWaalsContact C-N 3.33Å; M545-E547 PolarHBondContact O-N 3.1Å; E547-N551 WeakPolarHBondContact O-CB 3.45Å; E547-N551 PolarHBondContact O-N 3.47Å; E547-N551 PolarHBondContact O-ND2 3.16Å; E547-N551 VanDerWaalsContact O-ND2 3.12Å
548	G	58.6	Low	65.9	Low	12 Å²	12	62.7 Å²	62.7	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-43.5	171.9	0	0	0	0	0	112.6	M545 P546 I552	M545-G548 WeakPolarHBondContact O-CA 3.49Å; M545-G548 PolarHBondContact O-N 3Å; P546-G548 VanDerWaalsContact C-N 3.27Å; P546-G548 PolarHBondContact O-N 3.17Å; G548-I552 VanDerWaalsContact O-CB 3.29Å; G548-I552 WeakPolarHBondContact O-CB 3.36Å; G548-I552 WeakPolarHBondContact O-CG1 3.11Å; G548-I552 PolarHBondContact O-N 2.86Å
549	R	70.3	Confident	65.9	Low	1 Å²	1	59 Å²	59	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-53.3	-179	-71.5	-178.1	174.1	-122.4	-13.7	112.3	E297 N301 I303 A523 W544 M545 P546 I552 R553	E297-R549 PolarHBondContact O-NH1 3.05Å; E297-R549 VanDerWaalsContact O-NH1 3.16Å; E297-R549 PolarHBondContact O-NH2 2.93Å; E297-R549 VanDerWaalsContact O-NH2 3.11Å; N301-R549 PolarHBondContact OD1-NH2 2.91Å; N301-R549 VanDerWaalsContact OD1-NH2 3.14Å; I303-R549 VanDerWaalsContact CD1-O 3.32Å; I303-R549 WeakPolarHBondContact CD1-O 3Å; A523-R549 VanDerWaalsContact O-CD 3.26Å; A523-R549 WeakPolarHBondContact O-CD 3.32Å; A523-R549 PolarHBondContact O-NH1 3.4Å; W544-R549 HydrophobicContact CB-CG 4.33Å; W544-R549 HydrophobicContact CD2-CG 4.29Å; W544-R549 HydrophobicContact CE3-CG 4.22Å; W544-R549 HydrophobicContact CG-CG 4.32Å; W544-R549 PolarHBondContact O-NE 3.26Å; M545-R549 PolarHBondContact O-N 3.38Å; M545-R549 VanDerWaalsContact O-N 3.08Å; P546-R549 PolarHBondContact O-N 3.24Å; P546-R549 VanDerWaalsContact O-N 3.12Å; R549-I552 PolarHBondContact O-N 3.3Å; R549-R553 WeakPolarHBondContact O-CB 3.2Å; R549-R553 PolarHBondContact O-N 2.93Å
550	Q	69.9	Low	66.2	Low	96 Å²	96	53 Å²	53	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-42.5	-177.9	-174.6	173.2	-14.4	0	0	111.9	P546 I552 R553 Q554	P546-Q550 PolarHBondContact O-N 3.42Å; Q550-I552 PolarHBondContact O-N 2.82Å; Q550-R553 PolarHBondContact O-N 2.9Å; Q550-Q554 WeakPolarHBondContact O-CG 3.22Å; Q550-Q554 PolarHBondContact O-N 3.48Å
551	N	66.9	Low	66.1	Low	42 Å²	42	57.4 Å²	57.4	23%	0.225	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-39.1	177.6	-70.1	-8.3	0	0	0	111.8	I265 E547 Q554 L555	I265-N551 HydrophobicContact CD1-CB 4.22Å; E547-N551 WeakPolarHBondContact O-CB 3.45Å; E547-N551 PolarHBondContact O-N 3.47Å; E547-N551 PolarHBondContact O-ND2 3.16Å; E547-N551 VanDerWaalsContact O-ND2 3.12Å; N551-Q554 WeakPolarHBondContact O-CB 3.44Å; N551-Q554 PolarHBondContact O-N 3.39Å; N551-L555 WeakPolarHBondContact O-CG 3.44Å; N551-L555 PolarHBondContact O-N 3.42Å
552	I	69.6	Low	66.6	Low	6 Å²	6	57.2 Å²	57.2	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-79	-26.8	-178.9	-67	171.7	0	0	0	111.5	F270 I303 W544 G548 R549 Q550 Q554 L555 L556	F270-I552 HydrophobicContact CD1-CD1 4.47Å; F270-I552 HydrophobicContact CD1-CG2 4.43Å; F270-I552 HydrophobicContact CD2-CG2 3.89Å; F270-I552 HydrophobicContact CE1-CG2 4.45Å; F270-I552 HydrophobicContact CE2-CG2 3.89Å; F270-I552 HydrophobicContact CG-CG2 4.15Å; F270-I552 HydrophobicContact CZ-CG2 4.17Å; I303-I552 HydrophobicContact CD1-CB 3.85Å; I303-I552 HydrophobicContact CD1-CG2 3.78Å; W544-I552 HydrophobicContact CH2-CB 4.36Å; W544-I552 HydrophobicContact CH2-CD1 4.3Å; W544-I552 HydrophobicContact CH2-CG2 3.89Å; W544-I552 HydrophobicContact CZ2-CB 4.24Å; W544-I552 HydrophobicContact CZ2-CD1 3.41Å; W544-I552 VanDerWaalsContact CZ2-CD1 3.41Å; W544-I552 HydrophobicContact CZ2-CG1 4.39Å; W544-I552 HydrophobicContact CZ2-CG2 4.1Å; G548-I552 VanDerWaalsContact O-CB 3.29Å; G548-I552 WeakPolarHBondContact O-CB 3.36Å; G548-I552 WeakPolarHBondContact O-CG1 3.11Å; G548-I552 PolarHBondContact O-N 2.86Å; R549-I552 PolarHBondContact O-N 3.3Å; Q550-I552 PolarHBondContact O-N 2.82Å; I552-Q554 VanDerWaalsContact C-N 3.33Å; I552-L555 HydrophobicContact CG1-CD1 4.01Å; I552-L555 PolarHBondContact O-N 3.36Å; I552-L556 HydrophobicContact CG2-CD1 4.29Å; I552-L556 WeakPolarHBondContact O-CB 3.5Å; I552-L556 VanDerWaalsContact O-CD1 3.32Å; I552-L556 WeakPolarHBondContact O-CD1 3.4Å; I552-L556 WeakPolarHBondContact O-CG 3.39Å; I552-L556 PolarHBondContact O-N 2.73Å
553	R	76.1	Confident	66.9	Low	16 Å²	16	51.6 Å²	51.6	6%	0.06	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-43.7	164.1	-162.8	-178.3	-60.5	-88.2	-1.2	110.6	E297 I303 I304 D524 R549 Q550 L556 L557 A565	E297-R553 IonicContact OE1-CZ 2.65Å; E297-R553 VanDerWaalsContact OE1-CZ 3.31Å; E297-R553 IonicContact OE1-NH1 3.82Å; E297-R553 PolarHBondContact OE1-NH1 2.98Å; E297-R553 IonicContact OE1-NH2 3.18Å; E297-R553 PolarHBondContact OE1-NH2 3.05Å; E297-R553 IonicContact OE2-CZ 2.69Å; E297-R553 IonicContact OE2-NH1 3.99Å; E297-R553 IonicContact OE2-NH2 2.77Å; E297-R553 PolarHBondContact OE2-NH2 3.43Å; I303-R553 HydrophobicContact CG2-CB 4.25Å; I303-R553 HydrophobicContact CG2-CG 4.16Å; I304-R553 PolarHBondContact O-NH1 3.1Å; I304-R553 VanDerWaalsContact O-NH1 3.17Å; D524-R553 VanDerWaalsContact CG-NH2 3.29Å; D524-R553 IonicContact OD1-CZ 2.88Å; D524-R553 VanDerWaalsContact OD1-CZ 3.26Å; D524-R553 IonicContact OD1-NE 2.66Å; D524-R553 PolarHBondContact OD1-NE 3.29Å; D524-R553 IonicContact OD1-NH2 2.66Å; D524-R553 PolarHBondContact OD1-NH2 2.73Å; D524-R553 IonicContact OD2-CZ 3.84Å; D524-R553 IonicContact OD2-NE 2.79Å; D524-R553 PolarHBondContact OD2-NE 3.14Å; D524-R553 IonicContact OD2-NH2 2.78Å; D524-R553 PolarHBondContact OD2-NH2 3.16Å; D524-R553 VanDerWaalsContact OD2-NH2 3.16Å; R549-R553 WeakPolarHBondContact O-CB 3.2Å; R549-R553 PolarHBondContact O-N 2.93Å; Q550-R553 PolarHBondContact O-N 2.9Å; R553-L556 PolarHBondContact O-N 3.39Å; R553-L557 VanDerWaalsContact O-CG 3.3Å; R553-L557 WeakPolarHBondContact O-CG 3.35Å; R553-L557 PolarHBondContact O-N 3.06Å; R553-A565 HydrophobicContact CG-CB 4.2Å
554	Q	73.5	Confident	66.8	Low	106 Å²	106	53.7 Å²	53.7	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-41	174.8	-69.9	174.3	-11	0	0	113.1	Q550 N551 I552 L557 K558	Q550-Q554 WeakPolarHBondContact O-CG 3.22Å; Q550-Q554 PolarHBondContact O-N 3.48Å; N551-Q554 WeakPolarHBondContact O-CB 3.44Å; N551-Q554 PolarHBondContact O-N 3.39Å; I552-Q554 VanDerWaalsContact C-N 3.33Å; Q554-L557 PolarHBondContact O-N 2.75Å; Q554-K558 WeakPolarHBondContact O-CB 3.42Å; Q554-K558 PolarHBondContact O-N 3.43Å
555	L	70.4	Confident	66.5	Low	11 Å²	11	53.8 Å²	53.8	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-35.8	177.2	-72.2	159.6	0	0	0	112.5	A262 N551 I552 K558 N559	A262-L555 HydrophobicContact CB-CD1 3.72Å; N551-L555 WeakPolarHBondContact O-CG 3.44Å; N551-L555 PolarHBondContact O-N 3.42Å; I552-L555 HydrophobicContact CG1-CD1 4.01Å; I552-L555 PolarHBondContact O-N 3.36Å; L555-K558 PolarHBondContact O-N 2.83Å; L555-N559 WeakPolarHBondContact O-CB 3.17Å; L555-N559 VanDerWaalsContact O-CG 3.22Å; L555-N559 PolarHBondContact O-N 3.48Å; L555-N559 PolarHBondContact O-OD1 2.78Å
556	L	73.8	Confident	66.6	Low	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-47.4	171.8	-74	157.9	0	0	0	111.4	M260 F270 I303 A321 I552 R553 K558 N559 D560	M260-L556 HydrophobicContact CE-CD2 3.89Å; F270-L556 HydrophobicContact CE2-CD2 3.99Å; F270-L556 HydrophobicContact CE2-CG 4.28Å; I303-L556 HydrophobicContact CB-CD1 4.39Å; I303-L556 HydrophobicContact CD1-CD1 4.45Å; I303-L556 HydrophobicContact CG2-CD1 3.96Å; A321-L556 HydrophobicContact CB-CD1 3.44Å; A321-L556 VanDerWaalsContact CB-CD1 3.44Å; A321-L556 HydrophobicContact CB-CD2 3.91Å; A321-L556 HydrophobicContact CB-CG 4.2Å; I552-L556 HydrophobicContact CG2-CD1 4.29Å; I552-L556 WeakPolarHBondContact O-CB 3.5Å; I552-L556 VanDerWaalsContact O-CD1 3.32Å; I552-L556 WeakPolarHBondContact O-CD1 3.4Å; I552-L556 WeakPolarHBondContact O-CG 3.39Å; I552-L556 PolarHBondContact O-N 2.73Å; R553-L556 PolarHBondContact O-N 3.39Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 2.93Å; L556-N559 PolarHBondContact O-N 3.2Å; L556-D560 WeakPolarHBondContact O-CA 3.5Å; L556-D560 WeakPolarHBondContact O-CB 3.3Å; L556-D560 PolarHBondContact O-N 2.91Å
557	L	74.9	Confident	66.5	Low	41 Å²	41	51.9 Å²	51.9	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-30.5	178	-60.9	171.9	0	0	0	112.8	R553 Q554 P561 L563 A565	R553-L557 VanDerWaalsContact O-CG 3.3Å; R553-L557 WeakPolarHBondContact O-CG 3.35Å; R553-L557 PolarHBondContact O-N 3.06Å; Q554-L557 PolarHBondContact O-N 2.75Å; L557-P561 WeakPolarHBondContact O-CA 3.48Å; L557-L563 HydrophobicContact CD2-CB 4.15Å; L557-L563 VanDerWaalsContact CD2-O 3.22Å; L557-L563 WeakPolarHBondContact CD2-O 3.32Å; L557-A565 HydrophobicContact CD1-CB 3.97Å
558	K	74.5	Confident	65.8	Low	121 Å²	121	50.6 Å²	50.6	53%	0.526	26%	0.257	S	S	.	.	H	α-helix	trans	-72.2	-40.3	174.9	-180	174.1	171.3	176.3	0	112.5	E264 Q554 L555 L556	E264-K558 IonicContact OE1-NZ 3.93Å; E264-K558 PolarHBondContact OE1-NZ 2.96Å; E264-K558 IonicContact OE2-NZ 3.9Å; E264-K558 PolarHBondContact OE2-NZ 3.3Å; Q554-K558 WeakPolarHBondContact O-CB 3.42Å; Q554-K558 PolarHBondContact O-N 3.43Å; L555-K558 PolarHBondContact O-N 2.83Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 2.93Å
559	N	66.8	Low	64.4	Low	82 Å²	82	55.3 Å²	55.3	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-80.5	-38.6	-178.7	-69.4	1.2	0	0	0	112.3	M260 L555 L556 P561	M260-N559 HydrophobicContact CE-CB 4.5Å; L555-N559 WeakPolarHBondContact O-CB 3.17Å; L555-N559 VanDerWaalsContact O-CG 3.22Å; L555-N559 PolarHBondContact O-N 3.48Å; L555-N559 PolarHBondContact O-OD1 2.78Å; L556-N559 PolarHBondContact O-N 3.2Å; N559-P561 WeakPolarHBondContact O-CD 3.22Å
560	D	69.1	Low	62.4	Low	35 Å²	35	59.2 Å²	59.2	19%	0.187	31%	0.305	C	S	.	.			trans	-118.2	76	-179.5	-62.8	-71.8	0	0	0	109.9	K272 L556 H562 L563	K272-D560 VanDerWaalsContact CE-OD2 3.24Å; K272-D560 WeakPolarHBondContact CE-OD2 3.44Å; K272-D560 IonicContact NZ-OD1 2.79Å; K272-D560 PolarHBondContact NZ-OD1 2.82Å; K272-D560 IonicContact NZ-OD2 3.69Å; K272-D560 PolarHBondContact NZ-OD2 3.49Å; L556-D560 WeakPolarHBondContact O-CA 3.5Å; L556-D560 WeakPolarHBondContact O-CB 3.3Å; L556-D560 PolarHBondContact O-N 2.91Å; D560-H562 PolarHBondContact O-N 3.17Å; D560-L563 HydrophobicContact CB-CB 4.4Å; D560-L563 HydrophobicContact CB-CD1 3.62Å; D560-L563 HydrophobicContact CB-CG 3.72Å; D560-L563 WeakPolarHBondContact O-CB 3.36Å; D560-L563 PolarHBondContact O-N 2.77Å
561	P	65.4	Low	60.3	Low	100 Å²	100	60.7 Å²	60.7	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-0.6	-175.4	27.8	-37	0	0	0	114.9	L557 N559	L557-P561 WeakPolarHBondContact O-CA 3.48Å; N559-P561 WeakPolarHBondContact O-CD 3.22Å
562	H	68.5	Low	58.2	Low	141 Å²	141	68.5 Å²	68.5	65%	0.653	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.8	169.4	-57.7	-56.6	0	0	0	113.1	K307 P308 D560	K307-H562 WeakPolarHBondContact CA-O 3.22Å; K307-H562 HydrophobicContact CG-CB 4.27Å; K307-H562 WeakPolarHBondContact CG-O 3.48Å; P308-H562 WeakPolarHBondContact CD-O 3.48Å; D560-H562 PolarHBondContact O-N 3.17Å
563	L	64.3	Low	56	Low	13 Å²	13	75 Å²	75	7%	0.068	38%	0.38	C	S	.	.			trans	-75.6	148.4	171	-63.6	179.7	0	0	0	110	F306 A319 L557 D560	F306-L563 CarbonylContact O-C 3.59Å; A319-L563 HydrophobicContact CB-CD1 3.51Å; A319-L563 HydrophobicContact CB-CD2 3.96Å; A319-L563 HydrophobicContact CB-CG 4.41Å; L557-L563 HydrophobicContact CD2-CB 4.15Å; L557-L563 VanDerWaalsContact CD2-O 3.22Å; L557-L563 WeakPolarHBondContact CD2-O 3.32Å; D560-L563 HydrophobicContact CB-CB 4.4Å; D560-L563 HydrophobicContact CB-CD1 3.62Å; D560-L563 HydrophobicContact CB-CG 3.72Å; D560-L563 WeakPolarHBondContact O-CB 3.36Å; D560-L563 PolarHBondContact O-N 2.77Å
564	K	62.4	Low	53.4	Low	64 Å²	64	82.9 Å²	82.9	28%	0.278	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-116	145.6	162.5	-68.7	-159.2	168.5	-158.6	0	110.4	S305 F306 P308 E568	S305-K564 WeakPolarHBondContact CB-O 3.32Å; F306-K564 PolarHBondContact N-O 3.29Å; F306-K564 VanDerWaalsContact N-O 3.09Å; F306-K564 PolarHBondContact O-N 2.78Å; P308-K564 HydrophobicContact CG-CB 4.25Å; P308-K564 HydrophobicContact CG-CD 3.56Å; P308-K564 HydrophobicContact CG-CG 3.56Å; K564-E568 HydrophobicContact CB-CB 4.32Å; K564-E568 HydrophobicContact CD-CB 3.92Å; K564-E568 VanDerWaalsContact CD-OE2 3.23Å; K564-E568 WeakPolarHBondContact CD-OE2 3.32Å; K564-E568 VanDerWaalsContact CE-OE2 3.29Å; K564-E568 WeakPolarHBondContact CE-OE2 3.35Å; K564-E568 HydrophobicContact CG-CB 4.46Å; K564-E568 VanDerWaalsContact CG-OE2 3.31Å; K564-E568 WeakPolarHBondContact CG-OE2 3.36Å; K564-E568 IonicContact NZ-OE2 3.6Å
565	A	58.6	Low	51.1	Low	8 Å²	8	85.2 Å²	85.2	7%	0.066	43%	0.432	C	S	.	.			trans	-70.2	149.8	158.1	0	0	0	0	0	108.2	R553 L557 V567 E568	R553-A565 HydrophobicContact CG-CB 4.2Å; L557-A565 HydrophobicContact CD1-CB 3.97Å; A565-V567 PolarHBondContact O-N 3.09Å; A565-E568 PolarHBondContact O-N 2.78Å; A565-E568 VanDerWaalsContact O-N 3.12Å
566	P	58	Low	48.9	Very low	0 Å²	0	89.8 Å²	89.8	0%	0	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-41.1	-53.4	173.1	-30.4	35.1	0	0	0	113.1	E290 V293 F306 E568 M569	E290-P566 HydrophobicContact CB-CB 4.05Å; E290-P566 VanDerWaalsContact CD-C 3.42Å; E290-P566 VanDerWaalsContact CD-CA 3.47Å; E290-P566 HydrophobicContact CG-CB 4.07Å; E290-P566 WeakPolarHBondContact OE1-CA 3.36Å; E290-P566 WeakPolarHBondContact OE1-CB 3.25Å; E290-P566 WeakPolarHBondContact OE2-CA 3.35Å; E290-P566 WeakPolarHBondContact OE2-CB 3.47Å; E290-P566 VanDerWaalsContact OE2-O 3.14Å; V293-P566 HydrophobicContact CG1-CB 4.47Å; V293-P566 HydrophobicContact CG1-CG 4.09Å; F306-P566 HydrophobicContact CE1-CB 4.36Å; F306-P566 HydrophobicContact CE1-CG 4.21Å; P566-E568 PolarHBondContact O-N 2.79Å; P566-M569 PolarHBondContact O-N 2.88Å
567	V	49.6	Very low	46.5	Very low	60 Å²	60	94.4 Å²	94.4	36%	0.364	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-59.8	-13.8	-174	-165.8	0	0	0	0	115.1	Q520 A565 M569 S570	Q520-V567 HydrophobicContact CB-CG2 4.26Å; Q520-V567 HydrophobicContact CG-CG2 3.73Å; A565-V567 PolarHBondContact O-N 3.09Å; V567-M569 VanDerWaalsContact C-N 3.3Å; V567-M569 PolarHBondContact O-N 2.79Å; V567-S570 PolarHBondContact O-N 3.21Å; V567-S570 PolarHBondContact O-OG 3.38Å
568	E	40.1	Very low	44.3	Very low	107 Å²	107	98.9 Å²	98.9	50%	0.5	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-75.1	-10.6	179.9	-70.7	-156.4	166.2	0	0	115.6	K564 A565 P566	K564-E568 HydrophobicContact CB-CB 4.32Å; K564-E568 HydrophobicContact CD-CB 3.92Å; K564-E568 VanDerWaalsContact CD-OE2 3.23Å; K564-E568 WeakPolarHBondContact CD-OE2 3.32Å; K564-E568 VanDerWaalsContact CE-OE2 3.29Å; K564-E568 WeakPolarHBondContact CE-OE2 3.35Å; K564-E568 HydrophobicContact CG-CB 4.46Å; K564-E568 VanDerWaalsContact CG-OE2 3.31Å; K564-E568 WeakPolarHBondContact CG-OE2 3.36Å; K564-E568 IonicContact NZ-OE2 3.6Å; A565-E568 PolarHBondContact O-N 2.78Å; A565-E568 VanDerWaalsContact O-N 3.12Å; P566-E568 PolarHBondContact O-N 2.79Å
569	M	30.5	Very low	42.2	Very low	110 Å²	110	96.6 Å²	96.6	54%	0.542	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-101	2.2	176.4	-75.1	-81.1	-166.1	0	0	113.4	P308 P566 V567 I571	P308-M569 HydrophobicContact CB-CE 4.19Å; P308-M569 HydrophobicContact CG-CE 4.43Å; P566-M569 PolarHBondContact O-N 2.88Å; V567-M569 VanDerWaalsContact C-N 3.3Å; V567-M569 PolarHBondContact O-N 2.79Å; M569-I571 VanDerWaalsContact C-N 3.28Å; M569-I571 PolarHBondContact O-N 3.01Å
570	S	27.8	Very low	40.4	Very low	84 Å²	84	96.4 Å²	96.4	59%	0.587	53%	0.532	S	S	*	.			trans	-75.3	78.3	179	71.9	0	0	0	0	112.5	V567	V567-S570 PolarHBondContact O-N 3.21Å; V567-S570 PolarHBondContact O-OG 3.38Å
571	I	24.4	Very low	38.4	Very low	126 Å²	126	99 Å²	99	65%	0.646	56%	0.558	S	S	*	*			trans	27.2	130.8	143.2	-47.9	175.5	0	0	0	116.5	M569 L573	M569-I571 VanDerWaalsContact C-N 3.28Å; M569-I571 PolarHBondContact O-N 3.01Å; I571-L573 HydrophobicContact CB-CG 4.28Å; I571-L573 HydrophobicContact CG2-CD2 4.35Å; I571-L573 HydrophobicContact CG2-CG 4Å; I571-L573 PolarHBondContact O-N 3.27Å
572	K	23.2	Very low	36.8	Very low	207 Å²	207	102.6 Å²	102.6	90%	0.9	57%	0.566	S	S	*	*			trans	-62.9	68.4	158	-75.3	-178.5	176.1	174.5	0	111.5	H574	K572-H574 PolarHBondContact O-N 3.06Å
573	L	23.5	Very low	35	Very low	141 Å²	141	106.2 Å²	106.2	74%	0.738	57%	0.574	S	S	*	*			trans	-67.4	104.7	165.6	-78.8	171.8	0	0	0	106.6	I571 L575	I571-L573 HydrophobicContact CB-CG 4.28Å; I571-L573 HydrophobicContact CG2-CD2 4.35Å; I571-L573 HydrophobicContact CG2-CG 4Å; I571-L573 PolarHBondContact O-N 3.27Å; L573-L575 VanDerWaalsContact C-N 3.3Å; L573-L575 PolarHBondContact O-N 3.34Å
574	H	23.1	Very low	33.3	Very low	182 Å²	182	111.9 Å²	111.9	84%	0.843	61%	0.609	S	S	*	*			trans	-55	100.8	160.8	-92.1	-93.2	0	0	0	107.7	K572 P576	K572-H574 PolarHBondContact O-N 3.06Å; H574-P576 WeakPolarHBondContact O-CD 3.46Å; H574-P576 VanDerWaalsContact O-N 3.12Å
575	L	23.9	Very low	31.9	Very low	156 Å²	156	120.7 Å²	120.7	82%	0.817	64%	0.641	S	S	*	*			trans	-51	119.6	161.3	-80	163.1	0	0	0	106.7	L573 C577	L573-L575 VanDerWaalsContact C-N 3.3Å; L573-L575 PolarHBondContact O-N 3.34Å; L575-C577 PolarHBondContact O-N 2.82Å
576	P	24	Very low	30.4	Very low	107 Å²	107	124.4 Å²	124.4	70%	0.695	67%	0.671	S	S	*	*			trans	-61.7	110.2	172.4	25	-31.6	0	0	0	106.7	H574 T578	H574-P576 WeakPolarHBondContact O-CD 3.46Å; H574-P576 VanDerWaalsContact O-N 3.12Å; P576-T578 PolarHBondContact O-N 2.95Å
577	C	24.6	Very low	29	Very low	97 Å²	97	130.6 Å²	130.6	66%	0.655	71%	0.709	S	S	*	*			trans	-51.4	141.5	-175.4	-178.5	0	0	0	0	110.1	L575 A579 S580	L575-C577 PolarHBondContact O-N 2.82Å; C577-A579 PolarHBondContact O-N 3.14Å; C577-S580 PolarHBondContact O-N 3.06Å
578	T	28.5	Very low	28.3	Very low	136 Å²	136	134.5 Å²	134.5	83%	0.834	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	14.1	-170.3	48.5	0	0	0	0	115.3	P576	P576-T578 PolarHBondContact O-N 2.95Å
579	A	29.6	Very low	27.8	Very low	72 Å²	72	139.9 Å²	139.9	60%	0.595	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-14.3	174.5	0	0	0	0	0	114.4	C577	C577-A579 PolarHBondContact O-N 3.14Å
580	S	29.1	Very low	28.1	Very low	79 Å²	79	139.8 Å²	139.8	55%	0.552	76%	0.758	S	S	*	*	S	Bend	trans	-88.9	-23.4	-175.6	55.8	0	0	0	0	114.7	C577 Q582	C577-S580 PolarHBondContact O-N 3.06Å; S580-Q582 PolarHBondContact O-N 3.15Å; S580-Q582 VanDerWaalsContact O-N 3.16Å
581	A	28	Very low	28.3	Very low	89 Å²	89	141 Å²	141	74%	0.736	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-69	-10.2	179.7	0	0	0	0	0	114.2	R583	A581-R583 PolarHBondContact O-N 3.07Å
582	Q	31.4	Very low	28.6	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-88.1	5.6	-170.4	-129.2	172.7	6.7	0	0	114.9	S580	S580-Q582 PolarHBondContact O-N 3.15Å; S580-Q582 VanDerWaalsContact O-N 3.16Å
583	R	30.4	Very low	29.2	Very low	217 Å²	217	142.7 Å²	142.7	82%	0.819	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-109.5	3.3	-173	-67.5	-172	178.9	-178.3	-0.2	116.3	A581	A581-R583 PolarHBondContact O-N 3.07Å
584	V	29.8	Very low	29.6	Very low	133 Å²	133	142.7 Å²	142.7	81%	0.806	76%	0.759	S	S	*	*	S	Bend	trans	-116.1	29.4	-176.1	-157.5	0	0	0	0	113
585	R	31.2	Very low	29.9	Very low	249 Å²	249	143.1 Å²	143.1	94%	0.94	75%	0.753	S	S	*	*			trans	-140.9	68.6	165.4	-73.3	-167.1	178.4	-174.3	-0	110.1
586	A	27.5	Very low	30.4	Very low	86 Å²	86	144.7 Å²	144.7	71%	0.711	75%	0.753	S	S	*	*			trans	-130.9	24.8	-172	0	0	0	0	0	113.7
587	T	29.3	Very low	31	Very low	129 Å²	129	145 Å²	145	79%	0.791	76%	0.758	S	S	*	*			trans	-144.7	53.4	-170.1	40.4	0	0	0	0	114.1
588	T	34.4	Very low	31.2	Very low	142 Å²	142	150.1 Å²	150.1	87%	0.871	77%	0.769	S	S	*	*			trans	-164.9	91.5	150.3	3.7	0	0	0	0	112.4
589	Y	30.8	Very low	31.7	Very low	220 Å²	220	149 Å²	149	86%	0.863	77%	0.765	S	S	*	*			trans	-74.7	174.3	153.2	-94.9	-99.3	0	0	0	108.8
590	P	36.3	Very low	31.9	Very low	109 Å²	109	151.4 Å²	151.4	71%	0.708	78%	0.777	S	S	*	*			cis	-146.4	168.5	21	44	-24.6	0	0	0	119.9
591	V	32	Very low	32.2	Very low	109 Å²	109	150.5 Å²	150.5	66%	0.661	78%	0.78	S	S	*	*			trans	91.1	134.4	130.5	138.6	0	0	0	0	123.5
592	R	30.6	Very low	32.5	Very low	219 Å²	219	151.7 Å²	151.7	83%	0.826	78%	0.783	S	S	*	*			trans	66.2	139	161.9	-79.3	162.5	-164.8	172.6	2.4	117.7
593	M	36	Very low	32.8	Very low	150 Å²	150	148.8 Å²	148.8	74%	0.739	78%	0.777	S	S	*	*			cis	-130.3	145.8	-5.2	-93.9	-154.8	174.4	0	0	109.8
594	Q	31	Very low	33.1	Very low	140 Å²	140	147.3 Å²	147.3	65%	0.654	78%	0.777	S	S	*	*				53	126.1	83.5	-98	-165.7	53.8	0	0	113
595	R	30.6	Very low	33.3	Very low	191 Å²	191	146.6 Å²	146.6	72%	0.721	77%	0.773	S	S	*	*			cis	-157.1	148.6	26.8	-94	156.6	-177.3	-164.2	-0.4	113.3
596	K	34.4	Very low	33.4	Very low	189 Å²	189	142.8 Å²	142.8	82%	0.822	76%	0.763	S	S	*	*			trans	58.7	148.9	140.9	-60.6	177.7	179.4	-171.3	0	119
597	S	35.4	Very low	33.7	Very low	114 Å²	114	146.5 Å²	146.5	80%	0.797	77%	0.765	S	S	*	*			cis	-151.4	154.7	3.9	10.9	0	0	0	0	113.9
598	F	28.8	Very low	33.9	Very low	204 Å²	204	146 Å²	146	90%	0.895	76%	0.763	S	S	*	*			trans	-79.5	-167.7	172	-71.6	-97.5	0	0	0	112.4
599	P	39.3	Very low	33.8	Very low	114 Å²	114	148.6 Å²	148.6	74%	0.74	76%	0.762	S	S	*	*				-140	-153.2	-64.8	44.1	-26.3	0	0	0	111.9
600	S	32.9	Very low	34	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	76%	0.758	S	S	*	*			trans	132.2	153.6	130.1	-157	0	0	0	0	116.5
601	G	36.7	Very low	33.8	Very low	60 Å²	60	147.2 Å²	147.2	62%	0.619	77%	0.767	S	S	*	*			trans	98	93.4	-178.7	0	0	0	0	0	113.3
602	S	34.5	Very low	33.9	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	77%	0.77	S	S	*	*			cis	68.6	134.2	48.8	92.8	0	0	0	0	112.1
603	V	36.6	Very low	33.9	Very low	114 Å²	114	146.2 Å²	146.2	69%	0.691	77%	0.773	S	S	*	*			cis	-149.3	146.7	25.8	163.5	0	0	0	0	111.7
604	K	36.2	Very low	33.6	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	78%	0.775	S	S	*	*			trans	21.1	149.8	148.4	-54	170.6	-170.4	174.4	0	121
605	T	34	Very low	33.4	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	79%	0.786	S	S	*	*			cis	-170.9	160.1	4.6	12.1	0	0	0	0	111.9
606	K	35.2	Very low	33.4	Very low	169 Å²	169	143.2 Å²	143.2	74%	0.735	79%	0.787	S	S	*	*			trans	66.8	117.1	156.6	-69.1	-172.1	173.3	-173.7	0	117.5
607	E	32.4	Very low	33.1	Very low	164 Å²	164	141.1 Å²	141.1	77%	0.766	79%	0.785	S	S	*	*				65	124.8	88.4	-64.4	177.8	123.5	0	0	112.6
608	T	33.3	Very low	32.9	Very low	120 Å²	120	141 Å²	141	74%	0.736	78%	0.783	S	S	*	*			cis	-154.2	143.9	39.1	-50	0	0	0	0	114.1
609	K	33	Very low	33	Very low	196 Å²	196	140.2 Å²	140.2	85%	0.852	78%	0.779	S	S	*	*			trans	24.3	145.7	157.3	-60.7	172.5	-179.5	172.7	0	123.5
610	A	34.5	Very low	32.8	Very low	94 Å²	94	147.3 Å²	147.3	78%	0.777	79%	0.792	S	S	*	*			trans	80.6	80.9	146.5	0	0	0	0	0	120.9
611	K	32.8	Very low	32.7	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.896	79%	0.789	S	S	*	*			trans	-73.5	138.3	135.9	-64.9	-178.2	179.5	-176.4	0	107.4
612	N	33.2	Very low	32.4	Very low	137 Å²	137	153.2 Å²	153.2	73%	0.733	79%	0.791	S	S	*	*			cis	76.4	117	19.8	-131.8	13.8	0	0	0	116.1
613	L	30.8	Very low	32.2	Very low	169 Å²	169	154.2 Å²	154.2	89%	0.885	79%	0.786	S	S	*	*			trans	10.7	137.5	157.1	-73.7	150.7	0	0	0	120.6
614	G	30.6	Very low	32	Very low	75 Å²	75	155.6 Å²	155.6	77%	0.773	79%	0.79	S	S	*	*			trans	170.3	114.9	158.8	0	0	0	0	0	116.2
615	F	26.4	Very low	32.1	Very low	203 Å²	203	153.4 Å²	153.4	89%	0.89	79%	0.786	S	S	*	*			trans	-57.5	159.8	149.4	-83.5	-115.7	0	0	0	108.6
616	N	30.3	Very low	32.2	Very low	140 Å²	140	153.2 Å²	153.2	75%	0.749	79%	0.787	S	S	*	*				-167.9	178	53.9	-151.3	-15.4	0	0	0	113.2
617	L	28.8	Very low	32	Very low	146 Å²	146	151.8 Å²	151.8	76%	0.764	79%	0.787	S	S	*	*			trans	-54.2	144.1	171.3	-82.3	61.6	0	0	0	113
618	S	31.3	Very low	32.2	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	78%	0.784	S	S	*	*				179.6	168.7	98.4	53.7	0	0	0	0	112.6
619	K	30.3	Very low	32.5	Very low	188 Å²	188	149.9 Å²	149.9	82%	0.817	78%	0.778	S	S	*	*			trans	10.5	138.7	159.8	-77.3	168.8	170.7	169.7	0	118.3
620	W	34.5	Very low	32.7	Very low	264 Å²	264	147.5 Å²	147.5	100%	1	77%	0.768	S	S	*	*				-158.4	169.2	105.2	-108.7	48.5	0	0	0	108.9
621	K	31.8	Very low	32.8	Very low	179 Å²	179	150.1 Å²	150.1	78%	0.778	76%	0.764	S	S	*	*			trans	-144	145.2	-155	-160.4	-168	173.5	-169.4	0	112.5
622	L	29.7	Very low	33.1	Very low	126 Å²	126	146.2 Å²	146.2	66%	0.66	76%	0.757	S	S	*	*			trans	75.2	148.2	156.9	-85.1	157.4	0	0	0	121.2
623	L	31.3	Very low	33.3	Very low	136 Å²	136	143.9 Å²	143.9	71%	0.712	76%	0.757	S	S	*	*			trans	71.1	137.7	150.4	-68.3	160.3	0	0	0	118.3
624	N	32.7	Very low	33.7	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	75%	0.751	S	S	*	*			cis	-141.7	168.5	27.9	-86.6	-63.4	0	0	0	115.8
625	L	37.1	Very low	34	Very low	139 Å²	139	145.9 Å²	145.9	73%	0.728	75%	0.746	S	S	*	*			trans	-91.1	175.6	169.4	-93.7	73.4	0	0	0	112.2
626	P	36	Very low	34.6	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	73%	0.733	S	S	*	*				-120	149.7	94.5	-0.4	22.2	0	0	0	112.2
627	N	32.3	Very low	34.9	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	73%	0.73	S	S	*	*				62	136.3	64	-60.7	0.1	0	0	0	112.4
628	T	36.9	Very low	35.1	Very low	116 Å²	116	142 Å²	142	71%	0.712	73%	0.733	S	S	*	*			cis	-134.5	-177.1	16.4	58.1	0	0	0	0	110.9
629	E	38	Very low	35.3	Very low	128 Å²	128	146.1 Å²	146.1	60%	0.598	74%	0.74	S	S	*	*			cis	-166.5	160.6	-6.6	-123.7	165.5	-76.6	0	0	109.6
630	K	38.6	Very low	35.3	Very low	147 Å²	147	143 Å²	143	64%	0.639	74%	0.737	S	S	*	*			trans	60.3	155.3	148.7	-66.6	174.7	166.5	144.1	0	120.2
631	E	35.8	Very low	35.3	Very low	148 Å²	148	138.4 Å²	138.4	69%	0.692	73%	0.731	S	S	*	*			cis	-171.9	153.1	-10.6	-105.5	154.8	-173.5	0	0	105.3
632	T	38.7	Very low	35.3	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	73%	0.73	S	S	*	*			cis	-166.5	152.5	-12.9	9.9	0	0	0	0	109
633	A	38.8	Very low	35.6	Very low	89 Å²	89	138 Å²	138	74%	0.736	74%	0.744	S	S	*	*			trans	65.1	158.1	157.4	0	0	0	0	0	119.1
634	E	39	Very low	35.7	Very low	160 Å²	160	139.6 Å²	139.6	75%	0.748	75%	0.748	S	S	*	*			cis	-165.5	162.3	-27.4	-115.1	171.1	-154.2	0	0	109.6
635	N	36.2	Very low	35.6	Very low	125 Å²	125	136.5 Å²	136.5	67%	0.668	73%	0.731	S	S	*	*			trans	63.1	152.7	156.5	-58.6	-20.8	0	0	0	119.6
636	E	37.8	Very low	35.6	Very low	131 Å²	131	139.2 Å²	139.2	61%	0.612	74%	0.737	S	S	*	*			cis	-155.3	168	-20.6	-119	-175.5	141.8	0	0	112.3
637	K	37.1	Very low	35.4	Very low	160 Å²	160	142.8 Å²	142.8	70%	0.696	74%	0.736	S	S	*	*			trans	8.2	119.7	151.2	-67.1	160.7	-170	159.2	0	117.9
638	S	32.6	Very low	35.6	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	74%	0.739	S	S	*	*				76	108.5	77.2	-60.1	0	0	0	0	114.9
639	E	35.2	Very low	35.4	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	74%	0.744	S	S	*	*			trans	-150.1	144.4	146.4	-149	162.1	-141.7	0	0	111
640	T	31.1	Very low	34.9	Very low	123 Å²	123	150.3 Å²	150.3	76%	0.755	76%	0.758	S	S	*	*			trans	-147.3	146.7	-175.6	49.5	0	0	0	0	110.5
641	L	35.5	Very low	34.5	Very low	168 Å²	168	148.3 Å²	148.3	88%	0.88	76%	0.76	S	S	*	*			trans	114.5	123.7	164.7	-69.2	157.5	0	0	0	115.5
642	A	30.7	Very low	34.2	Very low	91 Å²	91	148.1 Å²	148.1	75%	0.752	76%	0.764	S	S	*	*			trans	51.1	108.1	141	0	0	0	0	0	119.4
643	E	36.4	Very low	33.7	Very low	204 Å²	204	150.5 Å²	150.5	95%	0.953	77%	0.771	S	S	*	*				-123.8	147.2	127.9	-144.2	173.7	-162.3	0	0	109.9
644	Q	32.3	Very low	33.1	Very low	170 Å²	170	152.8 Å²	152.8	79%	0.794	78%	0.776	S	S	*	*			trans	-126	171	-162.7	-176	175.6	-20.5	0	0	110
645	D	32.2	Very low	32.6	Very low	79 Å²	79	149.2 Å²	149.2	42%	0.422	77%	0.768	S	S	.	*			trans	72.8	94.8	159.8	-128.3	48.6	0	0	0	117.3	R647	D645-R647 IonicContact OD1-NE 2.77Å; D645-R647 IonicContact OD2-CZ 3.21Å; D645-R647 IonicContact OD2-NE 2.64Å; D645-R647 PolarHBondContact OD2-NE 2.76Å; D645-R647 IonicContact OD2-NH2 2.79Å; D645-R647 PolarHBondContact OD2-NH2 2.66Å
646	K	36.4	Very low	32.4	Very low	196 Å²	196	150.1 Å²	150.1	85%	0.852	77%	0.773	S	S	*	*				179.7	147.6	112.5	-87.8	140.5	-157.9	156.7	0	111.7
647	R	32.7	Very low	32.4	Very low	189 Å²	189	148.9 Å²	148.9	71%	0.713	77%	0.767	S	S	*	*			cis	-178.7	172.3	-32.6	-116.3	177.6	-160	-137.1	6.1	106.7	D645	D645-R647 IonicContact OD1-NE 2.77Å; D645-R647 IonicContact OD2-CZ 3.21Å; D645-R647 IonicContact OD2-NE 2.64Å; D645-R647 PolarHBondContact OD2-NE 2.76Å; D645-R647 IonicContact OD2-NH2 2.79Å; D645-R647 PolarHBondContact OD2-NH2 2.66Å
648	Q	36	Very low	32.4	Very low	171 Å²	171	148.9 Å²	148.9	80%	0.799	77%	0.774	S	S	*	*			trans	68.2	98.2	173.6	-60.5	169.1	-1.8	0	0	114.4
649	Q	32.1	Very low	32.8	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	77%	0.767	S	S	*	*				78.2	103.8	62.2	-68	177.9	-44	0	0	115.5
650	H	27.8	Very low	33.4	Very low	194 Å²	194	143.4 Å²	143.4	90%	0.898	75%	0.752	S	S	*	*			trans	-129.3	131	139	-80.2	-58.1	0	0	0	108.3
651	P	31.2	Very low	34.3	Very low	104 Å²	104	143.4 Å²	143.4	68%	0.675	75%	0.747	S	S	*	*			trans	-87.3	173.5	-177.6	36	-36.4	0	0	0	112.9
652	N	29.2	Very low	35	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	73%	0.729	S	S	*	*	S	Bend	trans	68.3	79.8	165	-54.8	-16.9	0	0	0	117
653	L	27.4	Very low	35.8	Very low	174 Å²	174	138.4 Å²	138.4	91%	0.911	72%	0.715	S	S	*	*			trans	179.6	48.1	130.4	-96.9	166	0	0	0	112.6	C655	L653-C655 PolarHBondContact O-N 3.16Å; L653-C655 VanDerWaalsContact O-N 3.08Å
654	T	27.4	Very low	36.7	Very low	137 Å²	137	133.8 Å²	133.8	84%	0.84	70%	0.696	S	S	*	*			trans	-75.9	93.1	172.7	46.9	0	0	0	0	110.8
655	C	28.4	Very low	38.1	Very low	85 Å²	85	131 Å²	131	57%	0.574	68%	0.683	S	S	*	*			trans	-92.8	112.8	167.7	-160.3	0	0	0	0	109.5	L653 H657	L653-C655 PolarHBondContact O-N 3.16Å; L653-C655 VanDerWaalsContact O-N 3.08Å; C655-H657 PolarHBondContact O-N 3.26Å; C655-H657 PolarHBondContact SG-CE1 3.3Å
656	N	32.2	Very low	39	Very low	144 Å²	144	132.3 Å²	132.3	77%	0.77	68%	0.682	S	S	*	*			trans	-67.4	102.8	178.9	-69.5	0.3	0	0	0	109.8
657	H	37.8	Very low	39.8	Very low	104 Å²	104	125.2 Å²	125.2	48%	0.481	66%	0.66	S	S	.	*			trans	-126.5	13.5	-177.1	-83.1	5.3	0	0	0	113.9	C655 N659	C655-H657 PolarHBondContact O-N 3.26Å; C655-H657 PolarHBondContact SG-CE1 3.3Å; H657-N659 PolarHBondContact O-N 3.31Å; H657-N659 VanDerWaalsContact O-N 3.14Å
658	D	35.8	Very low	41.1	Very low	160 Å²	160	121 Å²	121	86%	0.856	65%	0.652	S	S	*	*			trans	-65.6	-13.3	177.1	-60.2	-51	0	0	0	114	A660	D658-A660 PolarHBondContact O-N 3.4Å
659	N	41.6	Very low	42.1	Very low	125 Å²	125	114 Å²	114	67%	0.668	62%	0.619	S	S	*	*			trans	-79.3	82.5	167.6	-79.9	-22.3	0	0	0	110.7	H657 I661 L662 A663	H657-N659 PolarHBondContact O-N 3.31Å; H657-N659 VanDerWaalsContact O-N 3.14Å; N659-I661 PolarHBondContact O-N 2.95Å; N659-L662 HydrophobicContact CB-CB 4.32Å; N659-L662 WeakPolarHBondContact O-CB 3.49Å; N659-L662 PolarHBondContact O-N 3.21Å; N659-A663 PolarHBondContact O-N 2.85Å
660	A	46.5	Very low	43.1	Very low	74 Å²	74	110 Å²	110	61%	0.612	60%	0.602	S	S	*	*	H	α-helix	trans	-51.2	-31.1	177.1	0	0	0	0	0	113.8	D658 L662 A663 L664	D658-A660 PolarHBondContact O-N 3.4Å; A660-L662 VanDerWaalsContact C-N 3.34Å; A660-L662 PolarHBondContact O-N 3.37Å; A660-A663 PolarHBondContact O-N 2.87Å; A660-L664 WeakPolarHBondContact O-CB 3.4Å; A660-L664 PolarHBondContact O-N 3.27Å
661	I	51.3	Low	44.4	Very low	123 Å²	123	104.6 Å²	104.6	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-57.2	-44.5	174	-60.3	173.1	0	0	0	111.4	N659 L664 Q665	N659-I661 PolarHBondContact O-N 2.95Å; I661-L664 PolarHBondContact O-N 2.64Å; I661-Q665 WeakPolarHBondContact O-CG 3.41Å; I661-Q665 PolarHBondContact O-N 3.24Å
662	L	50.3	Low	45.5	Very low	99 Å²	99	102.3 Å²	102.3	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-70.7	-37.2	-176.8	-148	87.4	0	0	0	111.3	N659 A660 R666	N659-L662 HydrophobicContact CB-CB 4.32Å; N659-L662 WeakPolarHBondContact O-CB 3.49Å; N659-L662 PolarHBondContact O-N 3.21Å; A660-L662 VanDerWaalsContact C-N 3.34Å; A660-L662 PolarHBondContact O-N 3.37Å; L662-R666 VanDerWaalsContact O-CB 3.32Å; L662-R666 WeakPolarHBondContact O-CB 3.43Å; L662-R666 PolarHBondContact O-N 3.01Å
663	A	48.1	Very low	46.5	Very low	54 Å²	54	98.2 Å²	98.2	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-41.6	173.7	0	0	0	0	0	111.6	N659 A660 R666 A667	N659-A663 PolarHBondContact O-N 2.85Å; A660-A663 PolarHBondContact O-N 2.87Å; A663-R666 PolarHBondContact O-N 3.09Å; A663-A667 WeakPolarHBondContact O-CB 3.35Å; A663-A667 PolarHBondContact O-N 2.89Å
664	L	55.2	Low	47.5	Very low	108 Å²	108	96 Å²	96	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-43.5	176.2	-171.6	67.3	0	0	0	112	A660 I661 R666 A667 N668	A660-L664 WeakPolarHBondContact O-CB 3.4Å; A660-L664 PolarHBondContact O-N 3.27Å; I661-L664 PolarHBondContact O-N 2.64Å; L664-R666 VanDerWaalsContact C-N 3.35Å; L664-R666 PolarHBondContact O-N 3.42Å; L664-A667 PolarHBondContact O-N 2.99Å; L664-N668 WeakPolarHBondContact O-CB 3.41Å; L664-N668 VanDerWaalsContact O-CG 3.28Å; L664-N668 PolarHBondContact O-N 3.44Å
665	Q	60.5	Low	48.3	Very low	112 Å²	112	93.6 Å²	93.6	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-59.5	-44.2	173	-76	174.2	-26.9	0	0	111.8	I661 N668 F669	I661-Q665 WeakPolarHBondContact O-CG 3.41Å; I661-Q665 PolarHBondContact O-N 3.24Å; Q665-N668 PolarHBondContact O-N 2.91Å; Q665-F669 WeakPolarHBondContact O-CB 3.42Å; Q665-F669 PolarHBondContact O-N 3.42Å
666	R	50.8	Low	49.2	Very low	106 Å²	106	96.3 Å²	96.3	40%	0.4	54%	0.539	S	S	.	.	H	α-helix	trans	-65.1	-38.8	178.3	-156.2	177.6	-160.9	-174.8	5.4	112.1	L662 A663 L664 L670	L662-R666 VanDerWaalsContact O-CB 3.32Å; L662-R666 WeakPolarHBondContact O-CB 3.43Å; L662-R666 PolarHBondContact O-N 3.01Å; A663-R666 PolarHBondContact O-N 3.09Å; L664-R666 VanDerWaalsContact C-N 3.35Å; L664-R666 PolarHBondContact O-N 3.42Å; R666-L670 WeakPolarHBondContact O-CB 3.22Å; R666-L670 VanDerWaalsContact O-CG 3.3Å; R666-L670 WeakPolarHBondContact O-CG 3.44Å; R666-L670 PolarHBondContact O-N 2.9Å
667	A	54	Low	49.9	Very low	46 Å²	46	92.5 Å²	92.5	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-45.8	173.2	0	0	0	0	0	111.9	A663 L664 F669 L670 M671	A663-A667 WeakPolarHBondContact O-CB 3.35Å; A663-A667 PolarHBondContact O-N 2.89Å; L664-A667 PolarHBondContact O-N 2.99Å; A667-F669 PolarHBondContact O-N 2.66Å; A667-L670 PolarHBondContact O-N 3.19Å; A667-M671 WeakPolarHBondContact O-CB 3.14Å; A667-M671 WeakPolarHBondContact O-CG 3.42Å; A667-M671 PolarHBondContact O-N 3.32Å
668	N	59.9	Low	50	Low	101 Å²	101	90.9 Å²	90.9	54%	0.54	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.9	-71.8	-10.8	0	0	0	112	L664 Q665 M671 A672	L664-N668 WeakPolarHBondContact O-CB 3.41Å; L664-N668 VanDerWaalsContact O-CG 3.28Å; L664-N668 PolarHBondContact O-N 3.44Å; Q665-N668 PolarHBondContact O-N 2.91Å; N668-M671 PolarHBondContact O-N 3.24Å; N668-A672 PolarHBondContact O-N 3.48Å
669	F	57.2	Low	50.2	Low	25 Å²	25	90.4 Å²	90.4	11%	0.11	54%	0.537	C	S	.	.	H	α-helix	trans	-62.6	-47.8	175.2	178.8	-106	0	0	0	112.3	Q665 A667 M671 A672 A673 C686 L689 L693 I695	Q665-F669 WeakPolarHBondContact O-CB 3.42Å; Q665-F669 PolarHBondContact O-N 3.42Å; A667-F669 PolarHBondContact O-N 2.66Å; F669-M671 VanDerWaalsContact C-N 3.29Å; F669-M671 PolarHBondContact O-N 2.66Å; F669-A672 PolarHBondContact O-N 3.21Å; F669-A673 WeakPolarHBondContact O-CB 3.49Å; F669-A673 PolarHBondContact O-N 3.18Å; F669-C686 HydrophobicContact CE2-CB 4.47Å; F669-L689 HydrophobicContact CB-CD2 4.32Å; F669-L689 HydrophobicContact CD2-CB 4.14Å; F669-L689 HydrophobicContact CD2-CD2 3.47Å; F669-L689 VanDerWaalsContact CD2-CD2 3.47Å; F669-L689 HydrophobicContact CD2-CG 4.43Å; F669-L689 HydrophobicContact CE2-CB 3.82Å; F669-L689 HydrophobicContact CE2-CD2 4.04Å; F669-L689 HydrophobicContact CG-CD2 4.07Å; F669-L689 HydrophobicContact CZ-CB 4.37Å; F669-L693 HydrophobicContact CB-CD1 4.32Å; F669-L693 HydrophobicContact CD1-CD1 3.64Å; F669-L693 HydrophobicContact CE1-CD1 4.07Å; F669-L693 HydrophobicContact CG-CD1 3.93Å; F669-I695 HydrophobicContact CD1-CD1 4.23Å; F669-I695 HydrophobicContact CE1-CD1 3.97Å
670	L	53.5	Low	50.3	Low	91 Å²	91	87.2 Å²	87.2	48%	0.476	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-38.8	175.9	-72.5	168.1	0	0	0	111.9	R666 A667 A672 A673 L674	R666-L670 WeakPolarHBondContact O-CB 3.22Å; R666-L670 VanDerWaalsContact O-CG 3.3Å; R666-L670 WeakPolarHBondContact O-CG 3.44Å; R666-L670 PolarHBondContact O-N 2.9Å; A667-L670 PolarHBondContact O-N 3.19Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 3.01Å; L670-A673 PolarHBondContact O-N 3.02Å; L670-L674 WeakPolarHBondContact O-CB 3.12Å; L670-L674 WeakPolarHBondContact O-CD1 3.35Å; L670-L674 VanDerWaalsContact O-CG 3.25Å; L670-L674 WeakPolarHBondContact O-CG 3.15Å; L670-L674 PolarHBondContact O-N 2.92Å; L670-L674 VanDerWaalsContact O-N 3.07Å
671	M	54	Low	50.1	Low	80 Å²	80	89.7 Å²	89.7	39%	0.394	53%	0.534	S	S	.	.	H	α-helix	trans	-73.5	-20.6	178.7	-69	-73.7	-88.5	0	0	113.6	A667 N668 F669	A667-M671 WeakPolarHBondContact O-CB 3.14Å; A667-M671 WeakPolarHBondContact O-CG 3.42Å; A667-M671 PolarHBondContact O-N 3.32Å; N668-M671 PolarHBondContact O-N 3.24Å; F669-M671 VanDerWaalsContact C-N 3.29Å; F669-M671 PolarHBondContact O-N 2.66Å
672	A	53.6	Low	49.8	Very low	55 Å²	55	87.6 Å²	87.6	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-81.6	-41.7	168.2	0	0	0	0	0	111.5	N668 F669 L670 L674 D675	N668-A672 PolarHBondContact O-N 3.48Å; F669-A672 PolarHBondContact O-N 3.21Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 3.01Å; A672-L674 PolarHBondContact O-N 3.3Å; A672-D675 PolarHBondContact O-N 3.5Å
673	A	50.8	Low	49.6	Very low	59 Å²	59	87.7 Å²	87.7	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-67.8	-16.1	177.8	0	0	0	0	0	114.2	F669 L670	F669-A673 WeakPolarHBondContact O-CB 3.49Å; F669-A673 PolarHBondContact O-N 3.18Å; L670-A673 PolarHBondContact O-N 3.02Å
674	L	47.5	Very low	49.5	Very low	127 Å²	127	95.1 Å²	95.1	67%	0.665	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.9	172.2	-73.4	169	0	0	0	113.7	L670 A672 T676	L670-L674 WeakPolarHBondContact O-CB 3.12Å; L670-L674 WeakPolarHBondContact O-CD1 3.35Å; L670-L674 VanDerWaalsContact O-CG 3.25Å; L670-L674 WeakPolarHBondContact O-CG 3.15Å; L670-L674 PolarHBondContact O-N 2.92Å; L670-L674 VanDerWaalsContact O-N 3.07Å; A672-L674 PolarHBondContact O-N 3.3Å; L674-T676 PolarHBondContact O-N 2.86Å; L674-T676 VanDerWaalsContact O-N 3.16Å
675	D	46.3	Very low	49.4	Very low	88 Å²	88	94.5 Å²	94.5	47%	0.471	54%	0.539	S	S	.	.			trans	-88	86	-173.2	-151.3	-36.6	0	0	0	111.7	A672 G677 S678	A672-D675 PolarHBondContact O-N 3.5Å; D675-G677 PolarHBondContact O-N 2.9Å; D675-S678 PolarHBondContact O-N 2.79Å
676	T	45.3	Very low	48.7	Very low	142 Å²	142	90.6 Å²	90.6	87%	0.871	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	2.8	-175.1	54.1	0	0	0	0	114.9	L674	L674-T676 PolarHBondContact O-N 2.86Å; L674-T676 VanDerWaalsContact O-N 3.16Å
677	G	47.8	Very low	48.8	Very low	63 Å²	63	90.8 Å²	90.8	65%	0.649	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-10	174.8	0	0	0	0	0	115.4	D675 T679	D675-G677 PolarHBondContact O-N 2.9Å; G677-T679 PolarHBondContact O-N 3.3Å
678	S	39.7	Very low	49.1	Very low	70 Å²	70	93.9 Å²	93.9	49%	0.49	54%	0.539	S	S	.	.			trans	-85.7	111.5	-174.3	-178.7	0	0	0	0	113.2	D675 S680	D675-S678 PolarHBondContact O-N 2.79Å; S678-S680 VanDerWaalsContact C-N 3.34Å; S678-S680 PolarHBondContact OG-N 2.88Å; S678-S680 PolarHBondContact OG-OG 3.12Å
679	T	40.7	Very low	48.5	Very low	150 Å²	150	93 Å²	93	92%	0.92	53%	0.533	S	S	*	.			trans	-93.9	19.3	168.4	50.8	0	0	0	0	113.1	G677	G677-T679 PolarHBondContact O-N 3.3Å
680	S	43.2	Very low	48.2	Very low	59 Å²	59	92.9 Å²	92.9	41%	0.413	54%	0.535	S	S	.	.	S	Bend	trans	-78	161.5	-176.7	75.2	0	0	0	0	113.1	S678 L682	S678-S680 VanDerWaalsContact C-N 3.34Å; S678-S680 PolarHBondContact OG-N 2.88Å; S678-S680 PolarHBondContact OG-OG 3.12Å; S680-L682 PolarHBondContact O-N 3Å
681	P	42.5	Very low	48.8	Very low	126 Å²	126	94.7 Å²	94.7	82%	0.818	54%	0.541	S	S	*	.	S	Bend	trans	-68.9	15.9	-168.9	-22	35.5	0	0	0	117.6	D683	P681-D683 PolarHBondContact O-N 2.75Å; P681-D683 VanDerWaalsContact O-N 3.09Å
682	L	45.2	Very low	49.3	Very low	79 Å²	79	94.8 Å²	94.8	41%	0.414	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-9.2	-167.9	-86.3	167.9	0	0	0	116.1	S680 R684 D685 C686	S680-L682 PolarHBondContact O-N 3Å; L682-R684 VanDerWaalsContact C-N 3.28Å; L682-R684 PolarHBondContact O-N 2.79Å; L682-D685 HydrophobicContact CD2-CB 4.35Å; L682-D685 PolarHBondContact O-N 2.67Å; L682-C686 WeakPolarHBondContact O-CB 3.36Å; L682-C686 PolarHBondContact O-N 3.42Å; L682-C686 PolarHBondContact O-SG 3.24Å
683	D	46.3	Very low	49.1	Very low	100 Å²	100	94 Å²	94	54%	0.535	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-28	-172.4	-161.7	37.2	0	0	0	113.2	P681 Q687 R697	P681-D683 PolarHBondContact O-N 2.75Å; P681-D683 VanDerWaalsContact O-N 3.09Å; D683-Q687 PolarHBondContact O-N 3.47Å; D683-R697 IonicContact OD1-CZ 2.69Å; D683-R697 IonicContact OD1-NH1 2.76Å; D683-R697 IonicContact OD1-NH2 3.71Å; D683-R697 PolarHBondContact OD1-NH2 3.16Å
684	R	45.5	Very low	49.4	Very low	210 Å²	210	102.3 Å²	102.3	79%	0.792	56%	0.561	S	S	*	*	H	α-helix	trans	-69.5	-47.9	171.3	-83.1	-171.9	172.8	-177.9	-1.6	112.8	L682 C686 Q687 L688	L682-R684 VanDerWaalsContact C-N 3.28Å; L682-R684 PolarHBondContact O-N 2.79Å; R684-C686 VanDerWaalsContact C-N 3.31Å; R684-C686 PolarHBondContact O-N 2.8Å; R684-Q687 PolarHBondContact O-N 3.22Å; R684-L688 PolarHBondContact O-N 3.33Å
685	D	53.1	Low	49.6	Very low	95 Å²	95	99 Å²	99	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-69.5	-32.6	179.6	-62.5	-30.6	0	0	0	111.3	L682 Q687 L688 L689	L682-D685 HydrophobicContact CD2-CB 4.35Å; L682-D685 PolarHBondContact O-N 2.67Å; D685-Q687 VanDerWaalsContact C-N 3.28Å; D685-Q687 PolarHBondContact O-N 3.23Å; D685-L688 PolarHBondContact O-N 2.95Å; D685-L689 WeakPolarHBondContact O-CB 3.24Å; D685-L689 PolarHBondContact O-N 3.17Å
686	C	46.5	Very low	49.8	Very low	30 Å²	30	100.2 Å²	100.2	20%	0.203	55%	0.55	C	S	.	*	H	α-helix	trans	-61.6	-34.5	171.8	-73	0	0	0	0	112.6	F669 L682 R684 L689 C690	F669-C686 HydrophobicContact CE2-CB 4.47Å; L682-C686 WeakPolarHBondContact O-CB 3.36Å; L682-C686 PolarHBondContact O-N 3.42Å; L682-C686 PolarHBondContact O-SG 3.24Å; R684-C686 VanDerWaalsContact C-N 3.31Å; R684-C686 PolarHBondContact O-N 2.8Å; C686-L689 PolarHBondContact O-N 3.48Å; C686-C690 WeakPolarHBondContact O-CB 3.23Å; C686-C690 PolarHBondContact O-N 2.81Å; C686-C690 PolarHBondContact O-SG 2.92Å
687	Q	52.9	Low	49.6	Very low	111 Å²	111	101.3 Å²	101.3	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-68.9	-46.7	178.1	-166.4	163.4	1	0	0	111.1	D683 R684 D685 L689 C690 E691	D683-Q687 PolarHBondContact O-N 3.47Å; R684-Q687 PolarHBondContact O-N 3.22Å; D685-Q687 VanDerWaalsContact C-N 3.28Å; D685-Q687 PolarHBondContact O-N 3.23Å; Q687-L689 VanDerWaalsContact C-N 3.34Å; Q687-L689 PolarHBondContact O-N 2.78Å; Q687-C690 PolarHBondContact O-N 3.2Å; Q687-E691 PolarHBondContact O-N 2.95Å
688	L	59.1	Low	49.6	Very low	111 Å²	111	106 Å²	106	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-60.7	-39.1	172.7	-74.9	166.1	0	0	0	112.6	R684 D685 A692	R684-L688 PolarHBondContact O-N 3.33Å; D685-L688 PolarHBondContact O-N 2.95Å; L688-A692 WeakPolarHBondContact O-CB 3.31Å; L688-A692 PolarHBondContact O-N 3.48Å
689	L	47.3	Very low	49.6	Very low	81 Å²	81	109 Å²	109	42%	0.424	56%	0.559	S	S	.	*	H	α-helix	trans	-71	-36.2	175.3	-111.2	74.4	0	0	0	113.1	F669 D685 C686 Q687 E691 A692 L693	F669-L689 HydrophobicContact CB-CD2 4.32Å; F669-L689 HydrophobicContact CD2-CB 4.14Å; F669-L689 HydrophobicContact CD2-CD2 3.47Å; F669-L689 VanDerWaalsContact CD2-CD2 3.47Å; F669-L689 HydrophobicContact CD2-CG 4.43Å; F669-L689 HydrophobicContact CE2-CB 3.82Å; F669-L689 HydrophobicContact CE2-CD2 4.04Å; F669-L689 HydrophobicContact CG-CD2 4.07Å; F669-L689 HydrophobicContact CZ-CB 4.37Å; D685-L689 WeakPolarHBondContact O-CB 3.24Å; D685-L689 PolarHBondContact O-N 3.17Å; C686-L689 PolarHBondContact O-N 3.48Å; Q687-L689 VanDerWaalsContact C-N 3.34Å; Q687-L689 PolarHBondContact O-N 2.78Å; L689-E691 VanDerWaalsContact C-N 3.34Å; L689-A692 PolarHBondContact O-N 3.03Å; L689-L693 HydrophobicContact CD2-CD1 4.43Å; L689-L693 HydrophobicContact CG-CD1 4.48Å; L689-L693 WeakPolarHBondContact O-CB 3.09Å; L689-L693 WeakPolarHBondContact O-CG 3.29Å; L689-L693 PolarHBondContact O-N 3.35Å
690	C	51.9	Low	49.3	Very low	23 Å²	23	116.1 Å²	116.1	16%	0.155	57%	0.569	C	S	.	*	H	α-helix	trans	-61.9	-42.1	173.7	-79.7	0	0	0	0	111.6	C686 Q687 R694 I695	C686-C690 WeakPolarHBondContact O-CB 3.23Å; C686-C690 PolarHBondContact O-N 2.81Å; C686-C690 PolarHBondContact O-SG 2.92Å; Q687-C690 PolarHBondContact O-N 3.2Å; C690-R694 WeakPolarHBondContact O-CA 3.34Å; C690-R694 PolarHBondContact O-N 2.85Å; C690-I695 PolarHBondContact O-N 2.91Å
691	E	65.1	Low	49.6	Very low	130 Å²	130	119 Å²	119	61%	0.607	58%	0.577	S	S	*	*	H	α-helix	trans	-63.9	-49.8	174.2	-71.4	176.5	176.1	0	0	111.3	Q687 L689 L693 R694	Q687-E691 PolarHBondContact O-N 2.95Å; L689-E691 VanDerWaalsContact C-N 3.34Å; E691-L693 VanDerWaalsContact C-N 3.33Å; E691-L693 PolarHBondContact O-N 3.29Å; E691-R694 PolarHBondContact O-N 2.69Å
692	A	65.2	Low	49.9	Very low	81 Å²	81	118.6 Å²	118.6	67%	0.669	56%	0.564	S	S	*	*	H	α-helix	trans	-62.1	-35.8	178.6	0	0	0	0	0	113.5	L688 L689	L688-A692 WeakPolarHBondContact O-CB 3.31Å; L688-A692 PolarHBondContact O-N 3.48Å; L689-A692 PolarHBondContact O-N 3.03Å
693	L	50.2	Low	50.2	Low	40 Å²	40	120.8 Å²	120.8	21%	0.209	57%	0.573	C	S	.	*	H	α-helix	trans	-89.1	-4.1	179	-64.3	172.3	0	0	0	113.6	F669 L689 E691 I695	F669-L693 HydrophobicContact CB-CD1 4.32Å; F669-L693 HydrophobicContact CD1-CD1 3.64Å; F669-L693 HydrophobicContact CE1-CD1 4.07Å; F669-L693 HydrophobicContact CG-CD1 3.93Å; L689-L693 HydrophobicContact CD2-CD1 4.43Å; L689-L693 HydrophobicContact CG-CD1 4.48Å; L689-L693 WeakPolarHBondContact O-CB 3.09Å; L689-L693 WeakPolarHBondContact O-CG 3.29Å; L689-L693 PolarHBondContact O-N 3.35Å; E691-L693 VanDerWaalsContact C-N 3.33Å; E691-L693 PolarHBondContact O-N 3.29Å; L693-I695 VanDerWaalsContact C-N 3.29Å; L693-I695 HydrophobicContact CB-CD1 3.76Å; L693-I695 HydrophobicContact CB-CG1 3.85Å; L693-I695 HydrophobicContact CD1-CD1 4.04Å; L693-I695 PolarHBondContact O-N 3.45Å
694	R	56.2	Low	50.4	Low	232 Å²	232	122.1 Å²	122.1	88%	0.875	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.1	40.8	-174.6	-57.2	-178.5	177.8	-178	-1.8	113.6	C690 E691	C690-R694 WeakPolarHBondContact O-CA 3.34Å; C690-R694 PolarHBondContact O-N 2.85Å; E691-R694 PolarHBondContact O-N 2.69Å
695	I	51.5	Low	50.7	Low	58 Å²	58	116.6 Å²	116.6	30%	0.297	56%	0.561	S	S	.	*			trans	-96.2	107.1	179.4	-60.2	174	0	0	0	108.6	F669 C690 L693	F669-I695 HydrophobicContact CD1-CD1 4.23Å; F669-I695 HydrophobicContact CE1-CD1 3.97Å; C690-I695 PolarHBondContact O-N 2.91Å; L693-I695 VanDerWaalsContact C-N 3.29Å; L693-I695 HydrophobicContact CB-CD1 3.76Å; L693-I695 HydrophobicContact CB-CG1 3.85Å; L693-I695 HydrophobicContact CD1-CD1 4.04Å; L693-I695 PolarHBondContact O-N 3.45Å
696	N	50.2	Low	50.6	Low	113 Å²	113	118 Å²	118	60%	0.604	57%	0.565	S	S	*	*			trans	-75.7	132.6	177.8	-159.4	21.1	0	0	0	110.4	E698	N696-E698 PolarHBondContact ND2-OE2 2.73Å; N696-E698 PolarHBondContact O-N 3.45Å; N696-E698 VanDerWaalsContact O-N 3.12Å
697	R	42.8	Very low	50.9	Low	166 Å²	166	124.3 Å²	124.3	63%	0.626	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	2.3	-167.6	-128.7	179.3	-171.9	-179.7	3	114.3	D683	D683-R697 IonicContact OD1-CZ 2.69Å; D683-R697 IonicContact OD1-NH1 2.76Å; D683-R697 IonicContact OD1-NH2 3.71Å; D683-R697 PolarHBondContact OD1-NH2 3.16Å
698	E	46.9	Very low	50.7	Low	161 Å²	161	125.3 Å²	125.3	75%	0.752	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-4.9	-164.4	-62.5	-177.9	123.8	0	0	115.8	N696	N696-E698 PolarHBondContact ND2-OE2 2.73Å; N696-E698 PolarHBondContact O-N 3.45Å; N696-E698 VanDerWaalsContact O-N 3.12Å
699	T	38.8	Very low	50	Low	133 Å²	133	126.5 Å²	126.5	82%	0.816	60%	0.597	S	S	*	*			trans	-98.7	100	174.1	55.8	0	0	0	0	111
700	R	34.5	Very low	50.3	Low	300 Å²	300	130.6 Å²	130.6	100%	1.132	61%	0.613	S	S	*	*			trans	-144.4	0	171.9	-134	-174.5	-166.4	-164.5	5.3	111.4

Retrieved 700 of 700 residues in 311.2 ms (Link to these results)

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