A0A3G6V9T0_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3G6V9T0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 651 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	51.2	Low	47.6	Very low	249 Å²	249	158.6 Å²	158.6	100%	1.227	88%	0.878	S	S	*	*				0	109.3	0	-70.5	-170	174.5	0	0	106.9
2	A	45.2	Very low	48.3	Very low	111 Å²	111	158 Å²	158	92%	0.917	87%	0.872	S	S	*	*			trans	-86.3	121.3	-171.6	0	0	0	0	0	110.3
3	D	46.1	Very low	49.5	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	86%	0.86	S	S	*	*			trans	-88.2	110	179.7	-161.8	7.4	0	0	0	109.9
4	G	47.4	Very low	51.3	Low	63 Å²	63	150.4 Å²	150.4	65%	0.649	83%	0.832	S	S	*	*			trans	-92.1	104.1	-177.4	0	0	0	0	0	111.5	R6	G4-R6 PolarHBondContact O-N 3.42Å; G4-R6 VanDerWaalsContact O-N 3.16Å
5	R	48.1	Very low	53.6	Low	250 Å²	250	146.7 Å²	146.7	94%	0.943	82%	0.815	S	S	*	*			trans	-57.6	113.7	169.5	-72.5	-175.8	-172.2	-177.2	2.6	110.6
6	R	48.3	Very low	55.9	Low	246 Å²	246	146.1 Å²	146.1	93%	0.928	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.2	119.8	164.9	-67.8	-177.5	-158.6	-168.9	4.6	109.2	G4	G4-R6 PolarHBondContact O-N 3.42Å; G4-R6 VanDerWaalsContact O-N 3.16Å
7	G	44.4	Very low	57.6	Low	74 Å²	74	138.8 Å²	138.8	76%	0.763	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-67	135.6	169.5	0	0	0	0	0	111.3
8	T	51	Low	59.1	Low	130 Å²	130	134.1 Å²	134.1	80%	0.798	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.9	135.8	170.5	48.4	0	0	0	0	110.4	K10	T8-K10 PolarHBondContact O-N 2.98Å
9	P	47.5	Very low	60.6	Low	124 Å²	124	130.5 Å²	130.5	81%	0.805	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66.1	129.2	176.1	27.4	-30.7	0	0	0	109.4	C11	P9-C11 PolarHBondContact O-N 3.4Å
10	K	46.1	Very low	62.2	Low	209 Å²	209	124 Å²	124	91%	0.909	69%	0.688	S	S	*	*			trans	-61.2	110	172	-75	179.5	176.2	177.9	0	108.4	T8 N12	T8-K10 PolarHBondContact O-N 2.98Å; K10-N12 PolarHBondContact O-N 3.03Å
11	C	47.7	Very low	63.8	Low	125 Å²	125	120 Å²	120	85%	0.845	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-67.4	118.4	175.1	-144.3	0	0	0	0	108.6	P9	P9-C11 PolarHBondContact O-N 3.4Å
12	N	56.5	Low	65.8	Low	151 Å²	151	109.1 Å²	109.1	81%	0.807	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-64.2	129.5	174.8	-123.9	-0.9	0	0	0	107.9	K10 E14	K10-N12 PolarHBondContact O-N 3.03Å; N12-E14 PolarHBondContact O-N 3.47Å; N12-E14 VanDerWaalsContact O-N 3.13Å
13	P	64.1	Low	68	Low	110 Å²	110	105.4 Å²	105.4	71%	0.714	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59	121.7	-178.4	22.4	-31.3	0	0	0	110	V15	P13-V15 PolarHBondContact O-N 2.89Å; P13-V15 VanDerWaalsContact O-N 3.17Å
14	E	75	Confident	70.2	Confident	99 Å²	99	105.2 Å²	105.2	46%	0.463	58%	0.578	S	S	.	*			trans	-66.3	111.7	179.7	-171.6	179.8	95.5	0	0	109.7	N12 R16 I21	N12-E14 PolarHBondContact O-N 3.47Å; N12-E14 VanDerWaalsContact O-N 3.13Å; E14-R16 HydrophobicContact CG-CG 4.39Å; E14-R16 IonicContact OE1-CZ 4Å; E14-R16 IonicContact OE1-NE 3.02Å; E14-R16 PolarHBondContact OE1-NE 3.04Å; E14-R16 IonicContact OE1-NH2 2.77Å; E14-R16 PolarHBondContact OE1-NH2 3.07Å; E14-I21 HydrophobicContact CG-CG1 4.45Å; E14-I21 HydrophobicContact CG-CG2 3.53Å; E14-I21 WeakPolarHBondContact OE1-CD1 3.06Å; E14-I21 WeakPolarHBondContact OE1-CG1 3.42Å
15	V	85.8	Confident	72.3	Confident	96 Å²	96	105.3 Å²	105.3	58%	0.582	57%	0.567	S	S	*	*			trans	-76.3	126.4	178.2	-178.9	0	0	0	0	108.8	P13 I22	P13-V15 PolarHBondContact O-N 2.89Å; P13-V15 VanDerWaalsContact O-N 3.17Å; V15-I22 HydrophobicContact CB-CB 4.39Å; V15-I22 HydrophobicContact CG1-CB 4.29Å; V15-I22 PolarHBondContact O-N 3.28Å
16	R	89.4	Confident	74.3	Confident	137 Å²	137	97.4 Å²	97.4	52%	0.517	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.1	-178	-65.2	179.2	176.2	170.9	4.7	111.6	E14 Y20	E14-R16 HydrophobicContact CG-CG 4.39Å; E14-R16 IonicContact OE1-CZ 4Å; E14-R16 IonicContact OE1-NE 3.02Å; E14-R16 PolarHBondContact OE1-NE 3.04Å; E14-R16 IonicContact OE1-NH2 2.77Å; E14-R16 PolarHBondContact OE1-NH2 3.07Å; R16-Y20 WeakPolarHBondContact CA-O 3.45Å
17	I	85.2	Confident	75.9	Confident	22 Å²	22	87.1 Å²	87.1	11%	0.113	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	116.2	167.7	-174.3	62.9	0	0	0	108.8	N19 Y20 I22 I87 T89 F94	I17-N19 PolarHBondContact O-N 3.31Å; I17-Y20 PolarHBondContact N-O 3.39Å; I17-Y20 WeakPolarHBondContact O-CB 3.45Å; I17-Y20 PolarHBondContact O-N 2.96Å; I17-I22 HydrophobicContact CG2-CD1 3.56Å; I17-I22 HydrophobicContact CG2-CG1 3.75Å; I17-I87 HydrophobicContact CD1-CG2 3.86Å; I17-I87 HydrophobicContact CG1-CB 4.36Å; I17-I87 HydrophobicContact CG1-CD1 4.05Å; I17-I87 HydrophobicContact CG1-CG2 3.95Å; I17-T89 HydrophobicContact CD1-CG2 3.91Å; I17-F94 HydrophobicContact CB-CD1 4.43Å; I17-F94 HydrophobicContact CB-CE1 4.49Å; I17-F94 HydrophobicContact CD1-CD2 4.03Å; I17-F94 HydrophobicContact CD1-CE2 3.94Å; I17-F94 HydrophobicContact CD1-CG 4.43Å; I17-F94 HydrophobicContact CD1-CZ 4.24Å; I17-F94 HydrophobicContact CG1-CB 4.45Å; I17-F94 HydrophobicContact CG1-CD1 4.01Å; I17-F94 HydrophobicContact CG1-CD2 4.01Å; I17-F94 HydrophobicContact CG1-CE1 4.26Å; I17-F94 HydrophobicContact CG1-CE2 4.27Å; I17-F94 HydrophobicContact CG1-CG 3.9Å; I17-F94 HydrophobicContact CG1-CZ 4.39Å; I17-F94 HydrophobicContact CG2-CD1 4.25Å
18	G	85.1	Confident	77.6	Confident	54 Å²	54	89 Å²	89	56%	0.557	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-126.2	-170.7	0	0	0	0	0	111.8	Y20	G18-Y20 VanDerWaalsContact C-N 3.3Å; G18-Y20 PolarHBondContact O-N 3.31Å
19	N	87.9	Confident	78.4	Confident	65 Å²	65	84.7 Å²	84.7	35%	0.348	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	15.8	177.5	-71.6	-31	0	0	0	113.9	I17 K40 Q323	I17-N19 PolarHBondContact O-N 3.31Å; N19-K40 WeakPolarHBondContact O-CB 3.46Å; N19-K40 WeakPolarHBondContact O-CG 3.29Å; N19-K40 PolarHBondContact O-N 3.28Å; N19-Q323 PolarHBondContact ND2-OE1 2.62Å
20	Y	92.4	Very high	79.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.3	-176.5	-57.9	-87	0	0	0	112.1	R16 I17 G18 I38 H39 V46 I87 I96 V326	R16-Y20 WeakPolarHBondContact CA-O 3.45Å; I17-Y20 PolarHBondContact N-O 3.39Å; I17-Y20 WeakPolarHBondContact O-CB 3.45Å; I17-Y20 PolarHBondContact O-N 2.96Å; G18-Y20 VanDerWaalsContact C-N 3.3Å; G18-Y20 PolarHBondContact O-N 3.31Å; Y20-I38 CarbonylContact C-O 3.54Å; Y20-I38 WeakPolarHBondContact CA-O 3.14Å; Y20-H39 HydrophobicContact CD1-CB 3.88Å; Y20-H39 AromaticContact CD1-CD2 3.97Å; Y20-H39 HydrophobicContact CE1-CB 3.63Å; Y20-H39 AromaticContact CE1-CD2 3.47Å; Y20-H39 VanDerWaalsContact CE1-CD2 3.47Å; Y20-H39 WeakPolarHBondContact CE1-CD2 3.26Å; Y20-H39 AromaticContact CE1-CG 3.83Å; Y20-H39 AromaticContact CZ-CD2 3.54Å; Y20-V46 HydrophobicContact CD1-CG2 3.51Å; Y20-V46 HydrophobicContact CE1-CB 4.47Å; Y20-V46 HydrophobicContact CE1-CG1 3.98Å; Y20-V46 HydrophobicContact CE1-CG2 3.76Å; Y20-V46 HydrophobicContact CG-CG2 4.48Å; Y20-I87 HydrophobicContact CD2-CD1 4.19Å; Y20-I87 HydrophobicContact CE2-CD1 4.31Å; Y20-I96 HydrophobicContact CD1-CG2 4.33Å; Y20-I96 HydrophobicContact CD2-CD1 4.08Å; Y20-I96 HydrophobicContact CD2-CG1 4.29Å; Y20-I96 HydrophobicContact CE1-CG2 3.7Å; Y20-I96 HydrophobicContact CE2-CD1 4.25Å; Y20-I96 HydrophobicContact CE2-CG1 3.94Å; Y20-I96 HydrophobicContact CE2-CG2 4.19Å; Y20-I96 HydrophobicContact CG-CD1 4.42Å; Y20-V326 VanDerWaalsContact OH-CG1 3.22Å; Y20-V326 WeakPolarHBondContact OH-CG1 3.47Å
21	I	94.3	Very high	80.2	Confident	41 Å²	41	76.5 Å²	76.5	21%	0.21	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.5	168	-61.8	171.1	0	0	0	107.6	E14 G37 I38 K40	E14-I21 HydrophobicContact CG-CG1 4.45Å; E14-I21 HydrophobicContact CG-CG2 3.53Å; E14-I21 WeakPolarHBondContact OE1-CD1 3.06Å; E14-I21 WeakPolarHBondContact OE1-CG1 3.42Å; I21-G37 CarbonylContact O-C 3.44Å; I21-G37 WeakPolarHBondContact O-CA 3.47Å; I21-I38 PolarHBondContact N-O 3.26Å; I21-I38 PolarHBondContact O-N 3.06Å; I21-K40 HydrophobicContact CD1-CD 4.23Å; I21-K40 HydrophobicContact CD1-CG 3.82Å; I21-K40 HydrophobicContact CG1-CD 3.98Å; I21-K40 HydrophobicContact CG1-CG 3.68Å
22	I	93.3	Very high	81.5	Confident	20 Å²	20	71.4 Å²	71.4	10%	0.103	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.3	-176.9	-60.1	-55.8	0	0	0	110.2	V15 I17 K35 V48	V15-I22 HydrophobicContact CB-CB 4.39Å; V15-I22 HydrophobicContact CG1-CB 4.29Å; V15-I22 PolarHBondContact O-N 3.28Å; I17-I22 HydrophobicContact CG2-CD1 3.56Å; I17-I22 HydrophobicContact CG2-CG1 3.75Å; I22-K35 HydrophobicContact CG2-CB 4.04Å; I22-K35 HydrophobicContact CG2-CD 3.55Å; I22-K35 HydrophobicContact CG2-CG 4.44Å; I22-V48 HydrophobicContact CD1-CB 4.07Å; I22-V48 HydrophobicContact CD1-CG1 4.02Å; I22-V48 HydrophobicContact CD1-CG2 3.7Å
23	G	92	Very high	83.1	Confident	33 Å²	33	69.5 Å²	69.5	34%	0.34	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-142	-179.8	0	0	0	0	0	114.1	K35 V36	G23-K35 PolarHBondContact O-NZ 3.45Å; G23-K35 VanDerWaalsContact O-NZ 3.07Å; G23-V36 PolarHBondContact N-O 3.16Å
24	E	92.6	Very high	84.4	Confident	160 Å²	160	65.9 Å²	65.9	75%	0.748	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	161.8	-175.5	-59.7	-172.8	163.3	0	0	112.8	K35 V36	E24-K35 CarbonylContact O-C 3.57Å; E24-K35 WeakPolarHBondContact O-CA 3.29Å; E24-K35 WeakPolarHBondContact O-CB 3.29Å; E24-V36 HydrophobicContact CB-CG1 4.38Å; E24-V36 PolarHBondContact O-N 2.89Å
25	T	92.6	Very high	85.3	Confident	66 Å²	66	63.5 Å²	63.5	41%	0.405	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.9	178.7	-50.3	0	0	0	0	109	G27 V28 K33 V34 K35	T25-G27 WeakPolarHBondContact CG2-O 2.99Å; T25-V28 HydrophobicContact CG2-CG2 4.37Å; T25-K33 HydrophobicContact CG2-CB 4.36Å; T25-V34 CarbonylContact C-O 3.51Å; T25-V34 WeakPolarHBondContact CG2-O 3.38Å; T25-K35 HydrophobicContact CG2-CG 4.49Å; T25-K35 PolarHBondContact OG1-NZ 3.4Å; T25-K35 VanDerWaalsContact OG1-NZ 3.14Å
26	L	88.1	Confident	85.7	Confident	84 Å²	84	60 Å²	60	44%	0.44	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-37.3	176.5	-63.1	174.1	0	0	0	111.4	V34 V36 A47 Y99	L26-V34 HydrophobicContact CB-CG1 4.37Å; L26-V34 HydrophobicContact CD1-CG1 4.33Å; L26-V34 PolarHBondContact N-O 2.94Å; L26-V36 HydrophobicContact CD1-CB 4.14Å; L26-V36 HydrophobicContact CD2-CB 4.2Å; L26-V36 HydrophobicContact CG-CB 4.19Å; L26-A47 HydrophobicContact CD1-CB 4.28Å; L26-Y99 HydrophobicContact CD1-CD2 3.79Å; L26-Y99 HydrophobicContact CD1-CE2 3.73Å; L26-Y99 HydrophobicContact CD2-CE2 3.9Å; L26-Y99 HydrophobicContact CG-CE2 4.49Å
27	G	82.7	Confident	85.9	Confident	29 Å²	29	53.4 Å²	53.4	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	166	-177.9	0	0	0	0	0	113.1	T25 V34	T25-G27 WeakPolarHBondContact CG2-O 2.99Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 3.33Å
28	V	79.3	Confident	86.3	Confident	113 Å²	113	55.8 Å²	55.8	69%	0.685	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.1	177.1	-176.3	0	0	0	0	108.2	T25 K33	T25-V28 HydrophobicContact CG2-CG2 4.37Å; V28-K33 HydrophobicContact CG2-CG 4.4Å
29	G	68.8	Low	86.6	Confident	40 Å²	40	53.2 Å²	53.2	41%	0.412	31%	0.309	S	S	.	.			trans	-101.2	178.7	175.7	0	0	0	0	0	112.3	F31 G32	G29-F31 VanDerWaalsContact C-N 3.35Å; G29-F31 PolarHBondContact O-N 3.12Å; G29-G32 CarbonylContact C-O 3.51Å; G29-G32 PolarHBondContact N-O 3.25Å; G29-G32 PolarHBondContact O-N 3.38Å; G29-G32 VanDerWaalsContact O-O 3.1Å
30	T	64	Low	86.8	Confident	118 Å²	118	54.9 Å²	54.9	72%	0.724	31%	0.313	S	S	*	.	S	Bend	trans	-59.8	-42.1	179.3	51.7	0	0	0	0	112.8
31	F	67	Low	86.4	Confident	43 Å²	43	57 Å²	57	19%	0.189	33%	0.328	C	S	.	.	S	Bend	trans	-95.6	-7.1	-175.4	-55.7	-70.7	0	0	0	114.3	G29 V51 L59 V61	G29-F31 VanDerWaalsContact C-N 3.35Å; G29-F31 PolarHBondContact O-N 3.12Å; F31-V51 HydrophobicContact CB-CG1 3.79Å; F31-L59 HydrophobicContact CD1-CD1 4.18Å; F31-L59 HydrophobicContact CE1-CD1 3.88Å; F31-V61 HydrophobicContact CD1-CG2 4.38Å; F31-V61 HydrophobicContact CE1-CG1 4.42Å; F31-V61 HydrophobicContact CE1-CG2 3.89Å
32	G	76.3	Confident	86.1	Confident	18 Å²	18	56.5 Å²	56.5	19%	0.186	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-161.2	-173.2	0	0	0	0	0	115.5	G29 I50	G29-G32 CarbonylContact C-O 3.51Å; G29-G32 PolarHBondContact N-O 3.25Å; G29-G32 PolarHBondContact O-N 3.38Å; G29-G32 VanDerWaalsContact O-O 3.1Å; G32-I50 VanDerWaalsContact CA-O 3.25Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å
33	K	88.8	Confident	85.9	Confident	111 Å²	111	58 Å²	58	48%	0.483	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.2	-176.4	-61.8	-176.8	-178.4	-179	0	110	T25 V28 I50	T25-K33 HydrophobicContact CG2-CB 4.36Å; V28-K33 HydrophobicContact CG2-CG 4.4Å; K33-I50 PolarHBondContact N-O 2.93Å; K33-I50 PolarHBondContact O-N 3.45Å
34	V	91	Very high	85.8	Confident	34 Å²	34	57.3 Å²	57.3	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.1	168.9	-173.2	0	0	0	0	107.8	T25 L26 G27 A47 V48 K49	T25-V34 CarbonylContact C-O 3.51Å; T25-V34 WeakPolarHBondContact CG2-O 3.38Å; L26-V34 HydrophobicContact CB-CG1 4.37Å; L26-V34 HydrophobicContact CD1-CG1 4.33Å; L26-V34 PolarHBondContact N-O 2.94Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 3.33Å; V34-A47 HydrophobicContact CG1-CB 4.2Å; V34-V48 CarbonylContact C-O 3.52Å; V34-V48 WeakPolarHBondContact CA-O 3.32Å; V34-K49 HydrophobicContact CG2-CB 4.16Å; V34-K49 HydrophobicContact CG2-CG 4.19Å
35	K	94.1	Very high	85.8	Confident	49 Å²	49	54.5 Å²	54.5	21%	0.213	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152	179.5	-73.2	179.5	155.6	-70.5	0	110.6	I22 G23 E24 T25 V48 I50	I22-K35 HydrophobicContact CG2-CB 4.04Å; I22-K35 HydrophobicContact CG2-CD 3.55Å; I22-K35 HydrophobicContact CG2-CG 4.44Å; G23-K35 PolarHBondContact O-NZ 3.45Å; G23-K35 VanDerWaalsContact O-NZ 3.07Å; E24-K35 CarbonylContact O-C 3.57Å; E24-K35 WeakPolarHBondContact O-CA 3.29Å; E24-K35 WeakPolarHBondContact O-CB 3.29Å; T25-K35 HydrophobicContact CG2-CG 4.49Å; T25-K35 PolarHBondContact OG1-NZ 3.4Å; T25-K35 VanDerWaalsContact OG1-NZ 3.14Å; K35-V48 PolarHBondContact N-O 2.75Å; K35-V48 PolarHBondContact O-N 3.03Å; K35-I50 HydrophobicContact CD-CD1 3.82Å; K35-I50 HydrophobicContact CG-CD1 4.43Å
36	V	94.3	Very high	85.9	Confident	22 Å²	22	51.3 Å²	51.3	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.8	167.3	65	0	0	0	0	108.9	G23 E24 L26 V46 Y99	G23-V36 PolarHBondContact N-O 3.16Å; E24-V36 HydrophobicContact CB-CG1 4.38Å; E24-V36 PolarHBondContact O-N 2.89Å; L26-V36 HydrophobicContact CD1-CB 4.14Å; L26-V36 HydrophobicContact CD2-CB 4.2Å; L26-V36 HydrophobicContact CG-CB 4.19Å; V36-V46 CarbonylContact C-O 3.45Å; V36-Y99 HydrophobicContact CG2-CE2 4.49Å
37	G	94.5	Very high	86.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.9	171.2	0	0	0	0	0	110.5	I21 Q45 V46	I21-G37 CarbonylContact O-C 3.44Å; I21-G37 WeakPolarHBondContact O-CA 3.47Å; G37-Q45 CarbonylContact O-C 3.55Å; G37-Q45 WeakPolarHBondContact O-CA 3.26Å; G37-V46 PolarHBondContact N-O 3.39Å; G37-V46 WeakPolarHBondContact O-CG2 3.26Å; G37-V46 PolarHBondContact O-N 3.16Å
38	I	94.4	Very high	86.6	Confident	71 Å²	71	46.4 Å²	46.4	36%	0.364	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122	172.4	-59.4	174.4	0	0	0	107.8	Y20 I21 K40 Q45	Y20-I38 CarbonylContact C-O 3.54Å; Y20-I38 WeakPolarHBondContact CA-O 3.14Å; I21-I38 PolarHBondContact N-O 3.26Å; I21-I38 PolarHBondContact O-N 3.06Å; I38-K40 PolarHBondContact O-N 2.85Å; I38-Q45 HydrophobicContact CG1-CG 4.38Å
39	H	91.3	Very high	87.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.3	174.1	-171.4	-124.2	0	0	0	109.8	Y20 S41 T42 G43 V44 L330	Y20-H39 HydrophobicContact CD1-CB 3.88Å; Y20-H39 AromaticContact CD1-CD2 3.97Å; Y20-H39 HydrophobicContact CE1-CB 3.63Å; Y20-H39 AromaticContact CE1-CD2 3.47Å; Y20-H39 VanDerWaalsContact CE1-CD2 3.47Å; Y20-H39 WeakPolarHBondContact CE1-CD2 3.26Å; Y20-H39 AromaticContact CE1-CG 3.83Å; Y20-H39 AromaticContact CZ-CD2 3.54Å; H39-S41 PolarHBondContact CE1-OG 2.82Å; H39-S41 PolarHBondContact ND1-OG 3.35Å; H39-S41 PolarHBondContact O-N 3.4Å; H39-T42 WeakPolarHBondContact ND1-CG2 3.23Å; H39-T42 PolarHBondContact ND1-OG1 3.23Å; H39-G43 VanDerWaalsContact O-CA 3.23Å; H39-G43 WeakPolarHBondContact O-CA 3.07Å; H39-G43 PolarHBondContact O-N 3.16Å; H39-V44 PolarHBondContact N-O 2.93Å; H39-L330 HydrophobicContact CB-CD1 4.05Å
40	K	90.5	Very high	88	Confident	100 Å²	100	41.8 Å²	41.8	44%	0.435	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-39.2	-168.3	-74	-172.7	76.4	-164.7	0	114	N19 I21 I38	N19-K40 WeakPolarHBondContact O-CB 3.46Å; N19-K40 WeakPolarHBondContact O-CG 3.29Å; N19-K40 PolarHBondContact O-N 3.28Å; I21-K40 HydrophobicContact CD1-CD 4.23Å; I21-K40 HydrophobicContact CD1-CG 3.82Å; I21-K40 HydrophobicContact CG1-CD 3.98Å; I21-K40 HydrophobicContact CG1-CG 3.68Å; I38-K40 PolarHBondContact O-N 2.85Å
41	S	85.1	Confident	88.9	Confident	43 Å²	43	36.3 Å²	36.3	30%	0.301	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-39	-176.9	47.2	0	0	0	0	112.4	H39 A303	H39-S41 PolarHBondContact CE1-OG 2.82Å; H39-S41 PolarHBondContact ND1-OG 3.35Å; H39-S41 PolarHBondContact O-N 3.4Å; S41-A303 WeakPolarHBondContact CB-O 3.41Å
42	T	87.5	Confident	89.6	Confident	31 Å²	31	36.3 Å²	36.3	19%	0.19	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14.5	-176.6	64.8	0	0	0	0	113.8	H39 V44 A303 A327 I331	H39-T42 WeakPolarHBondContact ND1-CG2 3.23Å; H39-T42 PolarHBondContact ND1-OG1 3.23Å; T42-V44 PolarHBondContact O-N 2.83Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.47Å; T42-A303 HydrophobicContact CG2-CB 4.27Å; T42-A327 HydrophobicContact CG2-CB 4.13Å; T42-I331 HydrophobicContact CG2-CD1 4.15Å; T42-I331 HydrophobicContact CG2-CG1 4.3Å
43	G	89.1	Confident	89.9	Confident	52 Å²	52	37.6 Å²	37.6	54%	0.536	20%	0.2	S	C	.	.			trans	71.3	1.9	-174.8	0	0	0	0	0	114.8	H39	H39-G43 VanDerWaalsContact O-CA 3.23Å; H39-G43 WeakPolarHBondContact O-CA 3.07Å; H39-G43 PolarHBondContact O-N 3.16Å
44	V	89.8	Confident	89.5	Confident	19 Å²	19	37.2 Å²	37.2	12%	0.115	20%	0.204	C	C	.	.			trans	-74.8	136.4	-173.5	179.4	0	0	0	0	111.1	H39 T42 L330 N334	H39-V44 PolarHBondContact N-O 2.93Å; T42-V44 PolarHBondContact O-N 2.83Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.47Å; V44-L330 HydrophobicContact CG1-CD2 4.09Å; V44-N334 WeakPolarHBondContact CG2-ND2 3.31Å
45	Q	93.6	Very high	88.7	Confident	100 Å²	100	40.9 Å²	40.9	47%	0.467	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.1	173.7	-67.2	-177.3	-53.7	0	0	111.3	G37 I38 Y99	G37-Q45 CarbonylContact O-C 3.55Å; G37-Q45 WeakPolarHBondContact O-CA 3.26Å; I38-Q45 HydrophobicContact CG1-CG 4.38Å; Q45-Y99 HydrophobicContact CB-CD1 3.73Å; Q45-Y99 HydrophobicContact CB-CE1 4.38Å; Q45-Y99 HydrophobicContact CB-CG 4.21Å
46	V	93.5	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.2	179	-63.5	0	0	0	0	110.5	Y20 V36 G37 V48 Y84 I96 L330	Y20-V46 HydrophobicContact CD1-CG2 3.51Å; Y20-V46 HydrophobicContact CE1-CB 4.47Å; Y20-V46 HydrophobicContact CE1-CG1 3.98Å; Y20-V46 HydrophobicContact CE1-CG2 3.76Å; Y20-V46 HydrophobicContact CG-CG2 4.48Å; V36-V46 CarbonylContact C-O 3.45Å; G37-V46 PolarHBondContact N-O 3.39Å; G37-V46 WeakPolarHBondContact O-CG2 3.26Å; G37-V46 PolarHBondContact O-N 3.16Å; V46-V48 HydrophobicContact CG2-CG2 4.01Å; V46-Y84 HydrophobicContact CG1-CD2 4.22Å; V46-Y84 HydrophobicContact CG1-CE2 4.3Å; V46-I96 HydrophobicContact CB-CG2 3.85Å; V46-I96 HydrophobicContact CG1-CG2 4.01Å; V46-I96 HydrophobicContact CG2-CG2 3.86Å; V46-L330 HydrophobicContact CG1-CD2 3.81Å
47	A	93.7	Very high	86.7	Confident	9 Å²	9	44.3 Å²	44.3	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.7	169.9	0	0	0	0	0	109.5	L26 V34 M97	L26-A47 HydrophobicContact CD1-CB 4.28Å; V34-A47 HydrophobicContact CG1-CB 4.2Å; A47-M97 HydrophobicContact CB-CB 4.41Å; A47-M97 HydrophobicContact CB-CE 4.39Å; A47-M97 PolarHBondContact N-O 3.5Å; A47-M97 PolarHBondContact O-N 2.82Å
48	V	92.7	Very high	85.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.3	-176.6	-176.3	0	0	0	0	109.4	I22 V34 K35 V46 I50 F94 M95 I96	I22-V48 HydrophobicContact CD1-CB 4.07Å; I22-V48 HydrophobicContact CD1-CG1 4.02Å; I22-V48 HydrophobicContact CD1-CG2 3.7Å; V34-V48 CarbonylContact C-O 3.52Å; V34-V48 WeakPolarHBondContact CA-O 3.32Å; K35-V48 PolarHBondContact N-O 2.75Å; K35-V48 PolarHBondContact O-N 3.03Å; V46-V48 HydrophobicContact CG2-CG2 4.01Å; V48-I50 HydrophobicContact CG1-CG1 4.06Å; V48-F94 HydrophobicContact CG1-CB 4.28Å; V48-F94 HydrophobicContact CG1-CD1 3.93Å; V48-M95 WeakPolarHBondContact CA-O 3.27Å; V48-I96 HydrophobicContact CB-CD1 4.37Å; V48-I96 HydrophobicContact CG1-CD1 3.92Å; V48-I96 HydrophobicContact CG2-CD1 3.76Å
49	K	88.9	Confident	84.6	Confident	25 Å²	25	50.2 Å²	50.2	11%	0.109	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.3	173.7	-177.8	177.8	-171.6	178.3	0	108.6	V34 V51 E68 F94 M95 M97 D161	V34-K49 HydrophobicContact CG2-CB 4.16Å; V34-K49 HydrophobicContact CG2-CG 4.19Å; K49-V51 HydrophobicContact CG-CG2 4.17Å; K49-E68 IonicContact NZ-OE1 2.89Å; K49-E68 PolarHBondContact NZ-OE1 3.31Å; K49-F94 WeakPolarHBondContact O-CA 3.25Å; K49-M95 HydrophobicContact CB-CB 4.23Å; K49-M95 HydrophobicContact CD-SD 4.19Å; K49-M95 PolarHBondContact N-O 3.23Å; K49-M95 PolarHBondContact O-N 3.26Å; K49-M97 HydrophobicContact CB-CE 3.58Å; K49-M97 HydrophobicContact CB-SD 4.37Å; K49-M97 HydrophobicContact CD-CE 4.32Å; K49-D161 IonicContact NZ-OD1 3.34Å; K49-D161 PolarHBondContact NZ-OD1 3.13Å
50	I	89.1	Confident	83.8	Confident	32 Å²	32	57 Å²	57	16%	0.164	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.3	-176.8	-50.9	176.2	0	0	0	108.2	G32 K33 K35 V48 D92 F94	G32-I50 VanDerWaalsContact CA-O 3.25Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å; K33-I50 PolarHBondContact N-O 2.93Å; K33-I50 PolarHBondContact O-N 3.45Å; K35-I50 HydrophobicContact CD-CD1 3.82Å; K35-I50 HydrophobicContact CG-CD1 4.43Å; V48-I50 HydrophobicContact CG1-CG1 4.06Å; I50-D92 HydrophobicContact CG2-CB 4.14Å; I50-F94 HydrophobicContact CB-CD1 4.43Å; I50-F94 HydrophobicContact CB-CE1 4.43Å; I50-F94 HydrophobicContact CD1-CD1 4.28Å; I50-F94 HydrophobicContact CD1-CE1 3.96Å; I50-F94 HydrophobicContact CG1-CD1 3.77Å; I50-F94 HydrophobicContact CG1-CE1 3.87Å; I50-F94 HydrophobicContact CG2-CD1 4.19Å; I50-F94 HydrophobicContact CG2-CE1 3.83Å; I50-F94 HydrophobicContact CG2-CZ 4.19Å
51	V	81.9	Confident	82.8	Confident	2 Å²	2	53 Å²	53	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.7	-176.9	-164	0	0	0	0	110.1	F31 K49 I56 L65 D92 I93	F31-V51 HydrophobicContact CB-CG1 3.79Å; K49-V51 HydrophobicContact CG-CG2 4.17Å; V51-I56 HydrophobicContact CB-CD1 4.25Å; V51-I56 HydrophobicContact CG1-CD1 3.54Å; V51-I56 HydrophobicContact CG1-CG1 3.78Å; V51-L65 HydrophobicContact CG1-CD2 4.11Å; V51-D92 CarbonylContact O-C 3.59Å; V51-D92 WeakPolarHBondContact O-CA 3.44Å; V51-I93 PolarHBondContact N-O 3.4Å; V51-I93 PolarHBondContact O-N 3.09Å
52	N	82.5	Confident	82.1	Confident	43 Å²	43	53.5 Å²	53.5	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129	-175.9	-179.1	-92	0	0	0	112.2	D54 K55 I56 D92	N52-D54 VanDerWaalsContact C-N 3.35Å; N52-D54 PolarHBondContact O-N 3.34Å; N52-D54 WeakPolarHBondContact OD1-CB 3.02Å; N52-D54 PolarHBondContact OD1-N 3.01Å; N52-D54 VanDerWaalsContact OD1-N 3.07Å; N52-K55 HydrophobicContact CB-CB 4.28Å; N52-K55 HydrophobicContact CB-CD 4.24Å; N52-K55 HydrophobicContact CB-CG 4.14Å; N52-K55 PolarHBondContact O-N 3.2Å; N52-K55 PolarHBondContact OD1-N 2.98Å; N52-K55 VanDerWaalsContact OD1-N 3.08Å; N52-I56 WeakPolarHBondContact O-CD1 3.33Å; N52-I56 WeakPolarHBondContact O-CG1 3.28Å; N52-I56 PolarHBondContact O-N 3.39Å; N52-I56 VanDerWaalsContact O-N 3.12Å; N52-D92 WeakPolarHBondContact CA-OD1 3.49Å; N52-D92 PolarHBondContact ND2-OD1 3.18Å; N52-D92 VanDerWaalsContact ND2-OD1 3.1Å
53	R	80.8	Confident	81.1	Confident	45 Å²	45	54.5 Å²	54.5	17%	0.17	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-35.7	-176.4	-73.2	175.4	163	-91.4	-0.3	113.2	I56 K57 S88 T89 P90 T91 I93	R53-I56 PolarHBondContact O-N 3.31Å; R53-K57 WeakPolarHBondContact O-CG 3.47Å; R53-K57 PolarHBondContact O-N 2.79Å; R53-S88 PolarHBondContact NH2-OG 2.75Å; R53-T89 WeakPolarHBondContact CD-O 3.41Å; R53-T89 PolarHBondContact NE-O 3.19Å; R53-P90 WeakPolarHBondContact CD-O 3.46Å; R53-T91 VanDerWaalsContact CB-O 3.27Å; R53-T91 WeakPolarHBondContact CB-O 3.47Å; R53-T91 WeakPolarHBondContact CG-O 3.35Å; R53-T91 PolarHBondContact N-O 3.43Å; R53-I93 HydrophobicContact CG-CD1 4.41Å; R53-I93 HydrophobicContact CG-CG1 4.11Å
54	D	80.5	Confident	80.1	Confident	103 Å²	103	59 Å²	59	55%	0.551	32%	0.322	S	S	*	.	H	α-helix	trans	-70.3	-38.9	179.9	-60.6	-34.9	0	0	0	111.1	N52 I56 K57 A58	N52-D54 VanDerWaalsContact C-N 3.35Å; N52-D54 PolarHBondContact O-N 3.34Å; N52-D54 WeakPolarHBondContact OD1-CB 3.02Å; N52-D54 PolarHBondContact OD1-N 3.01Å; N52-D54 VanDerWaalsContact OD1-N 3.07Å; D54-I56 VanDerWaalsContact C-N 3.34Å; D54-I56 PolarHBondContact O-N 2.82Å; D54-K57 PolarHBondContact O-N 3.38Å; D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.38Å; D54-A58 PolarHBondContact O-N 2.95Å
55	K	75.9	Confident	79.2	Confident	112 Å²	112	58.8 Å²	58.8	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-40.8	171.7	-69.4	-171.3	178.7	-173.7	0	112.4	N52 A58 L59	N52-K55 HydrophobicContact CB-CB 4.28Å; N52-K55 HydrophobicContact CB-CD 4.24Å; N52-K55 HydrophobicContact CB-CG 4.14Å; N52-K55 PolarHBondContact O-N 3.2Å; N52-K55 PolarHBondContact OD1-N 2.98Å; N52-K55 VanDerWaalsContact OD1-N 3.08Å; K55-A58 PolarHBondContact O-N 3.2Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 3.22Å
56	I	71.9	Confident	78.1	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-67.6	157.6	0	0	0	110.9	V51 N52 R53 D54 D60 V61 A62 L65 I93	V51-I56 HydrophobicContact CB-CD1 4.25Å; V51-I56 HydrophobicContact CG1-CD1 3.54Å; V51-I56 HydrophobicContact CG1-CG1 3.78Å; N52-I56 WeakPolarHBondContact O-CD1 3.33Å; N52-I56 WeakPolarHBondContact O-CG1 3.28Å; N52-I56 PolarHBondContact O-N 3.39Å; N52-I56 VanDerWaalsContact O-N 3.12Å; R53-I56 PolarHBondContact O-N 3.31Å; D54-I56 VanDerWaalsContact C-N 3.34Å; D54-I56 PolarHBondContact O-N 2.82Å; I56-D60 PolarHBondContact O-N 3.45Å; I56-V61 HydrophobicContact CB-CG2 4.39Å; I56-V61 HydrophobicContact CG2-CG2 4.12Å; I56-V61 PolarHBondContact O-N 3.43Å; I56-A62 VanDerWaalsContact CG2-CA 3.47Å; I56-A62 HydrophobicContact CG2-CB 3.75Å; I56-L65 HydrophobicContact CD1-CD2 3.26Å; I56-L65 HydrophobicContact CG1-CD2 3.88Å; I56-I93 HydrophobicContact CD1-CD1 4.01Å
57	K	74.6	Confident	76.7	Confident	133 Å²	133	64 Å²	64	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-64.6	-44.6	178.6	-73	176	-179.6	177.9	0	111.5	R53 D54 L59 D60	R53-K57 WeakPolarHBondContact O-CG 3.47Å; R53-K57 PolarHBondContact O-N 2.79Å; D54-K57 PolarHBondContact O-N 3.38Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.39Å; K57-D60 PolarHBondContact O-N 3.17Å
58	A	72.6	Confident	75.6	Confident	86 Å²	86	64 Å²	64	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-62.6	-31.7	-178.9	0	0	0	0	0	113.2	D54 K55	D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.38Å; D54-A58 PolarHBondContact O-N 2.95Å; K55-A58 PolarHBondContact O-N 3.2Å
59	L	71.3	Confident	74.5	Confident	109 Å²	109	65.1 Å²	65.1	57%	0.571	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.6	-179.6	-64.4	174.2	0	0	0	114	F31 K55 K57 V61	F31-L59 HydrophobicContact CD1-CD1 4.18Å; F31-L59 HydrophobicContact CE1-CD1 3.88Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 3.22Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.39Å; L59-V61 VanDerWaalsContact C-N 3.26Å; L59-V61 HydrophobicContact CB-CG1 3.98Å; L59-V61 HydrophobicContact CB-CG2 4.05Å; L59-V61 WeakPolarHBondContact O-CG1 3.19Å; L59-V61 PolarHBondContact O-N 2.89Å
60	D	74.2	Confident	73.6	Confident	143 Å²	143	66 Å²	66	77%	0.765	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.7	-173.9	-166.4	30	0	0	0	113.4	I56 K57	I56-D60 PolarHBondContact O-N 3.45Å; K57-D60 PolarHBondContact O-N 3.17Å
61	V	70	Confident	72.4	Confident	18 Å²	18	65.4 Å²	65.4	11%	0.109	34%	0.343	C	S	.	.			trans	-107.5	8.2	-177.7	-63.8	0	0	0	0	113.7	F31 I56 L59 G63 K64 L65	F31-V61 HydrophobicContact CD1-CG2 4.38Å; F31-V61 HydrophobicContact CE1-CG1 4.42Å; F31-V61 HydrophobicContact CE1-CG2 3.89Å; I56-V61 HydrophobicContact CB-CG2 4.39Å; I56-V61 HydrophobicContact CG2-CG2 4.12Å; I56-V61 PolarHBondContact O-N 3.43Å; L59-V61 VanDerWaalsContact C-N 3.26Å; L59-V61 HydrophobicContact CB-CG1 3.98Å; L59-V61 HydrophobicContact CB-CG2 4.05Å; L59-V61 WeakPolarHBondContact O-CG1 3.19Å; L59-V61 PolarHBondContact O-N 2.89Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.21Å; V61-K64 HydrophobicContact CG1-CD 4.39Å; V61-K64 WeakPolarHBondContact O-CB 3.32Å; V61-K64 PolarHBondContact O-N 2.89Å; V61-L65 PolarHBondContact O-N 3.33Å
62	A	71	Confident	72	Confident	53 Å²	53	65.7 Å²	65.7	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-43.6	-176.1	0	0	0	0	0	112.9	I56 K64 L65 R66	I56-A62 VanDerWaalsContact CG2-CA 3.47Å; I56-A62 HydrophobicContact CG2-CB 3.75Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.41Å; A62-L65 PolarHBondContact O-N 3.37Å; A62-R66 WeakPolarHBondContact O-CB 3.32Å; A62-R66 PolarHBondContact O-N 3.37Å
63	G	66.3	Low	71.4	Confident	51 Å²	51	67.6 Å²	67.6	53%	0.526	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-36.5	177	0	0	0	0	0	113.1	V61 R67	V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.21Å; G63-R67 WeakPolarHBondContact O-CB 3.44Å; G63-R67 PolarHBondContact O-N 2.9Å
64	K	67.8	Low	70.9	Confident	148 Å²	148	70.8 Å²	70.8	64%	0.643	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-45.9	176.9	-65.9	178.5	-178.1	168.9	0	111.2	V61 A62 R67 E68	V61-K64 HydrophobicContact CG1-CD 4.39Å; V61-K64 WeakPolarHBondContact O-CB 3.32Å; V61-K64 PolarHBondContact O-N 2.89Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.41Å; K64-R67 WeakPolarHBondContact O-CB 3.14Å; K64-R67 PolarHBondContact O-N 3.34Å; K64-E68 PolarHBondContact O-N 2.88Å
65	L	71.5	Confident	70.8	Confident	14 Å²	14	66.2 Å²	66.2	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178.5	-178.4	66	0	0	0	112.1	V51 I56 V61 A62 R67 E68 I69 I93 M95	V51-L65 HydrophobicContact CG1-CD2 4.11Å; I56-L65 HydrophobicContact CD1-CD2 3.26Å; I56-L65 HydrophobicContact CG1-CD2 3.88Å; V61-L65 PolarHBondContact O-N 3.33Å; A62-L65 PolarHBondContact O-N 3.37Å; L65-R67 PolarHBondContact O-N 2.99Å; L65-E68 PolarHBondContact O-N 3.26Å; L65-I69 HydrophobicContact CD1-CD1 4.37Å; L65-I69 HydrophobicContact CD1-CG1 4.49Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.31Å; L65-I93 HydrophobicContact CD2-CD1 4.04Å; L65-M95 HydrophobicContact CD1-SD 4.45Å
66	R	70.2	Confident	71	Confident	119 Å²	119	67.2 Å²	67.2	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-57.2	-38.8	175.4	-173.8	175.7	-174.5	148.8	2.7	111	A62 L70	A62-R66 WeakPolarHBondContact O-CB 3.32Å; A62-R66 PolarHBondContact O-N 3.37Å; R66-L70 HydrophobicContact CG-CD1 4.42Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.33Å; R66-L70 PolarHBondContact O-N 2.92Å; R66-L70 VanDerWaalsContact O-N 3.09Å
67	R	64	Low	71.6	Confident	91 Å²	91	67.4 Å²	67.4	34%	0.343	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-42.5	177.7	-167.3	172.7	-67.2	-171	-1	112.5	G63 K64 L65 L70 N71 I167	G63-R67 WeakPolarHBondContact O-CB 3.44Å; G63-R67 PolarHBondContact O-N 2.9Å; K64-R67 WeakPolarHBondContact O-CB 3.14Å; K64-R67 PolarHBondContact O-N 3.34Å; L65-R67 PolarHBondContact O-N 2.99Å; R67-L70 PolarHBondContact O-N 2.7Å; R67-N71 VanDerWaalsContact O-CG 3.31Å; R67-N71 PolarHBondContact O-N 3.48Å; R67-I167 HydrophobicContact CG-CD1 3.46Å; R67-I167 VanDerWaalsContact CG-CD1 3.46Å; R67-I167 HydrophobicContact CG-CG1 3.99Å
68	E	69.1	Low	72.3	Confident	9 Å²	9	63.6 Å²	63.6	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-56	-50	172.9	-179.4	-173.5	168.8	0	0	110.7	K49 K64 L65 L70 N71 L72 F162 G163	K49-E68 IonicContact NZ-OE1 2.89Å; K49-E68 PolarHBondContact NZ-OE1 3.31Å; K64-E68 PolarHBondContact O-N 2.88Å; L65-E68 PolarHBondContact O-N 3.26Å; E68-L70 PolarHBondContact O-N 3.47Å; E68-N71 PolarHBondContact O-N 3.25Å; E68-L72 HydrophobicContact CG-CD1 3.91Å; E68-L72 WeakPolarHBondContact O-CB 3.29Å; E68-L72 PolarHBondContact O-N 2.71Å; E68-F162 HydrophobicContact CG-CB 4.21Å; E68-G163 PolarHBondContact OE1-N 3.32Å
69	I	71.3	Confident	73.3	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-49.2	177	-72.3	167.2	0	0	0	110.7	L65 N71 W73 L83 V86 I93 M95	L65-I69 HydrophobicContact CD1-CD1 4.37Å; L65-I69 HydrophobicContact CD1-CG1 4.49Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.31Å; I69-N71 PolarHBondContact O-N 3.01Å; I69-W73 VanDerWaalsContact O-CB 3.26Å; I69-W73 WeakPolarHBondContact O-CB 3.26Å; I69-W73 PolarHBondContact O-N 3.09Å; I69-L83 HydrophobicContact CG2-CD2 4.31Å; I69-V86 HydrophobicContact CD1-CG1 4.36Å; I69-V86 HydrophobicContact CG2-CG2 3.77Å; I69-I93 HydrophobicContact CD1-CG2 4.3Å; I69-M95 HydrophobicContact CG1-CE 3.99Å; I69-M95 HydrophobicContact CG1-CG 4.42Å; I69-M95 HydrophobicContact CG1-SD 4.05Å
70	L	68.4	Low	74.3	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.225	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-41.1	-178.7	-73.8	173.6	0	0	0	112.8	R66 R67 E68 W73 L74	R66-L70 HydrophobicContact CG-CD1 4.42Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.33Å; R66-L70 PolarHBondContact O-N 2.92Å; R66-L70 VanDerWaalsContact O-N 3.09Å; R67-L70 PolarHBondContact O-N 2.7Å; E68-L70 PolarHBondContact O-N 3.47Å; L70-W73 HydrophobicContact CD2-CE3 4.39Å; L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 2.66Å
71	N	64.6	Low	75.1	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-49.9	179.2	-70	-15.5	0	0	0	111.4	R67 E68 I69 W73 L74 F75 V139 I167	R67-N71 VanDerWaalsContact O-CG 3.31Å; R67-N71 PolarHBondContact O-N 3.48Å; E68-N71 PolarHBondContact O-N 3.25Å; I69-N71 PolarHBondContact O-N 3.01Å; N71-W73 PolarHBondContact O-N 2.78Å; N71-L74 PolarHBondContact O-N 3.48Å; N71-L74 VanDerWaalsContact O-N 3.13Å; N71-F75 VanDerWaalsContact O-CD1 3.26Å; N71-F75 WeakPolarHBondContact O-CD1 3.32Å; N71-F75 WeakPolarHBondContact O-CG 3.21Å; N71-F75 PolarHBondContact O-N 3Å; N71-V139 HydrophobicContact CB-CG2 4.22Å; N71-I167 VanDerWaalsContact ND2-CG1 3.26Å; N71-I167 WeakPolarHBondContact ND2-CG1 3.26Å; N71-I167 WeakPolarHBondContact OD1-CD1 3.45Å
72	L	73.1	Confident	76	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-33.7	177.5	-83.4	174.8	0	0	0	112.2	E68 L74 F75 L83 M95 F162	E68-L72 HydrophobicContact CG-CD1 3.91Å; E68-L72 WeakPolarHBondContact O-CB 3.29Å; E68-L72 PolarHBondContact O-N 2.71Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L72-F75 HydrophobicContact CD2-CD2 4.49Å; L72-F75 PolarHBondContact O-N 3.31Å; L72-L83 HydrophobicContact CB-CB 4.14Å; L72-L83 HydrophobicContact CB-CD2 4.03Å; L72-M95 HydrophobicContact CD1-CE 3.74Å; L72-F162 HydrophobicContact CD1-CB 4.38Å; L72-F162 HydrophobicContact CD2-CB 4.32Å; L72-F162 HydrophobicContact CD2-CD2 3.36Å; L72-F162 HydrophobicContact CD2-CE2 3.78Å; L72-F162 HydrophobicContact CD2-CG 3.94Å; L72-F162 HydrophobicContact CG-CB 4.27Å; L72-F162 HydrophobicContact CG-CD2 4.21Å; L72-F162 HydrophobicContact CG-CG 4.37Å
73	W	71	Confident	76.6	Confident	82 Å²	82	47.4 Å²	47.4	31%	0.311	23%	0.225	S	C	.	.	H	α-helix	trans	-68.7	-34	179.2	-157.7	13.9	0	0	0	114	I69 L70 N71 F75 L83 P320	I69-W73 VanDerWaalsContact O-CB 3.26Å; I69-W73 WeakPolarHBondContact O-CB 3.26Å; I69-W73 PolarHBondContact O-N 3.09Å; L70-W73 HydrophobicContact CD2-CE3 4.39Å; N71-W73 PolarHBondContact O-N 2.78Å; W73-F75 VanDerWaalsContact C-N 3.33Å; W73-L83 HydrophobicContact CB-CD2 4.19Å; W73-P320 HydrophobicContact CD2-CB 4.38Å; W73-P320 HydrophobicContact CD2-CG 4.19Å; W73-P320 HydrophobicContact CE3-CG 4.47Å; W73-P320 HydrophobicContact CH2-CB 4.03Å; W73-P320 HydrophobicContact CH2-CG 3.17Å; W73-P320 HydrophobicContact CZ2-CB 3.14Å; W73-P320 HydrophobicContact CZ2-CG 2.82Å; W73-P320 HydrophobicContact CZ3-CG 3.99Å
74	L	69.1	Low	77.4	Confident	112 Å²	112	46.2 Å²	46.2	59%	0.586	21%	0.205	S	C	*	.	H	α-helix	trans	-80.7	-18.9	178.9	-67.2	173.6	0	0	0	112	L70 N71 L72 R76	L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 2.66Å; N71-L74 PolarHBondContact O-N 3.48Å; N71-L74 VanDerWaalsContact O-N 3.13Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L74-R76 PolarHBondContact O-N 3.06Å
75	F	78.3	Confident	78.2	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.031	18%	0.176	C	C	.	.			trans	-73.2	117.4	-177.9	-71.4	-5.2	0	0	0	112	N71 L72 W73 I80 Y133 H137 V139 F162	N71-F75 VanDerWaalsContact O-CD1 3.26Å; N71-F75 WeakPolarHBondContact O-CD1 3.32Å; N71-F75 WeakPolarHBondContact O-CG 3.21Å; N71-F75 PolarHBondContact O-N 3Å; L72-F75 HydrophobicContact CD2-CD2 4.49Å; L72-F75 PolarHBondContact O-N 3.31Å; W73-F75 VanDerWaalsContact C-N 3.33Å; F75-I80 HydrophobicContact CB-CG2 4.39Å; F75-I80 HydrophobicContact CD2-CD1 4.24Å; F75-I80 HydrophobicContact CD2-CG2 4.02Å; F75-Y133 HydrophobicContact CB-CE1 4.16Å; F75-Y133 HydrophobicContact CD1-CD1 4.45Å; F75-Y133 AromaticContact CD1-CE1 3.8Å; F75-Y133 HydrophobicContact CD1-CE1 3.8Å; F75-Y133 HydrophobicContact CE1-CE1 4.43Å; F75-Y133 HydrophobicContact CG-CE1 4.08Å; F75-H137 HydrophobicContact CE1-CB 3.61Å; F75-H137 AromaticContact CE1-CG 3.94Å; F75-H137 HydrophobicContact CZ-CB 4.32Å; F75-V139 HydrophobicContact CE1-CG2 4.18Å; F75-V139 HydrophobicContact CE2-CG1 4.36Å; F75-V139 HydrophobicContact CZ-CB 3.73Å; F75-V139 HydrophobicContact CZ-CG1 4.01Å; F75-V139 HydrophobicContact CZ-CG2 3.61Å; F75-F162 HydrophobicContact CD2-CE1 4.31Å; F75-F162 HydrophobicContact CD2-CZ 4.17Å; F75-F162 HydrophobicContact CE2-CD1 4.16Å; F75-F162 AromaticContact CE2-CE1 3.62Å; F75-F162 HydrophobicContact CE2-CE1 3.62Å; F75-F162 AromaticContact CE2-CZ 3.92Å; F75-F162 HydrophobicContact CE2-CZ 3.92Å
76	R	79.8	Confident	78.7	Confident	133 Å²	133	41 Å²	41	50%	0.502	19%	0.185	S	C	.	.			trans	-125.1	90.9	169.9	-68.8	-169.2	172.2	115.2	-8.9	108.7	L74 Y133 H329	L74-R76 PolarHBondContact O-N 3.06Å; R76-Y133 PolarHBondContact N-OH 3.4Å; R76-Y133 VanDerWaalsContact N-OH 3.13Å; R76-Y133 PolarHBondContact O-OH 3.33Å; R76-H329 PolarHBondContact NH2-NE2 3.45Å
77	H	84.9	Confident	79.3	Confident	13 Å²	13	36.8 Å²	36.8	6%	0.06	17%	0.171	C	C	.	.			trans	-142.9	139	-178.3	-171.5	-92.4	0	0	0	110.9	H79 I80 S129 G130 Y133	H77-H79 AromaticContact CE1-CD2 3.85Å; H77-H79 PolarHBondContact ND1-N 3.39Å; H77-H79 PolarHBondContact O-N 3.42Å; H77-I80 HydrophobicContact CB-CB 4.11Å; H77-I80 HydrophobicContact CB-CD1 3.77Å; H77-I80 HydrophobicContact CB-CG1 3.94Å; H77-I80 PolarHBondContact O-N 3.05Å; H77-S129 PolarHBondContact CE1-OG 2.78Å; H77-S129 PolarHBondContact NE2-OG 3.15Å; H77-S129 VanDerWaalsContact NE2-OG 3.1Å; H77-G130 VanDerWaalsContact CE1-CA 3.48Å; H77-G130 WeakPolarHBondContact CE1-CA 3.14Å; H77-G130 PolarHBondContact CE1-N 3.16Å; H77-Y133 HydrophobicContact CB-CD1 3.84Å; H77-Y133 HydrophobicContact CB-CD2 4.24Å; H77-Y133 HydrophobicContact CB-CE1 4Å; H77-Y133 HydrophobicContact CB-CE2 4.4Å; H77-Y133 HydrophobicContact CB-CG 3.95Å; H77-Y133 AromaticContact CD2-CD2 3.54Å; H77-Y133 AromaticContact CD2-CG 3.55Å; H77-Y133 AromaticContact CG-CG 3.86Å
78	P	89.8	Confident	80	Confident	53 Å²	53	34.6 Å²	34.6	34%	0.344	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.4	-177.5	22.4	-34.3	0	0	0	113.7	K158	P78-K158 VanDerWaalsContact O-CD 3.27Å; P78-K158 WeakPolarHBondContact O-CD 3.4Å; P78-K158 WeakPolarHBondContact O-CE 3.23Å; P78-K158 PolarHBondContact O-NZ 3.31Å
79	H	94.2	Very high	80.5	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.019	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	20.7	-178.2	-57.1	-59.6	0	0	0	114.5	H77 Q126 V157 I159 L280	H77-H79 AromaticContact CE1-CD2 3.85Å; H77-H79 PolarHBondContact ND1-N 3.39Å; H77-H79 PolarHBondContact O-N 3.42Å; H79-Q126 WeakPolarHBondContact CB-O 2.99Å; H79-Q126 VanDerWaalsContact CE1-CG 3.41Å; H79-Q126 WeakPolarHBondContact CE1-CG 3.42Å; H79-V157 VanDerWaalsContact CA-O 3.29Å; H79-V157 WeakPolarHBondContact CA-O 3.39Å; H79-V157 WeakPolarHBondContact CB-O 3.26Å; H79-V157 PolarHBondContact ND1-O 2.77Å; H79-I159 WeakPolarHBondContact O-CG1 3.32Å; H79-I159 PolarHBondContact O-N 2.99Å; H79-L280 WeakPolarHBondContact NE2-CD2 3.35Å
80	I	92	Very high	81.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-127.4	135.7	173	-59.6	175.3	0	0	0	107.9	F75 H77 K82 Y133 C134 F162	F75-I80 HydrophobicContact CB-CG2 4.39Å; F75-I80 HydrophobicContact CD2-CD1 4.24Å; F75-I80 HydrophobicContact CD2-CG2 4.02Å; H77-I80 HydrophobicContact CB-CB 4.11Å; H77-I80 HydrophobicContact CB-CD1 3.77Å; H77-I80 HydrophobicContact CB-CG1 3.94Å; H77-I80 PolarHBondContact O-N 3.05Å; I80-K82 PolarHBondContact O-N 2.84Å; I80-Y133 HydrophobicContact CD1-CD1 3.55Å; I80-Y133 HydrophobicContact CD1-CE1 4.3Å; I80-Y133 HydrophobicContact CD1-CG 4.3Å; I80-C134 VanDerWaalsContact CD1-SG 3.52Å; I80-F162 HydrophobicContact CG2-CE2 3.71Å; I80-F162 HydrophobicContact CG2-CZ 3.76Å
81	I	91.1	Very high	81.8	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.056	22%	0.223	C	C	.	.			trans	-59.7	124.6	175.1	-69.5	-66.7	0	0	0	109.9	M97 E98 V100 L150 K158 I159 A160	I81-M97 HydrophobicContact CG2-CB 3.92Å; I81-E98 HydrophobicContact CD1-CB 4.28Å; I81-E98 HydrophobicContact CG2-CB 4.24Å; I81-V100 HydrophobicContact CD1-CB 4.47Å; I81-V100 HydrophobicContact CD1-CG1 3.68Å; I81-V100 HydrophobicContact CD1-CG2 3.86Å; I81-L150 HydrophobicContact CD1-CD1 4.42Å; I81-K158 HydrophobicContact CD1-CB 3.7Å; I81-K158 HydrophobicContact CD1-CD 4.46Å; I81-K158 HydrophobicContact CD1-CG 4.36Å; I81-K158 HydrophobicContact CG1-CB 4.12Å; I81-I159 WeakPolarHBondContact CG1-O 3.47Å; I81-I159 PolarHBondContact N-O 2.78Å; I81-A160 HydrophobicContact CG1-CB 3.89Å
82	K	88.3	Confident	82.7	Confident	42 Å²	42	42.9 Å²	42.9	18%	0.183	23%	0.226	C	C	.	.			trans	-79.6	143.3	179.6	-62	172.4	-179.1	169.8	0	111.5	I80 Y84 M97 E98 D333	I80-K82 PolarHBondContact O-N 2.84Å; K82-Y84 HydrophobicContact CB-CE1 4.09Å; K82-Y84 HydrophobicContact CD-CE1 4.41Å; K82-M97 CarbonylContact O-C 3.49Å; K82-M97 WeakPolarHBondContact O-CA 3.45Å; K82-M97 WeakPolarHBondContact O-CB 3.29Å; K82-E98 HydrophobicContact CB-CB 4.29Å; K82-E98 PolarHBondContact O-N 3.39Å; K82-D333 WeakPolarHBondContact CD-OD2 3.47Å; K82-D333 IonicContact NZ-OD1 2.64Å; K82-D333 PolarHBondContact NZ-OD1 2.76Å; K82-D333 IonicContact NZ-OD2 3.13Å; K82-D333 PolarHBondContact NZ-OD2 3.38Å
83	L	83.5	Confident	83.1	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.3	168.2	179.1	67.1	0	0	0	109.1	I69 L72 W73 V86 M95 M97	I69-L83 HydrophobicContact CG2-CD2 4.31Å; L72-L83 HydrophobicContact CB-CB 4.14Å; L72-L83 HydrophobicContact CB-CD2 4.03Å; W73-L83 HydrophobicContact CB-CD2 4.19Å; L83-V86 HydrophobicContact CD1-CG2 4.14Å; L83-V86 HydrophobicContact CD2-CG2 3.85Å; L83-V86 HydrophobicContact CG-CG2 4.31Å; L83-M95 HydrophobicContact CD1-CB 3.78Å; L83-M95 HydrophobicContact CD1-CE 4.24Å; L83-M95 HydrophobicContact CD1-CG 4.42Å; L83-M95 HydrophobicContact CD2-CE 4.48Å; L83-M97 HydrophobicContact CD1-CG 3.83Å
84	Y	83.8	Confident	83.9	Confident	26 Å²	26	40.7 Å²	40.7	10%	0.102	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-46.7	-179.3	-60.8	-50.2	0	0	0	112.4	V46 K82 I96 E98 L330 D333	V46-Y84 HydrophobicContact CG1-CD2 4.22Å; V46-Y84 HydrophobicContact CG1-CE2 4.3Å; K82-Y84 HydrophobicContact CB-CE1 4.09Å; K82-Y84 HydrophobicContact CD-CE1 4.41Å; Y84-I96 HydrophobicContact CD2-CG2 4.43Å; Y84-I96 PolarHBondContact N-O 3.38Å; Y84-E98 HydrophobicContact CE2-CB 4.28Å; Y84-L330 HydrophobicContact CD1-CD2 4.4Å; Y84-L330 HydrophobicContact CD2-CD2 3.56Å; Y84-L330 HydrophobicContact CE1-CD2 4.33Å; Y84-L330 HydrophobicContact CE2-CD2 3.43Å; Y84-L330 VanDerWaalsContact CE2-CD2 3.43Å; Y84-L330 HydrophobicContact CG-CD2 4.05Å; Y84-D333 WeakPolarHBondContact CE1-OD2 3.45Å; Y84-D333 PolarHBondContact OH-OD2 3.26Å
85	Q	83.3	Confident	84.6	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.5	-173.9	-168.3	172.6	34.3	0	0	111	I87 I96 S321 V326	Q85-I87 HydrophobicContact CG-CG1 4.19Å; Q85-I96 HydrophobicContact CB-CB 4.13Å; Q85-I96 HydrophobicContact CB-CG1 4.08Å; Q85-I96 PolarHBondContact N-O 2.79Å; Q85-I96 PolarHBondContact O-N 2.79Å; Q85-S321 PolarHBondContact NE2-O 3.49Å; Q85-V326 HydrophobicContact CB-CG2 4.1Å; Q85-V326 HydrophobicContact CG-CG2 4.32Å
86	V	82.8	Confident	85.2	Confident	44 Å²	44	35 Å²	35	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.2	166.5	-177.9	0	0	0	0	109	I69 L83 I93 F94 M95	I69-V86 HydrophobicContact CD1-CG1 4.36Å; I69-V86 HydrophobicContact CG2-CG2 3.77Å; L83-V86 HydrophobicContact CD1-CG2 4.14Å; L83-V86 HydrophobicContact CD2-CG2 3.85Å; L83-V86 HydrophobicContact CG-CG2 4.31Å; V86-I93 HydrophobicContact CG1-CG2 3.69Å; V86-F94 CarbonylContact C-O 3.5Å; V86-F94 WeakPolarHBondContact CA-O 3.21Å; V86-M95 HydrophobicContact CG2-CG 4.38Å
87	I	82.8	Confident	85.7	Confident	30 Å²	30	29.8 Å²	29.8	15%	0.154	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.9	175.8	-55.3	171.1	0	0	0	107.8	I17 Y20 Q85 F94 I96	I17-I87 HydrophobicContact CD1-CG2 3.86Å; I17-I87 HydrophobicContact CG1-CB 4.36Å; I17-I87 HydrophobicContact CG1-CD1 4.05Å; I17-I87 HydrophobicContact CG1-CG2 3.95Å; Y20-I87 HydrophobicContact CD2-CD1 4.19Å; Y20-I87 HydrophobicContact CE2-CD1 4.31Å; Q85-I87 HydrophobicContact CG-CG1 4.19Å; I87-F94 HydrophobicContact CB-CB 4.19Å; I87-F94 PolarHBondContact N-O 3.12Å; I87-F94 PolarHBondContact O-N 2.81Å; I87-I96 HydrophobicContact CD1-CD1 4.32Å; I87-I96 HydrophobicContact CD1-CG1 4.26Å
88	S	78	Confident	86	Confident	45 Å²	45	30.4 Å²	30.4	32%	0.315	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128	-177.9	159.5	0	0	0	0	110.4	R53	R53-S88 PolarHBondContact NH2-OG 2.75Å
89	T	81.3	Confident	86.1	Confident	34 Å²	34	31.1 Å²	31.1	21%	0.209	17%	0.17	C	C	.	.			trans	-113.1	170.4	169.7	72	0	0	0	0	110.1	I17 R53 T91 D92 F94	I17-T89 HydrophobicContact CD1-CG2 3.91Å; R53-T89 WeakPolarHBondContact CD-O 3.41Å; R53-T89 PolarHBondContact NE-O 3.19Å; T89-T91 PolarHBondContact O-N 3.27Å; T89-T91 PolarHBondContact OG1-N 2.94Å; T89-T91 PolarHBondContact OG1-OG1 2.95Å; T89-D92 PolarHBondContact N-O 3.41Å; T89-D92 PolarHBondContact OG1-N 2.83Å; T89-D92 PolarHBondContact OG1-O 2.79Å; T89-D92 VanDerWaalsContact OG1-O 3.1Å; T89-F94 HydrophobicContact CG2-CD2 4.16Å; T89-F94 HydrophobicContact CG2-CE2 3.62Å
90	P	83.1	Confident	86	Confident	127 Å²	127	31.7 Å²	31.7	83%	0.825	17%	0.174	S	C	*	.	S	Bend	trans	-58.2	-28.1	175.3	-27.6	36.8	0	0	0	114.2	R53	R53-P90 WeakPolarHBondContact CD-O 3.46Å
91	T	82.5	Confident	85.9	Confident	75 Å²	75	34.9 Å²	34.9	46%	0.46	20%	0.197	S	C	.	.	S	Bend	trans	-101.5	-35.4	-174.8	55.6	0	0	0	0	113.4	R53 T89	R53-T91 VanDerWaalsContact CB-O 3.27Å; R53-T91 WeakPolarHBondContact CB-O 3.47Å; R53-T91 WeakPolarHBondContact CG-O 3.35Å; R53-T91 PolarHBondContact N-O 3.43Å; T89-T91 PolarHBondContact O-N 3.27Å; T89-T91 PolarHBondContact OG1-N 2.94Å; T89-T91 PolarHBondContact OG1-OG1 2.95Å
92	D	83.8	Confident	85.8	Confident	33 Å²	33	36.4 Å²	36.4	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.3	-167.6	-55	-77.8	0	0	0	111.9	I50 V51 N52 T89 F94	I50-D92 HydrophobicContact CG2-CB 4.14Å; V51-D92 CarbonylContact O-C 3.59Å; V51-D92 WeakPolarHBondContact O-CA 3.44Å; N52-D92 WeakPolarHBondContact CA-OD1 3.49Å; N52-D92 PolarHBondContact ND2-OD1 3.18Å; N52-D92 VanDerWaalsContact ND2-OD1 3.1Å; T89-D92 PolarHBondContact N-O 3.41Å; T89-D92 PolarHBondContact OG1-N 2.83Å; T89-D92 PolarHBondContact OG1-O 2.79Å; T89-D92 VanDerWaalsContact OG1-O 3.1Å; D92-F94 HydrophobicContact CB-CD2 4.42Å; D92-F94 HydrophobicContact CB-CE2 3.72Å; D92-F94 HydrophobicContact CB-CZ 4.03Å
93	I	82.7	Confident	86	Confident	21 Å²	21	36 Å²	36	11%	0.108	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.4	171.5	-59	173.5	0	0	0	107	V51 R53 I56 L65 I69 V86	V51-I93 PolarHBondContact N-O 3.4Å; V51-I93 PolarHBondContact O-N 3.09Å; R53-I93 HydrophobicContact CG-CD1 4.41Å; R53-I93 HydrophobicContact CG-CG1 4.11Å; I56-I93 HydrophobicContact CD1-CD1 4.01Å; L65-I93 HydrophobicContact CD2-CD1 4.04Å; I69-I93 HydrophobicContact CD1-CG2 4.3Å; V86-I93 HydrophobicContact CG1-CG2 3.69Å
94	F	86.1	Confident	86.4	Confident	24 Å²	24	38.9 Å²	38.9	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.5	-178.7	-60	-102.2	0	0	0	108.7	I17 V48 K49 I50 V86 I87 T89 D92	I17-F94 HydrophobicContact CB-CD1 4.43Å; I17-F94 HydrophobicContact CB-CE1 4.49Å; I17-F94 HydrophobicContact CD1-CD2 4.03Å; I17-F94 HydrophobicContact CD1-CE2 3.94Å; I17-F94 HydrophobicContact CD1-CG 4.43Å; I17-F94 HydrophobicContact CD1-CZ 4.24Å; I17-F94 HydrophobicContact CG1-CB 4.45Å; I17-F94 HydrophobicContact CG1-CD1 4.01Å; I17-F94 HydrophobicContact CG1-CD2 4.01Å; I17-F94 HydrophobicContact CG1-CE1 4.26Å; I17-F94 HydrophobicContact CG1-CE2 4.27Å; I17-F94 HydrophobicContact CG1-CG 3.9Å; I17-F94 HydrophobicContact CG1-CZ 4.39Å; I17-F94 HydrophobicContact CG2-CD1 4.25Å; V48-F94 HydrophobicContact CG1-CB 4.28Å; V48-F94 HydrophobicContact CG1-CD1 3.93Å; K49-F94 WeakPolarHBondContact O-CA 3.25Å; I50-F94 HydrophobicContact CB-CD1 4.43Å; I50-F94 HydrophobicContact CB-CE1 4.43Å; I50-F94 HydrophobicContact CD1-CD1 4.28Å; I50-F94 HydrophobicContact CD1-CE1 3.96Å; I50-F94 HydrophobicContact CG1-CD1 3.77Å; I50-F94 HydrophobicContact CG1-CE1 3.87Å; I50-F94 HydrophobicContact CG2-CD1 4.19Å; I50-F94 HydrophobicContact CG2-CE1 3.83Å; I50-F94 HydrophobicContact CG2-CZ 4.19Å; V86-F94 CarbonylContact C-O 3.5Å; V86-F94 WeakPolarHBondContact CA-O 3.21Å; I87-F94 HydrophobicContact CB-CB 4.19Å; I87-F94 PolarHBondContact N-O 3.12Å; I87-F94 PolarHBondContact O-N 2.81Å; T89-F94 HydrophobicContact CG2-CD2 4.16Å; T89-F94 HydrophobicContact CG2-CE2 3.62Å; D92-F94 HydrophobicContact CB-CD2 4.42Å; D92-F94 HydrophobicContact CB-CE2 3.72Å; D92-F94 HydrophobicContact CB-CZ 4.03Å
95	M	85.7	Confident	87	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.4	174.1	-61.3	167.4	66	0	0	108.2	V48 K49 L65 I69 L72 L83 V86 M97	V48-M95 WeakPolarHBondContact CA-O 3.27Å; K49-M95 HydrophobicContact CB-CB 4.23Å; K49-M95 HydrophobicContact CD-SD 4.19Å; K49-M95 PolarHBondContact N-O 3.23Å; K49-M95 PolarHBondContact O-N 3.26Å; L65-M95 HydrophobicContact CD1-SD 4.45Å; I69-M95 HydrophobicContact CG1-CE 3.99Å; I69-M95 HydrophobicContact CG1-CG 4.42Å; I69-M95 HydrophobicContact CG1-SD 4.05Å; L72-M95 HydrophobicContact CD1-CE 3.74Å; L83-M95 HydrophobicContact CD1-CB 3.78Å; L83-M95 HydrophobicContact CD1-CE 4.24Å; L83-M95 HydrophobicContact CD1-CG 4.42Å; L83-M95 HydrophobicContact CD2-CE 4.48Å; V86-M95 HydrophobicContact CG2-CG 4.38Å; M95-M97 HydrophobicContact CB-CG 4.35Å; M95-M97 HydrophobicContact CB-SD 4.46Å
96	I	89.4	Confident	87.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.9	178.1	-47.6	-56.5	0	0	0	108.3	Y20 V46 V48 Y84 Q85 I87	Y20-I96 HydrophobicContact CD1-CG2 4.33Å; Y20-I96 HydrophobicContact CD2-CD1 4.08Å; Y20-I96 HydrophobicContact CD2-CG1 4.29Å; Y20-I96 HydrophobicContact CE1-CG2 3.7Å; Y20-I96 HydrophobicContact CE2-CD1 4.25Å; Y20-I96 HydrophobicContact CE2-CG1 3.94Å; Y20-I96 HydrophobicContact CE2-CG2 4.19Å; Y20-I96 HydrophobicContact CG-CD1 4.42Å; V46-I96 HydrophobicContact CB-CG2 3.85Å; V46-I96 HydrophobicContact CG1-CG2 4.01Å; V46-I96 HydrophobicContact CG2-CG2 3.86Å; V48-I96 HydrophobicContact CB-CD1 4.37Å; V48-I96 HydrophobicContact CG1-CD1 3.92Å; V48-I96 HydrophobicContact CG2-CD1 3.76Å; Y84-I96 HydrophobicContact CD2-CG2 4.43Å; Y84-I96 PolarHBondContact N-O 3.38Å; Q85-I96 HydrophobicContact CB-CB 4.13Å; Q85-I96 HydrophobicContact CB-CG1 4.08Å; Q85-I96 PolarHBondContact N-O 2.79Å; Q85-I96 PolarHBondContact O-N 2.79Å; I87-I96 HydrophobicContact CD1-CD1 4.32Å; I87-I96 HydrophobicContact CD1-CG1 4.26Å
97	M	90.5	Very high	87.9	Confident	22 Å²	22	43.5 Å²	43.5	11%	0.108	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	165.2	-170.3	-56.7	178.4	-55.2	0	0	111.5	A47 K49 I81 K82 L83 M95 Y99	A47-M97 HydrophobicContact CB-CB 4.41Å; A47-M97 HydrophobicContact CB-CE 4.39Å; A47-M97 PolarHBondContact N-O 3.5Å; A47-M97 PolarHBondContact O-N 2.82Å; K49-M97 HydrophobicContact CB-CE 3.58Å; K49-M97 HydrophobicContact CB-SD 4.37Å; K49-M97 HydrophobicContact CD-CE 4.32Å; I81-M97 HydrophobicContact CG2-CB 3.92Å; K82-M97 CarbonylContact O-C 3.49Å; K82-M97 WeakPolarHBondContact O-CA 3.45Å; K82-M97 WeakPolarHBondContact O-CB 3.29Å; L83-M97 HydrophobicContact CD1-CG 3.83Å; M95-M97 HydrophobicContact CB-CG 4.35Å; M95-M97 HydrophobicContact CB-SD 4.46Å; M97-Y99 PolarHBondContact O-N 3.03Å
98	E	90.8	Very high	88.5	Confident	26 Å²	26	44.5 Å²	44.5	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	128.7	170	-173.3	178.1	-170.6	0	0	110.9	I81 K82 Y84 V100 K158	I81-E98 HydrophobicContact CD1-CB 4.28Å; I81-E98 HydrophobicContact CG2-CB 4.24Å; K82-E98 HydrophobicContact CB-CB 4.29Å; K82-E98 PolarHBondContact O-N 3.39Å; Y84-E98 HydrophobicContact CE2-CB 4.28Å; E98-V100 HydrophobicContact CG-CG1 4.31Å; E98-K158 WeakPolarHBondContact OE1-CE 3.33Å; E98-K158 IonicContact OE1-NZ 2.66Å; E98-K158 PolarHBondContact OE1-NZ 2.87Å; E98-K158 IonicContact OE2-NZ 2.62Å; E98-K158 PolarHBondContact OE2-NZ 2.77Å
99	Y	92.9	Very high	89.3	Confident	68 Å²	68	43 Å²	43	27%	0.267	25%	0.248	S	C	.	.			trans	-90.6	135	170.2	176	-110.1	0	0	0	109.9	L26 V36 Q45 M97	L26-Y99 HydrophobicContact CD1-CD2 3.79Å; L26-Y99 HydrophobicContact CD1-CE2 3.73Å; L26-Y99 HydrophobicContact CD2-CE2 3.9Å; L26-Y99 HydrophobicContact CG-CE2 4.49Å; V36-Y99 HydrophobicContact CG2-CE2 4.49Å; Q45-Y99 HydrophobicContact CB-CD1 3.73Å; Q45-Y99 HydrophobicContact CB-CE1 4.38Å; Q45-Y99 HydrophobicContact CB-CG 4.21Å; M97-Y99 PolarHBondContact O-N 3.03Å
100	V	91	Very high	89.8	Confident	16 Å²	16	46.2 Å²	46.2	10%	0.097	27%	0.267	C	S	.	.			trans	-128.4	122.8	-179.9	-72.4	0	0	0	0	108.6	I81 E98 L150 K158	I81-V100 HydrophobicContact CD1-CB 4.47Å; I81-V100 HydrophobicContact CD1-CG1 3.68Å; I81-V100 HydrophobicContact CD1-CG2 3.86Å; E98-V100 HydrophobicContact CG-CG1 4.31Å; V100-L150 HydrophobicContact CB-CB 4.4Å; V100-L150 HydrophobicContact CG2-CB 3.46Å; V100-L150 VanDerWaalsContact CG2-CB 3.46Å; V100-L150 HydrophobicContact CG2-CD1 3.33Å; V100-L150 HydrophobicContact CG2-CG 3.99Å; V100-K158 HydrophobicContact CG1-CB 4.16Å; V100-K158 HydrophobicContact CG1-CD 4.41Å; V100-K158 HydrophobicContact CG1-CG 3.79Å
101	S	90.8	Very high	90.3	Very high	69 Å²	69	49 Å²	49	48%	0.483	27%	0.266	S	S	.	.	S	Bend	trans	-90.9	-12.2	-166.3	60.8	0	0	0	0	114.6	G103	S101-G103 VanDerWaalsContact C-N 3.29Å; S101-G103 PolarHBondContact O-N 2.94Å
102	G	89.1	Confident	90.7	Very high	42 Å²	42	48 Å²	48	43%	0.433	26%	0.262	S	S	.	.	S	Bend	trans	-81	-3.5	-173.5	0	0	0	0	0	114.8	L151	G102-L151 WeakPolarHBondContact CA-O 3.41Å; G102-L151 PolarHBondContact N-O 2.87Å
103	G	91.9	Very high	91.1	Very high	33 Å²	33	48 Å²	48	34%	0.34	27%	0.269	S	S	.	.			trans	75.6	-160.2	-179.5	0	0	0	0	0	112.9	S101 L150 L151	S101-G103 VanDerWaalsContact C-N 3.29Å; S101-G103 PolarHBondContact O-N 2.94Å; G103-L150 CarbonylContact O-C 3.59Å; G103-L150 VanDerWaalsContact O-CA 3.31Å; G103-L150 WeakPolarHBondContact O-CA 3.29Å; G103-L151 PolarHBondContact O-N 3.49Å
104	E	93.2	Very high	91.5	Very high	73 Å²	73	56.6 Å²	56.6	34%	0.341	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-84.8	145.8	-177.6	-61.1	176.9	-168.1	0	0	111.4	F106 D107 Y108 L150	E104-F106 HydrophobicContact CB-CB 4.36Å; E104-F106 PolarHBondContact O-N 3.5Å; E104-D107 PolarHBondContact O-N 2.99Å; E104-Y108 PolarHBondContact O-N 3.18Å; E104-L150 HydrophobicContact CB-CD2 4.48Å; E104-L150 HydrophobicContact CG-CD2 3.81Å
105	L	95.2	Very high	91.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-28.4	172.8	-178.8	63.1	0	0	0	111	Y108 I109 F123 I127 P146 L149 L151 L211	L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.38Å; L105-Y108 PolarHBondContact O-N 3.23Å; L105-I109 HydrophobicContact CG-CD1 4.19Å; L105-I109 HydrophobicContact CG-CG1 4.49Å; L105-I109 WeakPolarHBondContact O-CG1 3.06Å; L105-I109 PolarHBondContact O-N 3.12Å; L105-F123 HydrophobicContact CD1-CD1 4.24Å; L105-F123 HydrophobicContact CD1-CE1 4.4Å; L105-I127 HydrophobicContact CD2-CD1 4.23Å; L105-P146 HydrophobicContact CB-CB 4.4Å; L105-P146 PolarHBondContact N-O 3.4Å; L105-L149 HydrophobicContact CB-CB 3.9Å; L105-L149 VanDerWaalsContact CB-O 3.27Å; L105-L149 WeakPolarHBondContact CB-O 3.49Å; L105-L149 HydrophobicContact CD2-CB 4Å; L105-L149 HydrophobicContact CD2-CD1 3.68Å; L105-L149 PolarHBondContact N-O 3.07Å; L105-L151 HydrophobicContact CD1-CD1 4.18Å; L105-L151 HydrophobicContact CD1-CD2 4.24Å; L105-L151 HydrophobicContact CD1-CG 4.49Å; L105-L211 HydrophobicContact CD1-CD2 4.06Å; L105-L211 HydrophobicContact CD2-CD2 4.28Å; L105-L211 HydrophobicContact CG-CD2 4.37Å
106	F	92.6	Very high	92.4	Very high	82 Å²	82	59.1 Å²	59.1	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-54.9	-53.6	173.2	-175.1	-95.7	0	0	0	111.9	E104 Y108 I109 V110 P146 E147	E104-F106 HydrophobicContact CB-CB 4.36Å; E104-F106 PolarHBondContact O-N 3.5Å; F106-Y108 PolarHBondContact O-N 2.96Å; F106-I109 PolarHBondContact O-N 3.46Å; F106-I109 VanDerWaalsContact O-N 3.1Å; F106-V110 HydrophobicContact CD1-CG2 4.1Å; F106-V110 HydrophobicContact CE1-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.96Å; F106-V110 WeakPolarHBondContact O-CG2 3.36Å; F106-V110 PolarHBondContact O-N 3.21Å; F106-P146 HydrophobicContact CB-CB 3.84Å; F106-P146 HydrophobicContact CD2-CB 4.29Å; F106-P146 PolarHBondContact N-O 3.09Å; F106-E147 HydrophobicContact CB-CG 4.12Å; F106-E147 HydrophobicContact CD2-CG 4.38Å; F106-E147 HydrophobicContact CG-CG 4.23Å
107	D	93.1	Very high	92.8	Very high	93 Å²	93	61.3 Å²	61.3	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-36.2	179.5	-68.2	-32	0	0	0	111.7	E104 V110 K111	E104-D107 PolarHBondContact O-N 2.99Å; D107-V110 PolarHBondContact O-N 3.17Å; D107-K111 VanDerWaalsContact O-CB 3.28Å; D107-K111 WeakPolarHBondContact O-CB 3.44Å; D107-K111 PolarHBondContact O-N 2.65Å
108	Y	94.8	Very high	93.1	Very high	52 Å²	52	67 Å²	67	20%	0.204	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.5	174.9	-175	-87.6	0	0	0	112.3	E104 L105 F106 K111 S112 L115 F123 L151 Q155	E104-Y108 PolarHBondContact O-N 3.18Å; L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.38Å; L105-Y108 PolarHBondContact O-N 3.23Å; F106-Y108 PolarHBondContact O-N 2.96Å; Y108-K111 PolarHBondContact O-N 3Å; Y108-S112 WeakPolarHBondContact O-CB 3.27Å; Y108-S112 PolarHBondContact O-N 2.92Å; Y108-S112 PolarHBondContact O-OG 2.8Å; Y108-L115 HydrophobicContact CD1-CD1 4.47Å; Y108-L115 HydrophobicContact CE1-CD1 3.94Å; Y108-L115 HydrophobicContact CE1-CD2 3.73Å; Y108-L115 HydrophobicContact CE1-CG 4.47Å; Y108-F123 HydrophobicContact CD1-CE2 4.44Å; Y108-F123 HydrophobicContact CD1-CZ 4.36Å; Y108-F123 AromaticContact CE1-CE2 3.69Å; Y108-F123 HydrophobicContact CE1-CE2 3.69Å; Y108-F123 AromaticContact CE1-CZ 3.79Å; Y108-F123 HydrophobicContact CE1-CZ 3.79Å; Y108-F123 HydrophobicContact CE2-CZ 4.46Å; Y108-F123 AromaticContact CZ-CZ 3.84Å; Y108-L151 HydrophobicContact CD2-CD1 3.87Å; Y108-L151 HydrophobicContact CG-CD1 3.86Å; Y108-Q155 PolarHBondContact OH-OE1 3.4Å
109	I	94.1	Very high	93.3	Very high	14 Å²	14	69.3 Å²	69.3	7%	0.072	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-47	175.9	-66.7	165.8	0	0	0	110.2	L105 F106 K111 S112 G113 P146 A210 L211	L105-I109 HydrophobicContact CG-CD1 4.19Å; L105-I109 HydrophobicContact CG-CG1 4.49Å; L105-I109 WeakPolarHBondContact O-CG1 3.06Å; L105-I109 PolarHBondContact O-N 3.12Å; F106-I109 PolarHBondContact O-N 3.46Å; F106-I109 VanDerWaalsContact O-N 3.1Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.27Å; I109-S112 PolarHBondContact O-N 3.43Å; I109-G113 WeakPolarHBondContact O-CA 3.06Å; I109-G113 PolarHBondContact O-N 2.84Å; I109-P146 HydrophobicContact CD1-CB 4.2Å; I109-P146 HydrophobicContact CD1-CG 4.19Å; I109-A210 HydrophobicContact CD1-CB 4.43Å; I109-L211 HydrophobicContact CD1-CD2 3.79Å; I109-L211 HydrophobicContact CD1-CG 4.26Å; I109-L211 HydrophobicContact CG1-CD2 3.8Å
110	V	93.1	Very high	93.6	Very high	100 Å²	100	66 Å²	66	61%	0.606	35%	0.354	S	S	*	.	H	α-helix	trans	-59.7	-42.7	179.2	172.7	0	0	0	0	111.3	F106 D107	F106-V110 HydrophobicContact CD1-CG2 4.1Å; F106-V110 HydrophobicContact CE1-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.96Å; F106-V110 WeakPolarHBondContact O-CG2 3.36Å; F106-V110 PolarHBondContact O-N 3.21Å; D107-V110 PolarHBondContact O-N 3.17Å
111	K	93.5	Very high	93.9	Very high	187 Å²	187	66.4 Å²	66.4	81%	0.813	35%	0.354	S	S	*	.	H	α-helix	trans	-72.2	-39.3	-179.8	-175.2	179.1	179	-178.6	0	113.2	D107 Y108 I109	D107-K111 VanDerWaalsContact O-CB 3.28Å; D107-K111 WeakPolarHBondContact O-CB 3.44Å; D107-K111 PolarHBondContact O-N 2.65Å; Y108-K111 PolarHBondContact O-N 3Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.27Å
112	S	91.4	Very high	94.2	Very high	54 Å²	54	67.4 Å²	67.4	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-88	-21.1	-174.3	-51.2	0	0	0	0	112.8	Y108 I109	Y108-S112 WeakPolarHBondContact O-CB 3.27Å; Y108-S112 PolarHBondContact O-N 2.92Å; Y108-S112 PolarHBondContact O-OG 2.8Å; I109-S112 PolarHBondContact O-N 3.43Å
113	G	91.4	Very high	94.6	Very high	31 Å²	31	65.6 Å²	65.6	32%	0.32	33%	0.329	S	S	.	.			trans	71	-132.5	-168.7	0	0	0	0	0	111.2	I109	I109-G113 WeakPolarHBondContact O-CA 3.06Å; I109-G113 PolarHBondContact O-N 2.84Å
114	R	91.2	Very high	94.9	Very high	203 Å²	203	64 Å²	64	77%	0.766	31%	0.313	S	S	*	.	S	Bend	trans	-78.5	135.6	174.8	62.3	-179.7	-177.3	-122.9	-0.9	111.1	L212	R114-L212 WeakPolarHBondContact CB-O 3.4Å
115	L	95	Very high	95.2	Very high	20 Å²	20	60.8 Å²	60.8	11%	0.105	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-89.1	157.2	174.6	-57.3	-178.5	0	0	0	111.6	Y108 D119 A120 F123 L211	Y108-L115 HydrophobicContact CD1-CD1 4.47Å; Y108-L115 HydrophobicContact CE1-CD1 3.94Å; Y108-L115 HydrophobicContact CE1-CD2 3.73Å; Y108-L115 HydrophobicContact CE1-CG 4.47Å; L115-D119 HydrophobicContact CB-CB 4.48Å; L115-A120 HydrophobicContact CB-CB 4.25Å; L115-F123 HydrophobicContact CD1-CD2 3.9Å; L115-F123 HydrophobicContact CD1-CE2 3.96Å; L115-L211 WeakPolarHBondContact CB-O 3.18Å; L115-L211 HydrophobicContact CD1-CB 4.36Å; L115-L211 HydrophobicContact CD1-CD2 3.63Å; L115-L211 PolarHBondContact N-O 3.2Å
116	S	96	Very high	95.3	Very high	57 Å²	57	61.3 Å²	61.3	40%	0.399	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-64.5	152.4	167.6	81.5	0	0	0	0	109.9	K118 D119 A120	S116-K118 PolarHBondContact O-N 3.26Å; S116-K118 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact O-N 2.89Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 3.49Å; S116-D119 VanDerWaalsContact OG-N 3.16Å; S116-D119 PolarHBondContact OG-OD2 2.89Å; S116-A120 WeakPolarHBondContact O-CB 2.97Å; S116-A120 PolarHBondContact O-N 2.77Å
117	E	96.8	Very high	95.6	Very high	46 Å²	46	57.4 Å²	57.4	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-31.5	176.4	-73.6	-167.6	-151.2	0	0	112.5	R121 L212 S242 W271	E117-R121 WeakPolarHBondContact O-CB 3.35Å; E117-R121 PolarHBondContact O-N 2.8Å; E117-L212 HydrophobicContact CB-CD2 4.5Å; E117-L212 HydrophobicContact CG-CD2 3.94Å; E117-S242 VanDerWaalsContact CD-OG 3.31Å; E117-S242 VanDerWaalsContact OE1-CB 3.24Å; E117-S242 WeakPolarHBondContact OE1-CB 3.28Å; E117-S242 PolarHBondContact OE1-N 3.02Å; E117-S242 PolarHBondContact OE1-OG 3.26Å; E117-S242 WeakPolarHBondContact OE2-CB 3.24Å; E117-S242 PolarHBondContact OE2-OG 2.68Å; E117-W271 HydrophobicContact CB-CZ2 4.27Å; E117-W271 PolarHBondContact OE2-NE1 2.67Å
118	K	96.9	Very high	95.8	Very high	140 Å²	140	53 Å²	53	61%	0.609	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-47.6	177.3	-175.1	-176.8	179.3	-177.4	0	111.4	S116 R121 K122	S116-K118 PolarHBondContact O-N 3.26Å; S116-K118 VanDerWaalsContact O-N 3.15Å; K118-R121 PolarHBondContact O-N 3.19Å; K118-K122 PolarHBondContact O-N 3.37Å
119	D	96.2	Very high	95.9	Very high	75 Å²	75	50.6 Å²	50.6	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-72.5	-43.2	-178	-56.5	-40.9	0	0	0	111	L115 S116 R121 K122 F123	L115-D119 HydrophobicContact CB-CB 4.48Å; S116-D119 PolarHBondContact O-N 2.89Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 3.49Å; S116-D119 VanDerWaalsContact OG-N 3.16Å; S116-D119 PolarHBondContact OG-OD2 2.89Å; D119-R121 VanDerWaalsContact C-N 3.26Å; D119-R121 PolarHBondContact O-N 3.16Å; D119-K122 WeakPolarHBondContact O-CB 3.22Å; D119-K122 PolarHBondContact O-N 3.19Å; D119-K122 VanDerWaalsContact O-N 3.13Å; D119-F123 VanDerWaalsContact O-CD2 3.25Å; D119-F123 WeakPolarHBondContact O-CD2 3.47Å; D119-F123 PolarHBondContact O-N 2.81Å
120	A	97.7	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-40.7	173.8	0	0	0	0	0	111.5	L115 S116 F123 F124 L211 L212	L115-A120 HydrophobicContact CB-CB 4.25Å; S116-A120 WeakPolarHBondContact O-CB 2.97Å; S116-A120 PolarHBondContact O-N 2.77Å; A120-F123 PolarHBondContact O-N 2.86Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 2.88Å; A120-L211 HydrophobicContact CB-CB 4.05Å; A120-L212 HydrophobicContact CB-CD2 3.57Å; A120-L212 HydrophobicContact CB-CG 4.08Å
121	R	98.2	Very high	96	Very high	24 Å²	24	45.2 Å²	45.2	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.3	-173.8	-174.9	-57	110	7.8	112	E117 K118 D119 F124 Q125 W271 V274	E117-R121 WeakPolarHBondContact O-CB 3.35Å; E117-R121 PolarHBondContact O-N 2.8Å; K118-R121 PolarHBondContact O-N 3.19Å; D119-R121 VanDerWaalsContact C-N 3.26Å; D119-R121 PolarHBondContact O-N 3.16Å; R121-F124 PolarHBondContact O-N 3.12Å; R121-Q125 HydrophobicContact CG-CG 4.08Å; R121-Q125 WeakPolarHBondContact O-CB 3.34Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.36Å; R121-Q125 PolarHBondContact O-N 2.88Å; R121-W271 HydrophobicContact CB-CH2 3.56Å; R121-W271 HydrophobicContact CB-CZ2 3.9Å; R121-W271 HydrophobicContact CB-CZ3 4.04Å; R121-W271 WeakPolarHBondContact CD-O 3.24Å; R121-W271 HydrophobicContact CG-CE3 4.4Å; R121-W271 HydrophobicContact CG-CH2 4.01Å; R121-W271 HydrophobicContact CG-CZ2 4.48Å; R121-W271 HydrophobicContact CG-CZ3 3.96Å; R121-W271 PolarHBondContact NE-O 2.83Å; R121-V274 WeakPolarHBondContact CD-O 3.36Å
122	K	97.2	Very high	96	Very high	89 Å²	89	37.3 Å²	37.3	39%	0.387	19%	0.188	S	C	.	.	H	α-helix	trans	-57.2	-52	178.1	-176.5	-168.6	172.7	-162.4	0	111.2	K118 D119 F124 Q125 Q126	K118-K122 PolarHBondContact O-N 3.37Å; D119-K122 WeakPolarHBondContact O-CB 3.22Å; D119-K122 PolarHBondContact O-N 3.19Å; D119-K122 VanDerWaalsContact O-N 3.13Å; K122-F124 VanDerWaalsContact C-N 3.33Å; K122-F124 PolarHBondContact O-N 2.69Å; K122-Q125 PolarHBondContact O-N 2.95Å; K122-Q126 WeakPolarHBondContact O-CG 3.29Å; K122-Q126 PolarHBondContact O-N 3.23Å
123	F	97.8	Very high	95.9	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-45.3	176.7	-71.1	-67.2	0	0	0	111.4	L105 Y108 L115 D119 A120 Q125 Q126 I127 L151 Q155 V157 L211	L105-F123 HydrophobicContact CD1-CD1 4.24Å; L105-F123 HydrophobicContact CD1-CE1 4.4Å; Y108-F123 HydrophobicContact CD1-CE2 4.44Å; Y108-F123 HydrophobicContact CD1-CZ 4.36Å; Y108-F123 AromaticContact CE1-CE2 3.69Å; Y108-F123 HydrophobicContact CE1-CE2 3.69Å; Y108-F123 AromaticContact CE1-CZ 3.79Å; Y108-F123 HydrophobicContact CE1-CZ 3.79Å; Y108-F123 HydrophobicContact CE2-CZ 4.46Å; Y108-F123 AromaticContact CZ-CZ 3.84Å; L115-F123 HydrophobicContact CD1-CD2 3.9Å; L115-F123 HydrophobicContact CD1-CE2 3.96Å; D119-F123 VanDerWaalsContact O-CD2 3.25Å; D119-F123 WeakPolarHBondContact O-CD2 3.47Å; D119-F123 PolarHBondContact O-N 2.81Å; A120-F123 PolarHBondContact O-N 2.86Å; F123-Q125 PolarHBondContact O-N 2.66Å; F123-Q126 PolarHBondContact O-N 3.15Å; F123-I127 WeakPolarHBondContact O-CG1 3.34Å; F123-I127 PolarHBondContact O-N 3.21Å; F123-L151 HydrophobicContact CD1-CD2 4.05Å; F123-L151 HydrophobicContact CE1-CD1 4.27Å; F123-L151 HydrophobicContact CE1-CD2 3.61Å; F123-Q155 HydrophobicContact CE1-CB 4.28Å; F123-Q155 WeakPolarHBondContact CE1-O 3.47Å; F123-Q155 HydrophobicContact CZ-CB 4.28Å; F123-V157 HydrophobicContact CB-CG2 4.21Å; F123-V157 HydrophobicContact CD1-CG2 3.61Å; F123-V157 HydrophobicContact CG-CG2 4.41Å; F123-L211 HydrophobicContact CB-CD1 4.21Å
124	F	98.5	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-39.1	-177.2	-172.8	-107.1	0	0	0	113.4	A120 R121 K122 Q126 I127 I128 C204 L208 L248 M252 I266 W271 F272	A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 2.88Å; R121-F124 PolarHBondContact O-N 3.12Å; K122-F124 VanDerWaalsContact C-N 3.33Å; K122-F124 PolarHBondContact O-N 2.69Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; F124-Q126 PolarHBondContact O-N 3.26Å; F124-I127 PolarHBondContact O-N 3.25Å; F124-I128 HydrophobicContact CD1-CG1 4.07Å; F124-I128 HydrophobicContact CD2-CG1 4.39Å; F124-I128 HydrophobicContact CE1-CD1 4.15Å; F124-I128 HydrophobicContact CE1-CG1 3.61Å; F124-I128 HydrophobicContact CE2-CD1 3.92Å; F124-I128 HydrophobicContact CE2-CG1 3.95Å; F124-I128 HydrophobicContact CG-CG1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.57Å; F124-I128 HydrophobicContact CZ-CG1 3.53Å; F124-I128 WeakPolarHBondContact O-CG1 3.33Å; F124-I128 PolarHBondContact O-N 3.48Å; F124-C204 HydrophobicContact CE2-CB 4.14Å; F124-C204 WeakPolarHBondContact CE2-O 3.34Å; F124-L208 HydrophobicContact CB-CD1 4.02Å; F124-L208 HydrophobicContact CD1-CD1 4.37Å; F124-L208 HydrophobicContact CD1-CD2 4.2Å; F124-L208 HydrophobicContact CD2-CB 3.74Å; F124-L208 HydrophobicContact CD2-CD1 4Å; F124-L208 HydrophobicContact CD2-CD2 4.27Å; F124-L208 HydrophobicContact CD2-CG 4.2Å; F124-L208 HydrophobicContact CE1-CD2 4.03Å; F124-L208 HydrophobicContact CE2-CB 3.74Å; F124-L208 HydrophobicContact CE2-CD2 4.11Å; F124-L208 HydrophobicContact CE2-CG 4.36Å; F124-L208 HydrophobicContact CG-CB 4.44Å; F124-L208 HydrophobicContact CG-CD1 3.86Å; F124-L208 HydrophobicContact CG-CD2 4.31Å; F124-L208 HydrophobicContact CG-CG 4.42Å; F124-L208 HydrophobicContact CZ-CB 4.43Å; F124-L208 HydrophobicContact CZ-CD2 3.99Å; F124-L248 HydrophobicContact CE1-CD2 4.2Å; F124-M252 HydrophobicContact CE1-SD 4.37Å; F124-M252 HydrophobicContact CE2-CE 3.89Å; F124-M252 HydrophobicContact CE2-SD 4.39Å; F124-M252 HydrophobicContact CZ-CE 3.46Å; F124-M252 VanDerWaalsContact CZ-CE 3.46Å; F124-M252 HydrophobicContact CZ-SD 3.6Å; F124-M252 VanDerWaalsContact CZ-SD 3.6Å; F124-I266 HydrophobicContact CE1-CG2 4.01Å; F124-I266 HydrophobicContact CZ-CG2 4.4Å; F124-W271 HydrophobicContact CD1-CZ3 4.07Å; F124-F272 AromaticContact CD1-CD2 3.77Å; F124-F272 HydrophobicContact CD1-CD2 3.77Å; F124-F272 AromaticContact CD1-CE2 3.85Å; F124-F272 HydrophobicContact CD1-CE2 3.85Å; F124-F272 AromaticContact CE1-CD2 3.78Å; F124-F272 HydrophobicContact CE1-CD2 3.78Å; F124-F272 AromaticContact CE1-CE2 3.96Å; F124-F272 HydrophobicContact CE1-CE2 3.96Å
125	Q	98.4	Very high	95.7	Very high	6 Å²	6	26 Å²	26	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-42	174.5	-74.7	169.7	-16.5	0	0	111.7	R121 K122 F123 S129 F272 V274 L276 L280	R121-Q125 HydrophobicContact CG-CG 4.08Å; R121-Q125 WeakPolarHBondContact O-CB 3.34Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.36Å; R121-Q125 PolarHBondContact O-N 2.88Å; K122-Q125 PolarHBondContact O-N 2.95Å; F123-Q125 PolarHBondContact O-N 2.66Å; Q125-S129 VanDerWaalsContact O-CB 3.28Å; Q125-S129 WeakPolarHBondContact O-CB 3.38Å; Q125-S129 PolarHBondContact O-N 2.65Å; Q125-F272 HydrophobicContact CB-CE2 4.23Å; Q125-F272 HydrophobicContact CB-CZ 4.12Å; Q125-F272 HydrophobicContact CG-CD2 4.19Å; Q125-F272 HydrophobicContact CG-CE1 4.28Å; Q125-F272 HydrophobicContact CG-CE2 3.79Å; Q125-F272 HydrophobicContact CG-CZ 3.83Å; Q125-F272 PolarHBondContact NE2-O 3.38Å; Q125-V274 PolarHBondContact NE2-O 3.37Å; Q125-L276 HydrophobicContact CB-CD1 4.08Å; Q125-L276 HydrophobicContact CG-CD1 3.75Å; Q125-L280 HydrophobicContact CB-CD1 3.69Å
126	Q	97.5	Very high	95.2	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-39.7	177	-65.2	-178.8	-10.3	0	0	112.4	H79 K122 F123 F124 S129 G130 N156 V157 L280	H79-Q126 WeakPolarHBondContact CB-O 2.99Å; H79-Q126 VanDerWaalsContact CE1-CG 3.41Å; H79-Q126 WeakPolarHBondContact CE1-CG 3.42Å; K122-Q126 WeakPolarHBondContact O-CG 3.29Å; K122-Q126 PolarHBondContact O-N 3.23Å; F123-Q126 PolarHBondContact O-N 3.15Å; F124-Q126 VanDerWaalsContact C-N 3.31Å; F124-Q126 PolarHBondContact O-N 3.26Å; Q126-S129 WeakPolarHBondContact O-CB 3.17Å; Q126-S129 PolarHBondContact O-N 2.96Å; Q126-G130 PolarHBondContact O-N 3.18Å; Q126-G130 VanDerWaalsContact O-N 3.08Å; Q126-N156 PolarHBondContact NE2-OD1 2.97Å; Q126-N156 VanDerWaalsContact OE1-CA 3.24Å; Q126-V157 HydrophobicContact CB-CB 4.07Å; Q126-V157 HydrophobicContact CB-CG2 4.19Å; Q126-L280 HydrophobicContact CG-CD1 4.46Å; Q126-L280 HydrophobicContact CG-CD2 4.24Å
127	I	98.2	Very high	94.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-52.4	174	-67.3	161.4	0	0	0	110.3	L105 F123 F124 S129 G130 V131 L149 V157 I207	L105-I127 HydrophobicContact CD2-CD1 4.23Å; F123-I127 WeakPolarHBondContact O-CG1 3.34Å; F123-I127 PolarHBondContact O-N 3.21Å; F124-I127 PolarHBondContact O-N 3.25Å; I127-S129 VanDerWaalsContact C-N 3.26Å; I127-S129 PolarHBondContact O-N 3.43Å; I127-G130 PolarHBondContact O-N 3.43Å; I127-V131 HydrophobicContact CG2-CG2 4.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.44Å; I127-V131 PolarHBondContact O-N 3.15Å; I127-L149 HydrophobicContact CD1-CD1 3.64Å; I127-L149 HydrophobicContact CG1-CD1 3.94Å; I127-L149 HydrophobicContact CG1-CD2 4.39Å; I127-V157 HydrophobicContact CG1-CB 4.35Å; I127-V157 HydrophobicContact CG1-CG1 3.77Å; I127-V157 HydrophobicContact CG1-CG2 4.16Å; I127-I207 HydrophobicContact CD1-CG2 3.94Å
128	I	98.3	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-35.4	-179	-64.1	-61.1	0	0	0	111.2	F124 V131 A132 C204 I263 I266 F272 F281	F124-I128 HydrophobicContact CD1-CG1 4.07Å; F124-I128 HydrophobicContact CD2-CG1 4.39Å; F124-I128 HydrophobicContact CE1-CD1 4.15Å; F124-I128 HydrophobicContact CE1-CG1 3.61Å; F124-I128 HydrophobicContact CE2-CD1 3.92Å; F124-I128 HydrophobicContact CE2-CG1 3.95Å; F124-I128 HydrophobicContact CG-CG1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.57Å; F124-I128 HydrophobicContact CZ-CG1 3.53Å; F124-I128 WeakPolarHBondContact O-CG1 3.33Å; F124-I128 PolarHBondContact O-N 3.48Å; I128-V131 PolarHBondContact O-N 3.4Å; I128-A132 WeakPolarHBondContact O-CB 3.44Å; I128-A132 PolarHBondContact O-N 2.65Å; I128-C204 HydrophobicContact CD1-CB 4.01Å; I128-I263 HydrophobicContact CD1-CD1 4.01Å; I128-I263 HydrophobicContact CG2-CD1 4.18Å; I128-I263 HydrophobicContact CG2-CG2 4.1Å; I128-I266 HydrophobicContact CD1-CD1 4.38Å; I128-I266 HydrophobicContact CD1-CG2 4.44Å; I128-I266 HydrophobicContact CG1-CG2 4.27Å; I128-I266 HydrophobicContact CG2-CG2 4.35Å; I128-F272 HydrophobicContact CB-CE2 3.8Å; I128-F272 HydrophobicContact CB-CZ 3.91Å; I128-F272 HydrophobicContact CG1-CE2 3.83Å; I128-F272 HydrophobicContact CG1-CZ 4.44Å; I128-F272 HydrophobicContact CG2-CE2 4.07Å; I128-F272 HydrophobicContact CG2-CZ 3.9Å; I128-F281 HydrophobicContact CB-CZ 4.36Å; I128-F281 HydrophobicContact CG2-CE1 4.3Å; I128-F281 HydrophobicContact CG2-CZ 3.87Å
129	S	95.7	Very high	92.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-58	-52.1	172.7	171.7	0	0	0	0	112.1	H77 Q125 Q126 I127 V131 A132 Y133 L280	H77-S129 PolarHBondContact CE1-OG 2.78Å; H77-S129 PolarHBondContact NE2-OG 3.15Å; H77-S129 VanDerWaalsContact NE2-OG 3.1Å; Q125-S129 VanDerWaalsContact O-CB 3.28Å; Q125-S129 WeakPolarHBondContact O-CB 3.38Å; Q125-S129 PolarHBondContact O-N 2.65Å; Q126-S129 WeakPolarHBondContact O-CB 3.17Å; Q126-S129 PolarHBondContact O-N 2.96Å; I127-S129 VanDerWaalsContact C-N 3.26Å; I127-S129 PolarHBondContact O-N 3.43Å; S129-V131 PolarHBondContact O-N 3.08Å; S129-A132 PolarHBondContact O-N 3.33Å; S129-Y133 PolarHBondContact O-N 2.86Å; S129-Y133 VanDerWaalsContact O-N 3.09Å; S129-L280 WeakPolarHBondContact CB-O 3.46Å; S129-L280 PolarHBondContact OG-O 3.17Å
130	G	93.6	Very high	92.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.7	0	0	0	0	0	113.4	H77 Q126 I127 Y133 C134	H77-G130 VanDerWaalsContact CE1-CA 3.48Å; H77-G130 WeakPolarHBondContact CE1-CA 3.14Å; H77-G130 PolarHBondContact CE1-N 3.16Å; Q126-G130 PolarHBondContact O-N 3.18Å; Q126-G130 VanDerWaalsContact O-N 3.08Å; I127-G130 PolarHBondContact O-N 3.43Å; G130-Y133 WeakPolarHBondContact O-CB 3.24Å; G130-Y133 PolarHBondContact O-N 3.11Å; G130-C134 PolarHBondContact O-N 3.2Å; G130-C134 PolarHBondContact O-SG 3.24Å
131	V	95.5	Very high	91.8	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-41.3	178.5	175	0	0	0	0	111.5	I127 I128 S129 Y133 C134 H135 L144 I159 D200 I263	I127-V131 HydrophobicContact CG2-CG2 4.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.44Å; I127-V131 PolarHBondContact O-N 3.15Å; I128-V131 PolarHBondContact O-N 3.4Å; S129-V131 PolarHBondContact O-N 3.08Å; V131-Y133 VanDerWaalsContact C-N 3.29Å; V131-Y133 PolarHBondContact O-N 3.29Å; V131-C134 WeakPolarHBondContact O-CB 3.41Å; V131-C134 PolarHBondContact O-N 2.8Å; V131-H135 VanDerWaalsContact CG1-CE1 3.45Å; V131-H135 WeakPolarHBondContact CG1-CE1 3.34Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.39Å; V131-H135 PolarHBondContact O-CD2 2.97Å; V131-H135 PolarHBondContact O-N 3.13Å; V131-L144 HydrophobicContact CG1-CD1 4.43Å; V131-L144 HydrophobicContact CG2-CD1 3.62Å; V131-L144 HydrophobicContact CG2-CD2 4.22Å; V131-I159 HydrophobicContact CG2-CD1 3.92Å; V131-D200 HydrophobicContact CG1-CB 4.15Å; V131-I263 HydrophobicContact CG1-CD1 4Å
132	A	93.5	Very high	91.3	Very high	20 Å²	20	22.8 Å²	22.8	17%	0.165	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-43.3	174.8	0	0	0	0	0	111.5	I128 S129 H135 R136 I263 F281	I128-A132 WeakPolarHBondContact O-CB 3.44Å; I128-A132 PolarHBondContact O-N 2.65Å; S129-A132 PolarHBondContact O-N 3.33Å; A132-H135 PolarHBondContact O-N 3.34Å; A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.07Å; A132-I263 HydrophobicContact CB-CG2 3.67Å; A132-F281 HydrophobicContact CB-CD1 4.43Å; A132-F281 HydrophobicContact CB-CE1 3.89Å
133	Y	90.4	Very high	90.9	Very high	23 Å²	23	19 Å²	19	9%	0.09	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-44.7	177.2	-175.7	-89	0	0	0	111.9	F75 R76 H77 I80 S129 G130 V131 H135 R136 H137	F75-Y133 HydrophobicContact CB-CE1 4.16Å; F75-Y133 HydrophobicContact CD1-CD1 4.45Å; F75-Y133 AromaticContact CD1-CE1 3.8Å; F75-Y133 HydrophobicContact CD1-CE1 3.8Å; F75-Y133 HydrophobicContact CE1-CE1 4.43Å; F75-Y133 HydrophobicContact CG-CE1 4.08Å; R76-Y133 PolarHBondContact N-OH 3.4Å; R76-Y133 VanDerWaalsContact N-OH 3.13Å; R76-Y133 PolarHBondContact O-OH 3.33Å; H77-Y133 HydrophobicContact CB-CD1 3.84Å; H77-Y133 HydrophobicContact CB-CD2 4.24Å; H77-Y133 HydrophobicContact CB-CE1 4Å; H77-Y133 HydrophobicContact CB-CE2 4.4Å; H77-Y133 HydrophobicContact CB-CG 3.95Å; H77-Y133 AromaticContact CD2-CD2 3.54Å; H77-Y133 AromaticContact CD2-CG 3.55Å; H77-Y133 AromaticContact CG-CG 3.86Å; I80-Y133 HydrophobicContact CD1-CD1 3.55Å; I80-Y133 HydrophobicContact CD1-CE1 4.3Å; I80-Y133 HydrophobicContact CD1-CG 4.3Å; S129-Y133 PolarHBondContact O-N 2.86Å; S129-Y133 VanDerWaalsContact O-N 3.09Å; G130-Y133 WeakPolarHBondContact O-CB 3.24Å; G130-Y133 PolarHBondContact O-N 3.11Å; V131-Y133 VanDerWaalsContact C-N 3.29Å; V131-Y133 PolarHBondContact O-N 3.29Å; Y133-H135 PolarHBondContact O-N 3.22Å; Y133-R136 PolarHBondContact O-N 2.79Å; Y133-H137 AromaticContact CD1-ND1 3.79Å; Y133-H137 AromaticContact CD2-CE1 3.94Å; Y133-H137 AromaticContact CE1-CE1 3.6Å; Y133-H137 AromaticContact CE1-ND1 3.61Å; Y133-H137 AromaticContact CE2-CE1 3.39Å; Y133-H137 WeakPolarHBondContact CE2-CE1 3.41Å; Y133-H137 AromaticContact CZ-CE1 3.21Å; Y133-H137 AromaticContact CZ-ND1 3.73Å; Y133-H137 AromaticContact CZ-NE2 3.9Å; Y133-H137 PolarHBondContact O-N 3.26Å; Y133-H137 VanDerWaalsContact O-N 3.17Å; Y133-H137 PolarHBondContact O-ND1 3.48Å; Y133-H137 PolarHBondContact OH-CE1 3.02Å
134	C	89.2	Confident	90.8	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-49.5	173.5	-66	0	0	0	0	111.4	I80 G130 V131 R136 H137 K138 V139 F162	I80-C134 VanDerWaalsContact CD1-SG 3.52Å; G130-C134 PolarHBondContact O-N 3.2Å; G130-C134 PolarHBondContact O-SG 3.24Å; V131-C134 WeakPolarHBondContact O-CB 3.41Å; V131-C134 PolarHBondContact O-N 2.8Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 2.81Å; C134-H137 CarbonylContact O-C 3.47Å; C134-H137 WeakPolarHBondContact O-CA 3.41Å; C134-H137 PolarHBondContact O-N 3.35Å; C134-H137 VanDerWaalsContact O-N 3.08Å; C134-K138 PolarHBondContact O-N 3.45Å; C134-V139 CarbonylContact C-O 3.51Å; C134-V139 WeakPolarHBondContact CB-O 3.46Å; C134-V139 PolarHBondContact O-N 2.81Å; C134-V139 VanDerWaalsContact O-O 3.05Å; C134-F162 VanDerWaalsContact SG-CE1 3.58Å
135	H	89.2	Confident	90.5	Very high	25 Å²	25	20.7 Å²	20.7	12%	0.116	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-38	-177.7	-68.8	-177.4	0	0	0	112.1	V131 A132 Y133 H137 K138 V139 M168 P197 D200	V131-H135 VanDerWaalsContact CG1-CE1 3.45Å; V131-H135 WeakPolarHBondContact CG1-CE1 3.34Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.39Å; V131-H135 PolarHBondContact O-CD2 2.97Å; V131-H135 PolarHBondContact O-N 3.13Å; A132-H135 PolarHBondContact O-N 3.34Å; Y133-H135 PolarHBondContact O-N 3.22Å; H135-H137 VanDerWaalsContact C-N 3.27Å; H135-H137 PolarHBondContact O-N 2.96Å; H135-K138 WeakPolarHBondContact O-CA 3.25Å; H135-K138 PolarHBondContact O-N 3.31Å; H135-V139 PolarHBondContact CD2-O 2.83Å; H135-V139 PolarHBondContact N-O 3.39Å; H135-M168 HydrophobicContact CB-CE 4.42Å; H135-M168 WeakPolarHBondContact O-CE 3.24Å; H135-P197 VanDerWaalsContact CE1-CA 3.46Å; H135-P197 WeakPolarHBondContact CE1-CA 3.26Å; H135-D200 IonicContact CD2-OD2 3.95Å; H135-D200 IonicContact CE1-OD2 3.7Å; H135-D200 IonicContact NE2-OD2 2.64Å; H135-D200 PolarHBondContact NE2-OD2 2.97Å
136	R	84.2	Confident	90.4	Very high	110 Å²	110	20.4 Å²	20.4	42%	0.415	9%	0.091	S	C	.	.	H	α-helix	trans	-60.3	-37.1	173.6	-174.1	174.8	179.7	-133.6	-8.1	111.9	A132 Y133 C134 K138 E284 E287	A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.07Å; Y133-R136 PolarHBondContact O-N 2.79Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 2.81Å; R136-K138 PolarHBondContact O-N 3.46Å; R136-E284 IonicContact CZ-OE1 2.95Å; R136-E284 IonicContact NE-OE1 2.89Å; R136-E284 PolarHBondContact NE-OE1 3.47Å; R136-E284 VanDerWaalsContact NH2-CD 3.28Å; R136-E284 IonicContact NH2-OE1 3.03Å; R136-E284 PolarHBondContact NH2-OE1 3.27Å; R136-E287 IonicContact CZ-OE1 3.54Å; R136-E287 IonicContact NH1-OE1 3.31Å; R136-E287 PolarHBondContact NH1-OE1 3.42Å; R136-E287 IonicContact NH1-OE2 2.89Å
137	H	76.5	Confident	90	Very high	66 Å²	66	22.7 Å²	22.7	31%	0.306	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	15.6	174.4	-69.3	80.6	0	0	0	113.7	F75 Y133 C134 H135 V139	F75-H137 HydrophobicContact CE1-CB 3.61Å; F75-H137 AromaticContact CE1-CG 3.94Å; F75-H137 HydrophobicContact CZ-CB 4.32Å; Y133-H137 AromaticContact CD1-ND1 3.79Å; Y133-H137 AromaticContact CD2-CE1 3.94Å; Y133-H137 AromaticContact CE1-CE1 3.6Å; Y133-H137 AromaticContact CE1-ND1 3.61Å; Y133-H137 AromaticContact CE2-CE1 3.39Å; Y133-H137 WeakPolarHBondContact CE2-CE1 3.41Å; Y133-H137 AromaticContact CZ-CE1 3.21Å; Y133-H137 AromaticContact CZ-ND1 3.73Å; Y133-H137 AromaticContact CZ-NE2 3.9Å; Y133-H137 PolarHBondContact O-N 3.26Å; Y133-H137 VanDerWaalsContact O-N 3.17Å; Y133-H137 PolarHBondContact O-ND1 3.48Å; Y133-H137 PolarHBondContact OH-CE1 3.02Å; C134-H137 CarbonylContact O-C 3.47Å; C134-H137 WeakPolarHBondContact O-CA 3.41Å; C134-H137 PolarHBondContact O-N 3.35Å; C134-H137 VanDerWaalsContact O-N 3.08Å; H135-H137 VanDerWaalsContact C-N 3.27Å; H135-H137 PolarHBondContact O-N 2.96Å; H137-V139 PolarHBondContact O-N 3.48Å
138	K	79.4	Confident	89.8	Confident	93 Å²	93	23.4 Å²	23.4	40%	0.404	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	28.3	-179.4	-56	-69.2	-174.2	155.9	0	113.2	C134 H135 R136 I167 M168 D170	C134-K138 PolarHBondContact O-N 3.45Å; H135-K138 WeakPolarHBondContact O-CA 3.25Å; H135-K138 PolarHBondContact O-N 3.31Å; R136-K138 PolarHBondContact O-N 3.46Å; K138-I167 HydrophobicContact CB-CG2 4.48Å; K138-I167 CarbonylContact O-C 3.58Å; K138-I167 VanDerWaalsContact O-CA 3.31Å; K138-I167 WeakPolarHBondContact O-CA 3.33Å; K138-M168 HydrophobicContact CB-CB 4.32Å; K138-M168 PolarHBondContact O-N 3.41Å; K138-D170 IonicContact NZ-OD1 3.82Å; K138-D170 PolarHBondContact NZ-OD1 3.22Å
139	V	80.5	Confident	89.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	176.1	178.6	0	0	0	0	109.9	N71 F75 C134 H135 H137 F162	N71-V139 HydrophobicContact CB-CG2 4.22Å; F75-V139 HydrophobicContact CE1-CG2 4.18Å; F75-V139 HydrophobicContact CE2-CG1 4.36Å; F75-V139 HydrophobicContact CZ-CB 3.73Å; F75-V139 HydrophobicContact CZ-CG1 4.01Å; F75-V139 HydrophobicContact CZ-CG2 3.61Å; C134-V139 CarbonylContact C-O 3.51Å; C134-V139 WeakPolarHBondContact CB-O 3.46Å; C134-V139 PolarHBondContact O-N 2.81Å; C134-V139 VanDerWaalsContact O-O 3.05Å; H135-V139 PolarHBondContact CD2-O 2.83Å; H135-V139 PolarHBondContact N-O 3.39Å; H137-V139 PolarHBondContact O-N 3.48Å; V139-F162 HydrophobicContact CG1-CD1 4.22Å; V139-F162 HydrophobicContact CG1-CE1 4.42Å
140	V	87.8	Confident	89.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.9	173.1	178.2	0	0	0	0	107.6	R142 S165 N166 M168 G196 P197 D200	V140-R142 HydrophobicContact CB-CG 4.28Å; V140-R142 HydrophobicContact CG1-CG 3.59Å; V140-S165 VanDerWaalsContact O-CA 3.24Å; V140-S165 WeakPolarHBondContact O-CA 3.36Å; V140-S165 WeakPolarHBondContact O-CB 3.18Å; V140-N166 PolarHBondContact N-O 3.32Å; V140-N166 PolarHBondContact O-N 3.49Å; V140-M168 HydrophobicContact CG2-CE 3.69Å; V140-M168 HydrophobicContact CG2-CG 3.46Å; V140-M168 VanDerWaalsContact CG2-CG 3.46Å; V140-M168 HydrophobicContact CG2-SD 3.53Å; V140-M168 VanDerWaalsContact CG2-SD 3.53Å; V140-G196 VanDerWaalsContact CG1-O 3.32Å; V140-G196 WeakPolarHBondContact CG1-O 3.38Å; V140-P197 HydrophobicContact CG2-CG 4.23Å; V140-D200 VanDerWaalsContact CG1-OD2 3.26Å; V140-D200 WeakPolarHBondContact CG1-OD2 3.42Å
141	H	89.3	Confident	89.7	Confident	3 Å²	3	25.3 Å²	25.3	1%	0.014	12%	0.115	C	C	.	.			trans	-75.8	-45.7	-173.2	-170.4	-79.3	0	0	0	112	D143 L144 A160 D161 F162 S165 D200	H141-D143 PolarHBondContact CE1-O 3.08Å; H141-D143 VanDerWaalsContact ND1-C 3.28Å; H141-D143 PolarHBondContact ND1-N 3.41Å; H141-D143 PolarHBondContact ND1-O 3.09Å; H141-D143 PolarHBondContact O-N 3.1Å; H141-L144 HydrophobicContact CB-CD1 4.28Å; H141-L144 HydrophobicContact CB-CD2 3.99Å; H141-L144 HydrophobicContact CB-CG 3.81Å; H141-L144 PolarHBondContact ND1-N 3.5Å; H141-A160 PolarHBondContact NE2-O 2.87Å; H141-A160 VanDerWaalsContact NE2-O 3.08Å; H141-D161 PolarHBondContact CE1-O 3.2Å; H141-D161 PolarHBondContact NE2-O 3.41Å; H141-F162 AromaticContact CD2-CD1 3.82Å; H141-F162 AromaticContact CD2-CE1 3.67Å; H141-F162 AromaticContact CD2-CZ 3.94Å; H141-S165 WeakPolarHBondContact O-CA 3.18Å; H141-D200 PolarHBondContact N-OD1 2.73Å; H141-D200 PolarHBondContact N-OD2 3.1Å
142	R	87.5	Confident	89.5	Confident	24 Å²	24	25.9 Å²	25.9	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	66.3	-12.2	177.5	-54.1	-168.2	-63.2	173.5	-1.5	117.7	V140 L164 S165 D200	V140-R142 HydrophobicContact CB-CG 4.28Å; V140-R142 HydrophobicContact CG1-CG 3.59Å; R142-L164 PolarHBondContact NE-O 2.98Å; R142-L164 PolarHBondContact NH2-O 3.26Å; R142-S165 PolarHBondContact NH2-O 3.1Å; R142-D200 PolarHBondContact N-OD1 3.28Å
143	D	88.7	Confident	89.4	Confident	10 Å²	10	29.3 Å²	29.3	5%	0.053	14%	0.141	C	C	.	.			trans	-128.4	44.6	172.8	-166.6	34.6	0	0	0	111.5	H141 K145 N148 L164 G179 S180	H141-D143 PolarHBondContact CE1-O 3.08Å; H141-D143 VanDerWaalsContact ND1-C 3.28Å; H141-D143 PolarHBondContact ND1-N 3.41Å; H141-D143 PolarHBondContact ND1-O 3.09Å; H141-D143 PolarHBondContact O-N 3.1Å; D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 IonicContact OD1-NZ 3.81Å; D143-K145 PolarHBondContact OD1-NZ 3.33Å; D143-K145 IonicContact OD2-NZ 3.14Å; D143-K145 PolarHBondContact OD2-NZ 2.79Å; D143-N148 PolarHBondContact O-ND2 3.42Å; D143-N148 PolarHBondContact OD2-ND2 3.04Å; D143-L164 HydrophobicContact CB-CB 4.2Å; D143-L164 HydrophobicContact CB-CD1 3.77Å; D143-G179 VanDerWaalsContact OD1-CA 3.26Å; D143-G179 WeakPolarHBondContact OD1-CA 3.42Å; D143-S180 PolarHBondContact OD1-N 2.86Å
144	L	94.7	Very high	89.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.161	C	C	.	.			trans	-70.9	119.3	174.3	-71.2	169.9	0	0	0	109.4	V131 H141 I159 D200 S203 I207	V131-L144 HydrophobicContact CG1-CD1 4.43Å; V131-L144 HydrophobicContact CG2-CD1 3.62Å; V131-L144 HydrophobicContact CG2-CD2 4.22Å; H141-L144 HydrophobicContact CB-CD1 4.28Å; H141-L144 HydrophobicContact CB-CD2 3.99Å; H141-L144 HydrophobicContact CB-CG 3.81Å; H141-L144 PolarHBondContact ND1-N 3.5Å; L144-I159 HydrophobicContact CD2-CG2 4.18Å; L144-D200 HydrophobicContact CD1-CB 3.68Å; L144-S203 WeakPolarHBondContact O-CB 3.34Å; L144-I207 HydrophobicContact CB-CD1 4.12Å
145	K	93.5	Very high	89.6	Confident	37 Å²	37	36.9 Å²	36.9	16%	0.161	18%	0.18	C	C	.	.			trans	-157.7	158	176.6	62.7	-172.8	-176	-140.3	0	109.1	D143 E147 N148 L149 Y183	D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 IonicContact OD1-NZ 3.81Å; D143-K145 PolarHBondContact OD1-NZ 3.33Å; D143-K145 IonicContact OD2-NZ 3.14Å; D143-K145 PolarHBondContact OD2-NZ 2.79Å; K145-E147 VanDerWaalsContact CB-OE2 3.32Å; K145-E147 WeakPolarHBondContact CB-OE2 3.49Å; K145-E147 HydrophobicContact CD-CB 4.4Å; K145-E147 HydrophobicContact CG-CB 4.21Å; K145-E147 VanDerWaalsContact CG-OE2 3.27Å; K145-E147 WeakPolarHBondContact CG-OE2 3.37Å; K145-E147 PolarHBondContact O-N 3.43Å; K145-E147 VanDerWaalsContact O-N 3.11Å; K145-N148 HydrophobicContact CG-CB 4.19Å; K145-N148 PolarHBondContact O-N 2.8Å; K145-L149 PolarHBondContact O-N 2.86Å; K145-Y183 HydrophobicContact CB-CD1 4.23Å; K145-Y183 HydrophobicContact CB-CD2 3.73Å; K145-Y183 HydrophobicContact CB-CE1 4.35Å; K145-Y183 HydrophobicContact CB-CE2 3.83Å; K145-Y183 HydrophobicContact CB-CG 3.93Å
146	P	94.4	Very high	89.8	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.4	-27.3	-178.1	-26.8	36.9	0	0	0	114.9	L105 F106 I109 N148 L149 Y183 I207	L105-P146 HydrophobicContact CB-CB 4.4Å; L105-P146 PolarHBondContact N-O 3.4Å; F106-P146 HydrophobicContact CB-CB 3.84Å; F106-P146 HydrophobicContact CD2-CB 4.29Å; F106-P146 PolarHBondContact N-O 3.09Å; I109-P146 HydrophobicContact CD1-CB 4.2Å; I109-P146 HydrophobicContact CD1-CG 4.19Å; P146-N148 VanDerWaalsContact C-N 3.31Å; P146-L149 PolarHBondContact O-N 3.19Å; P146-L149 VanDerWaalsContact O-O 3.08Å; P146-Y183 WeakPolarHBondContact CD-OH 2.98Å; P146-Y183 HydrophobicContact CG-CE1 4.11Å; P146-I207 HydrophobicContact CG-CG1 4.32Å
147	E	90.3	Very high	90.4	Very high	57 Å²	57	31.5 Å²	31.5	27%	0.266	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-69.8	-27.3	175.8	-54.5	94.4	127.9	0	0	112.5	F106 K145	F106-E147 HydrophobicContact CB-CG 4.12Å; F106-E147 HydrophobicContact CD2-CG 4.38Å; F106-E147 HydrophobicContact CG-CG 4.23Å; K145-E147 VanDerWaalsContact CB-OE2 3.32Å; K145-E147 WeakPolarHBondContact CB-OE2 3.49Å; K145-E147 HydrophobicContact CD-CB 4.4Å; K145-E147 HydrophobicContact CG-CB 4.21Å; K145-E147 VanDerWaalsContact CG-OE2 3.27Å; K145-E147 WeakPolarHBondContact CG-OE2 3.37Å; K145-E147 PolarHBondContact O-N 3.43Å; K145-E147 VanDerWaalsContact O-N 3.11Å
148	N	92.9	Very high	91.3	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-95.2	8.2	175.9	-70.6	-12.8	0	0	0	112.5	D143 K145 P146 A160	D143-N148 PolarHBondContact O-ND2 3.42Å; D143-N148 PolarHBondContact OD2-ND2 3.04Å; K145-N148 HydrophobicContact CG-CB 4.19Å; K145-N148 PolarHBondContact O-N 2.8Å; P146-N148 VanDerWaalsContact C-N 3.31Å; N148-A160 PolarHBondContact O-N 2.8Å
149	L	96	Very high	92	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.3	175.5	-63.9	177.4	0	0	0	108.1	L105 I127 K145 P146 V157 I159 I207	L105-L149 HydrophobicContact CB-CB 3.9Å; L105-L149 VanDerWaalsContact CB-O 3.27Å; L105-L149 WeakPolarHBondContact CB-O 3.49Å; L105-L149 HydrophobicContact CD2-CB 4Å; L105-L149 HydrophobicContact CD2-CD1 3.68Å; L105-L149 PolarHBondContact N-O 3.07Å; I127-L149 HydrophobicContact CD1-CD1 3.64Å; I127-L149 HydrophobicContact CG1-CD1 3.94Å; I127-L149 HydrophobicContact CG1-CD2 4.39Å; K145-L149 PolarHBondContact O-N 2.86Å; P146-L149 PolarHBondContact O-N 3.19Å; P146-L149 VanDerWaalsContact O-O 3.08Å; L149-V157 HydrophobicContact CB-CG1 4.19Å; L149-V157 HydrophobicContact CD2-CG1 3.96Å; L149-I159 HydrophobicContact CD2-CB 4.33Å; L149-I159 HydrophobicContact CD2-CG1 3.69Å; L149-I207 HydrophobicContact CD1-CD1 3.98Å; L149-I207 HydrophobicContact CD1-CG2 4.11Å
150	L	95.4	Very high	92.4	Very high	38 Å²	38	24.9 Å²	24.9	20%	0.199	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	158	-179.1	-56.2	179.2	0	0	0	110.8	I81 V100 G103 E104 V157 K158 A160	I81-L150 HydrophobicContact CD1-CD1 4.42Å; V100-L150 HydrophobicContact CB-CB 4.4Å; V100-L150 HydrophobicContact CG2-CB 3.46Å; V100-L150 VanDerWaalsContact CG2-CB 3.46Å; V100-L150 HydrophobicContact CG2-CD1 3.33Å; V100-L150 HydrophobicContact CG2-CG 3.99Å; G103-L150 CarbonylContact O-C 3.59Å; G103-L150 VanDerWaalsContact O-CA 3.31Å; G103-L150 WeakPolarHBondContact O-CA 3.29Å; E104-L150 HydrophobicContact CB-CD2 4.48Å; E104-L150 HydrophobicContact CG-CD2 3.81Å; L150-V157 CarbonylContact O-C 3.46Å; L150-V157 WeakPolarHBondContact O-CA 3.38Å; L150-K158 HydrophobicContact CB-CB 4.4Å; L150-K158 PolarHBondContact N-O 2.87Å; L150-K158 PolarHBondContact O-N 2.78Å; L150-A160 HydrophobicContact CD1-CB 3.7Å; L150-A160 HydrophobicContact CG-CB 3.9Å
151	L	95.1	Very high	91.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.4	175.7	-62.6	-179.2	0	0	0	110.6	G102 G103 L105 Y108 F123 N156 V157	G102-L151 WeakPolarHBondContact CA-O 3.41Å; G102-L151 PolarHBondContact N-O 2.87Å; G103-L151 PolarHBondContact O-N 3.49Å; L105-L151 HydrophobicContact CD1-CD1 4.18Å; L105-L151 HydrophobicContact CD1-CD2 4.24Å; L105-L151 HydrophobicContact CD1-CG 4.49Å; Y108-L151 HydrophobicContact CD2-CD1 3.87Å; Y108-L151 HydrophobicContact CG-CD1 3.86Å; F123-L151 HydrophobicContact CD1-CD2 4.05Å; F123-L151 HydrophobicContact CE1-CD1 4.27Å; F123-L151 HydrophobicContact CE1-CD2 3.61Å; L151-N156 WeakPolarHBondContact CA-O 3.48Å; L151-V157 HydrophobicContact CD2-CG2 4.14Å
152	D	91.9	Very high	91.1	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	15%	0.15	C	C	.	.			trans	-80.7	-179.2	167.5	73.9	9.8	0	0	0	111.7	N154 Q155 N156	D152-N154 PolarHBondContact O-N 3.28Å; D152-N154 VanDerWaalsContact OD1-C 3.24Å; D152-N154 VanDerWaalsContact OD1-CA 3.29Å; D152-N154 WeakPolarHBondContact OD1-CA 3.39Å; D152-N154 WeakPolarHBondContact OD1-CB 3.04Å; D152-N154 PolarHBondContact OD1-N 3.13Å; D152-Q155 PolarHBondContact O-N 2.88Å; D152-Q155 VanDerWaalsContact O-N 3.12Å; D152-Q155 PolarHBondContact OD1-N 3.36Å; D152-N156 PolarHBondContact N-O 3.13Å; D152-N156 PolarHBondContact OD1-N 3.21Å; D152-N156 PolarHBondContact OD1-ND2 3.37Å; D152-N156 WeakPolarHBondContact OD2-CB 3.48Å; D152-N156 PolarHBondContact OD2-ND2 3.23Å
153	S	90.6	Very high	89.7	Confident	92 Å²	92	27.9 Å²	27.9	64%	0.643	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.3	177.6	53.9	0	0	0	0	114.1
154	N	90.8	Very high	88.1	Confident	96 Å²	96	30.5 Å²	30.5	51%	0.513	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.8	179.2	-64.2	-43	0	0	0	112.6	D152 N156	D152-N154 PolarHBondContact O-N 3.28Å; D152-N154 VanDerWaalsContact OD1-C 3.24Å; D152-N154 VanDerWaalsContact OD1-CA 3.29Å; D152-N154 WeakPolarHBondContact OD1-CA 3.39Å; D152-N154 WeakPolarHBondContact OD1-CB 3.04Å; D152-N154 PolarHBondContact OD1-N 3.13Å; N154-N156 VanDerWaalsContact C-N 3.32Å; N154-N156 PolarHBondContact O-N 3.28Å
155	Q	92.4	Very high	86.2	Confident	88 Å²	88	31.3 Å²	31.3	41%	0.411	18%	0.175	S	C	.	.			trans	57.4	40	-174.7	-57.3	-178.8	-1.2	0	0	113.2	Y108 F123 D152	Y108-Q155 PolarHBondContact OH-OE1 3.4Å; F123-Q155 HydrophobicContact CE1-CB 4.28Å; F123-Q155 WeakPolarHBondContact CE1-O 3.47Å; F123-Q155 HydrophobicContact CZ-CB 4.28Å; D152-Q155 PolarHBondContact O-N 2.88Å; D152-Q155 VanDerWaalsContact O-N 3.12Å; D152-Q155 PolarHBondContact OD1-N 3.36Å
156	N	94.7	Very high	84.5	Confident	22 Å²	22	31.5 Å²	31.5	12%	0.118	18%	0.178	C	C	.	.			trans	-92.9	142	165.5	-53.9	-59	0	0	0	110.8	Q126 L151 D152 N154	Q126-N156 PolarHBondContact NE2-OD1 2.97Å; Q126-N156 VanDerWaalsContact OE1-CA 3.24Å; L151-N156 WeakPolarHBondContact CA-O 3.48Å; D152-N156 PolarHBondContact N-O 3.13Å; D152-N156 PolarHBondContact OD1-N 3.21Å; D152-N156 PolarHBondContact OD1-ND2 3.37Å; D152-N156 WeakPolarHBondContact OD2-CB 3.48Å; D152-N156 PolarHBondContact OD2-ND2 3.23Å; N154-N156 VanDerWaalsContact C-N 3.32Å; N154-N156 PolarHBondContact O-N 3.28Å
157	V	96.7	Very high	82.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	139	178.8	-174.9	0	0	0	0	111	H79 F123 Q126 I127 L149 L150 L151	H79-V157 VanDerWaalsContact CA-O 3.29Å; H79-V157 WeakPolarHBondContact CA-O 3.39Å; H79-V157 WeakPolarHBondContact CB-O 3.26Å; H79-V157 PolarHBondContact ND1-O 2.77Å; F123-V157 HydrophobicContact CB-CG2 4.21Å; F123-V157 HydrophobicContact CD1-CG2 3.61Å; F123-V157 HydrophobicContact CG-CG2 4.41Å; Q126-V157 HydrophobicContact CB-CB 4.07Å; Q126-V157 HydrophobicContact CB-CG2 4.19Å; I127-V157 HydrophobicContact CG1-CB 4.35Å; I127-V157 HydrophobicContact CG1-CG1 3.77Å; I127-V157 HydrophobicContact CG1-CG2 4.16Å; L149-V157 HydrophobicContact CB-CG1 4.19Å; L149-V157 HydrophobicContact CD2-CG1 3.96Å; L150-V157 CarbonylContact O-C 3.46Å; L150-V157 WeakPolarHBondContact O-CA 3.38Å; L151-V157 HydrophobicContact CD2-CG2 4.14Å
158	K	94.7	Very high	80.8	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	109.6	174.1	-66.9	-82.8	-172.4	170.9	0	108.7	P78 I81 E98 V100 L150 A160	P78-K158 VanDerWaalsContact O-CD 3.27Å; P78-K158 WeakPolarHBondContact O-CD 3.4Å; P78-K158 WeakPolarHBondContact O-CE 3.23Å; P78-K158 PolarHBondContact O-NZ 3.31Å; I81-K158 HydrophobicContact CD1-CB 3.7Å; I81-K158 HydrophobicContact CD1-CD 4.46Å; I81-K158 HydrophobicContact CD1-CG 4.36Å; I81-K158 HydrophobicContact CG1-CB 4.12Å; E98-K158 WeakPolarHBondContact OE1-CE 3.33Å; E98-K158 IonicContact OE1-NZ 2.66Å; E98-K158 PolarHBondContact OE1-NZ 2.87Å; E98-K158 IonicContact OE2-NZ 2.62Å; E98-K158 PolarHBondContact OE2-NZ 2.77Å; V100-K158 HydrophobicContact CG1-CB 4.16Å; V100-K158 HydrophobicContact CG1-CD 4.41Å; V100-K158 HydrophobicContact CG1-CG 3.79Å; L150-K158 HydrophobicContact CB-CB 4.4Å; L150-K158 PolarHBondContact N-O 2.87Å; L150-K158 PolarHBondContact O-N 2.78Å; K158-A160 PolarHBondContact O-N 2.99Å
159	I	94.7	Very high	78.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.1	176.7	-58.7	171.6	0	0	0	108.6	H79 I81 V131 L144 L149 F162	H79-I159 WeakPolarHBondContact O-CG1 3.32Å; H79-I159 PolarHBondContact O-N 2.99Å; I81-I159 WeakPolarHBondContact CG1-O 3.47Å; I81-I159 PolarHBondContact N-O 2.78Å; V131-I159 HydrophobicContact CG2-CD1 3.92Å; L144-I159 HydrophobicContact CD2-CG2 4.18Å; L149-I159 HydrophobicContact CD2-CB 4.33Å; L149-I159 HydrophobicContact CD2-CG1 3.69Å; I159-F162 HydrophobicContact CG2-CE2 4.13Å; I159-F162 HydrophobicContact CG2-CZ 4Å
160	A	89.1	Confident	76.7	Confident	13 Å²	13	39.7 Å²	39.7	11%	0.107	22%	0.221	C	C	.	.			trans	-118.5	166.7	-178.9	0	0	0	0	0	111.5	I81 H141 N148 L150 K158	I81-A160 HydrophobicContact CG1-CB 3.89Å; H141-A160 PolarHBondContact NE2-O 2.87Å; H141-A160 VanDerWaalsContact NE2-O 3.08Å; N148-A160 PolarHBondContact O-N 2.8Å; L150-A160 HydrophobicContact CD1-CB 3.7Å; L150-A160 HydrophobicContact CG-CB 3.9Å; K158-A160 PolarHBondContact O-N 2.99Å
161	D	77.6	Confident	74.7	Confident	67 Å²	67	40.7 Å²	40.7	36%	0.358	24%	0.24	S	C	.	.			trans	56.2	78.6	172.7	-158.2	17.8	0	0	0	117.5	K49 H141 G163	K49-D161 IonicContact NZ-OD1 3.34Å; K49-D161 PolarHBondContact NZ-OD1 3.13Å; H141-D161 PolarHBondContact CE1-O 3.2Å; H141-D161 PolarHBondContact NE2-O 3.41Å; D161-G163 PolarHBondContact O-N 3.07Å; D161-G163 VanDerWaalsContact O-N 3.17Å; D161-G163 PolarHBondContact OD1-N 3.38Å
162	F	71.6	Confident	73.2	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.013	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-80.8	17.7	172	-70.4	-100.9	0	0	0	113.2	E68 L72 F75 I80 C134 V139 H141 I159 L164 S165	E68-F162 HydrophobicContact CG-CB 4.21Å; L72-F162 HydrophobicContact CD1-CB 4.38Å; L72-F162 HydrophobicContact CD2-CB 4.32Å; L72-F162 HydrophobicContact CD2-CD2 3.36Å; L72-F162 HydrophobicContact CD2-CE2 3.78Å; L72-F162 HydrophobicContact CD2-CG 3.94Å; L72-F162 HydrophobicContact CG-CB 4.27Å; L72-F162 HydrophobicContact CG-CD2 4.21Å; L72-F162 HydrophobicContact CG-CG 4.37Å; F75-F162 HydrophobicContact CD2-CE1 4.31Å; F75-F162 HydrophobicContact CD2-CZ 4.17Å; F75-F162 HydrophobicContact CE2-CD1 4.16Å; F75-F162 AromaticContact CE2-CE1 3.62Å; F75-F162 HydrophobicContact CE2-CE1 3.62Å; F75-F162 AromaticContact CE2-CZ 3.92Å; F75-F162 HydrophobicContact CE2-CZ 3.92Å; I80-F162 HydrophobicContact CG2-CE2 3.71Å; I80-F162 HydrophobicContact CG2-CZ 3.76Å; C134-F162 VanDerWaalsContact SG-CE1 3.58Å; V139-F162 HydrophobicContact CG1-CD1 4.22Å; V139-F162 HydrophobicContact CG1-CE1 4.42Å; H141-F162 AromaticContact CD2-CD1 3.82Å; H141-F162 AromaticContact CD2-CE1 3.67Å; H141-F162 AromaticContact CD2-CZ 3.94Å; I159-F162 HydrophobicContact CG2-CE2 4.13Å; I159-F162 HydrophobicContact CG2-CZ 4Å; F162-L164 PolarHBondContact O-N 3.17Å; F162-L164 VanDerWaalsContact O-N 3.1Å; F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.14Å; F162-S165 PolarHBondContact O-OG 2.83Å
163	G	58.7	Low	71.9	Confident	20 Å²	20	49 Å²	49	21%	0.206	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.7	-20	-176.5	0	0	0	0	0	114.9	E68 D161	E68-G163 PolarHBondContact OE1-N 3.32Å; D161-G163 PolarHBondContact O-N 3.07Å; D161-G163 VanDerWaalsContact O-N 3.17Å; D161-G163 PolarHBondContact OD1-N 3.38Å
164	L	54.9	Low	70.6	Confident	64 Å²	64	45.5 Å²	45.5	34%	0.335	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-109	4.7	172.8	-64	177.1	0	0	0	113.1	R142 D143 F162 C178	R142-L164 PolarHBondContact NE-O 2.98Å; R142-L164 PolarHBondContact NH2-O 3.26Å; D143-L164 HydrophobicContact CB-CB 4.2Å; D143-L164 HydrophobicContact CB-CD1 3.77Å; F162-L164 PolarHBondContact O-N 3.17Å; F162-L164 VanDerWaalsContact O-N 3.1Å; L164-C178 HydrophobicContact CD1-CB 4.34Å; L164-C178 HydrophobicContact CD2-CB 4.38Å
165	S	54.8	Low	69.2	Low	19 Å²	19	49.5 Å²	49.5	13%	0.133	26%	0.259	C	S	.	.			trans	-63.1	158.2	179.8	70.6	0	0	0	0	112	V140 H141 R142 F162	V140-S165 VanDerWaalsContact O-CA 3.24Å; V140-S165 WeakPolarHBondContact O-CA 3.36Å; V140-S165 WeakPolarHBondContact O-CB 3.18Å; H141-S165 WeakPolarHBondContact O-CA 3.18Å; R142-S165 PolarHBondContact NH2-O 3.1Å; F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.14Å; F162-S165 PolarHBondContact O-OG 2.83Å
166	N	58.1	Low	67.7	Low	40 Å²	40	49 Å²	49	21%	0.214	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.1	169.9	-150.6	-4.5	0	0	0	110.9	V140 L174	V140-N166 PolarHBondContact N-O 3.32Å; V140-N166 PolarHBondContact O-N 3.49Å; N166-L174 HydrophobicContact CB-CD1 4.05Å; N166-L174 HydrophobicContact CB-CD2 4.43Å; N166-L174 WeakPolarHBondContact ND2-CD2 3.46Å
167	I	53.7	Low	66	Low	43 Å²	43	51.7 Å²	51.7	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.7	171.3	-60.1	-177.7	0	0	0	107.8	R67 N71 K138 Q169	R67-I167 HydrophobicContact CG-CD1 3.46Å; R67-I167 VanDerWaalsContact CG-CD1 3.46Å; R67-I167 HydrophobicContact CG-CG1 3.99Å; N71-I167 VanDerWaalsContact ND2-CG1 3.26Å; N71-I167 WeakPolarHBondContact ND2-CG1 3.26Å; N71-I167 WeakPolarHBondContact OD1-CD1 3.45Å; K138-I167 HydrophobicContact CB-CG2 4.48Å; K138-I167 CarbonylContact O-C 3.58Å; K138-I167 VanDerWaalsContact O-CA 3.31Å; K138-I167 WeakPolarHBondContact O-CA 3.33Å; I167-Q169 PolarHBondContact O-N 2.93Å
168	M	52.5	Low	64.3	Low	32 Å²	32	52.7 Å²	52.7	16%	0.158	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64.9	120.1	165.3	-67.7	-178	-83.1	0	0	108.6	H135 K138 V140 P197	H135-M168 HydrophobicContact CB-CE 4.42Å; H135-M168 WeakPolarHBondContact O-CE 3.24Å; K138-M168 HydrophobicContact CB-CB 4.32Å; K138-M168 PolarHBondContact O-N 3.41Å; V140-M168 HydrophobicContact CG2-CE 3.69Å; V140-M168 HydrophobicContact CG2-CG 3.46Å; V140-M168 VanDerWaalsContact CG2-CG 3.46Å; V140-M168 HydrophobicContact CG2-SD 3.53Å; V140-M168 VanDerWaalsContact CG2-SD 3.53Å; M168-P197 HydrophobicContact CE-CG 3.93Å; M168-P197 WeakPolarHBondContact SD-CD 3.18Å; M168-P197 HydrophobicContact SD-CG 3.31Å; M168-P197 WeakPolarHBondContact SD-CG 3.4Å
169	Q	52.1	Low	62.8	Low	57 Å²	57	54 Å²	54	27%	0.266	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-98.6	136.1	165.6	-66.9	178.5	53.4	0	0	107.9	I167 G171 E172	I167-Q169 PolarHBondContact O-N 2.93Å; Q169-G171 PolarHBondContact O-N 2.69Å; Q169-G171 VanDerWaalsContact O-N 3.14Å; Q169-E172 HydrophobicContact CB-CB 4.03Å; Q169-E172 HydrophobicContact CB-CG 3.9Å; Q169-E172 PolarHBondContact NE2-OE2 3.17Å; Q169-E172 PolarHBondContact O-N 3.05Å; Q169-E172 PolarHBondContact OE1-OE2 3.31Å
170	D	50.4	Low	62.1	Low	115 Å²	115	55.3 Å²	55.3	62%	0.615	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125	-179.1	-62.5	-38.7	0	0	0	109.8	K138 E172 K545	K138-D170 IonicContact NZ-OD1 3.82Å; K138-D170 PolarHBondContact NZ-OD1 3.22Å; D170-E172 VanDerWaalsContact C-N 3.32Å; D170-E172 PolarHBondContact O-N 3.16Å; D170-K545 WeakPolarHBondContact O-CE 3.32Å; D170-K545 PolarHBondContact O-NZ 3.43Å
171	G	54.3	Low	62.1	Low	58 Å²	58	56.9 Å²	56.9	60%	0.598	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	8.3	-176.9	0	0	0	0	0	116.5	Q169 K545	Q169-G171 PolarHBondContact O-N 2.69Å; Q169-G171 VanDerWaalsContact O-N 3.14Å; G171-K545 VanDerWaalsContact O-CE 3.27Å; G171-K545 WeakPolarHBondContact O-CE 3.32Å; G171-K545 PolarHBondContact O-NZ 2.78Å
172	E	63.3	Low	62.9	Low	85 Å²	85	54.9 Å²	54.9	40%	0.397	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-97	139.8	168.2	-65.3	-159.1	151.8	0	0	110.5	Q169 D170 K545	Q169-E172 HydrophobicContact CB-CB 4.03Å; Q169-E172 HydrophobicContact CB-CG 3.9Å; Q169-E172 PolarHBondContact NE2-OE2 3.17Å; Q169-E172 PolarHBondContact O-N 3.05Å; Q169-E172 PolarHBondContact OE1-OE2 3.31Å; D170-E172 VanDerWaalsContact C-N 3.32Å; D170-E172 PolarHBondContact O-N 3.16Å; E172-K545 VanDerWaalsContact N-NZ 3.11Å
173	F	64.6	Low	64.1	Low	108 Å²	108	55.4 Å²	55.4	47%	0.474	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-100.7	147	172.1	-64	-85.4	0	0	0	111.1	L193 Y194	F173-L193 HydrophobicContact CB-CB 3.75Å; F173-L193 HydrophobicContact CB-CD1 4.3Å; F173-L193 HydrophobicContact CB-CD2 4.01Å; F173-L193 HydrophobicContact CB-CG 4.23Å; F173-L193 HydrophobicContact CD1-CB 4.44Å; F173-L193 HydrophobicContact CG-CB 4.15Å; F173-Y194 WeakPolarHBondContact CA-O 3.5Å
174	L	64.2	Low	65.7	Low	19 Å²	19	54.9 Å²	54.9	10%	0.099	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-91.2	143.1	173.9	-57.1	-176.1	0	0	0	110	N166 L193 Y194	N166-L174 HydrophobicContact CB-CD1 4.05Å; N166-L174 HydrophobicContact CB-CD2 4.43Å; N166-L174 WeakPolarHBondContact ND2-CD2 3.46Å; L174-L193 WeakPolarHBondContact O-CA 3.24Å; L174-Y194 HydrophobicContact CB-CD2 3.86Å; L174-Y194 HydrophobicContact CB-CE1 4.23Å; L174-Y194 HydrophobicContact CB-CE2 3.41Å; L174-Y194 VanDerWaalsContact CB-CE2 3.41Å; L174-Y194 HydrophobicContact CB-CG 4.44Å; L174-Y194 HydrophobicContact CD1-CD2 4.49Å; L174-Y194 HydrophobicContact CD1-CE2 3.85Å; L174-Y194 HydrophobicContact CG-CE2 4.2Å; L174-Y194 PolarHBondContact N-O 2.93Å; L174-Y194 VanDerWaalsContact O-CD1 3.32Å; L174-Y194 WeakPolarHBondContact O-CD1 3.29Å; L174-Y194 WeakPolarHBondContact O-CE1 3.48Å; L174-Y194 PolarHBondContact O-N 2.8Å
175	R	59.6	Low	67.7	Low	180 Å²	180	51.8 Å²	51.8	68%	0.679	29%	0.291	S	S	*	.			trans	-121	-20.8	178.6	-163.9	177.4	169	-163.3	-4.8	114	S177 L193	R175-S177 PolarHBondContact O-N 2.77Å; R175-S177 VanDerWaalsContact O-N 3.12Å; R175-L193 HydrophobicContact CB-CD2 3.65Å; R175-L193 HydrophobicContact CG-CD2 3.96Å
176	T	61.7	Low	69.6	Low	76 Å²	76	51.2 Å²	51.2	47%	0.466	29%	0.287	S	S	.	.			trans	-62.5	118.4	-170.1	-47.4	0	0	0	0	110.4	C178 Y194	T176-C178 HydrophobicContact CG2-CB 4.32Å; T176-C178 PolarHBondContact O-N 2.76Å; T176-C178 PolarHBondContact O-SG 3.41Å; T176-Y194 PolarHBondContact O-OH 3.38Å
177	S	58.1	Low	71.3	Confident	79 Å²	79	49.7 Å²	49.7	55%	0.552	28%	0.279	S	S	*	.			trans	-72.2	105.8	167	-59.3	0	0	0	0	108	R175 V188	R175-S177 PolarHBondContact O-N 2.77Å; R175-S177 VanDerWaalsContact O-N 3.12Å; S177-V188 PolarHBondContact OG-O 2.91Å
178	C	61.4	Low	73.1	Confident	22 Å²	22	47.9 Å²	47.9	15%	0.149	27%	0.269	C	S	.	.			trans	-142.1	157.8	179.4	37.7	0	0	0	0	108.9	L164 T176	L164-C178 HydrophobicContact CD1-CB 4.34Å; L164-C178 HydrophobicContact CD2-CB 4.38Å; T176-C178 HydrophobicContact CG2-CB 4.32Å; T176-C178 PolarHBondContact O-N 2.76Å; T176-C178 PolarHBondContact O-SG 3.41Å
179	G	63.1	Low	75	Confident	32 Å²	32	47.5 Å²	47.5	33%	0.33	27%	0.268	S	S	.	.	S	Bend	trans	101.6	167.4	-175.1	0	0	0	0	0	114.2	D143	D143-G179 VanDerWaalsContact OD1-CA 3.26Å; D143-G179 WeakPolarHBondContact OD1-CA 3.42Å
180	S	80.7	Confident	76.8	Confident	30 Å²	30	47 Å²	47	21%	0.21	27%	0.27	C	S	.	.			trans	-71.1	132.3	175.3	176.1	0	0	0	0	111.3	D143 N182 Y183 A184	D143-S180 PolarHBondContact OD1-N 2.86Å; S180-N182 VanDerWaalsContact C-N 3.26Å; S180-N182 PolarHBondContact O-N 3.07Å; S180-N182 VanDerWaalsContact O-N 3.11Å; S180-Y183 PolarHBondContact O-N 3.01Å; S180-Y183 VanDerWaalsContact O-N 3.07Å; S180-A184 PolarHBondContact O-N 3.4Å; S180-A184 VanDerWaalsContact O-N 3.17Å
181	P	89.6	Confident	78.4	Confident	45 Å²	45	42.8 Å²	42.8	29%	0.292	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-41.7	-177.4	-34.4	38.7	0	0	0	115.6	Y183 A184 L226 F227 I230	P181-Y183 VanDerWaalsContact C-N 3.29Å; P181-Y183 PolarHBondContact O-N 3.02Å; P181-A184 PolarHBondContact O-N 3.48Å; P181-L226 HydrophobicContact CB-CD2 3.82Å; P181-F227 HydrophobicContact CB-CE1 4.06Å; P181-I230 WeakPolarHBondContact O-CD1 3.43Å
182	N	94	Very high	79.9	Confident	25 Å²	25	46.4 Å²	46.4	13%	0.134	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.2	-175	-58.8	80	0	0	0	113.7	S180 L216 F218 D219	S180-N182 VanDerWaalsContact C-N 3.26Å; S180-N182 PolarHBondContact O-N 3.07Å; S180-N182 VanDerWaalsContact O-N 3.11Å; N182-L216 HydrophobicContact CB-CD1 3.92Å; N182-F218 PolarHBondContact ND2-O 2.93Å; N182-F218 VanDerWaalsContact ND2-O 3.12Å; N182-D219 PolarHBondContact ND2-OD1 2.97Å; N182-D219 VanDerWaalsContact ND2-OD1 3.08Å
183	Y	95.7	Very high	80.7	Confident	14 Å²	14	45.9 Å²	45.9	6%	0.055	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-7.8	-178.9	-58.2	-86.6	0	0	0	112.7	K145 P146 S180 P181 S203 V206 I207 L216	K145-Y183 HydrophobicContact CB-CD1 4.23Å; K145-Y183 HydrophobicContact CB-CD2 3.73Å; K145-Y183 HydrophobicContact CB-CE1 4.35Å; K145-Y183 HydrophobicContact CB-CE2 3.83Å; K145-Y183 HydrophobicContact CB-CG 3.93Å; P146-Y183 WeakPolarHBondContact CD-OH 2.98Å; P146-Y183 HydrophobicContact CG-CE1 4.11Å; S180-Y183 PolarHBondContact O-N 3.01Å; S180-Y183 VanDerWaalsContact O-N 3.07Å; P181-Y183 VanDerWaalsContact C-N 3.29Å; P181-Y183 PolarHBondContact O-N 3.02Å; Y183-S203 PolarHBondContact O-OG 3.36Å; Y183-V206 HydrophobicContact CD1-CB 3.98Å; Y183-V206 HydrophobicContact CD1-CG1 3.42Å; Y183-V206 VanDerWaalsContact CD1-CG1 3.42Å; Y183-V206 HydrophobicContact CE1-CG1 3.68Å; Y183-V206 HydrophobicContact CG-CG1 4.27Å; Y183-I207 HydrophobicContact CD1-CG1 4.23Å; Y183-I207 HydrophobicContact CE1-CG1 4.22Å; Y183-L216 HydrophobicContact CE1-CD2 3.98Å
184	A	93.9	Very high	81.7	Confident	9 Å²	9	41 Å²	41	7%	0.074	23%	0.232	C	C	.	.	S	Bend	trans	-78.7	138.2	-177.5	0	0	0	0	0	112.1	S180 P181 V188 I189 W202	S180-A184 PolarHBondContact O-N 3.4Å; S180-A184 VanDerWaalsContact O-N 3.17Å; P181-A184 PolarHBondContact O-N 3.48Å; A184-V188 HydrophobicContact CB-CB 4.48Å; A184-V188 HydrophobicContact CB-CG1 4.39Å; A184-I189 HydrophobicContact CB-CG2 3.73Å; A184-W202 PolarHBondContact O-NE1 2.92Å
185	A	95.5	Very high	82.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.			trans	-69	155.2	178.6	0	0	0	0	0	112.6	E187 V188 I189 V199 W202	A185-E187 HydrophobicContact CB-CG 4.37Å; A185-E187 PolarHBondContact O-N 3.21Å; A185-E187 VanDerWaalsContact O-N 3.17Å; A185-V188 HydrophobicContact CB-CG2 4.21Å; A185-V188 WeakPolarHBondContact O-CB 3.36Å; A185-V188 PolarHBondContact O-N 3.17Å; A185-I189 PolarHBondContact O-N 3.27Å; A185-V199 HydrophobicContact CB-CB 4.41Å; A185-V199 HydrophobicContact CB-CG1 4.11Å; A185-V199 HydrophobicContact CB-CG2 4.25Å; A185-W202 HydrophobicContact CB-CB 3.81Å; A185-W202 HydrophobicContact CB-CD2 4.19Å; A185-W202 HydrophobicContact CB-CG 3.73Å
186	P	95.8	Very high	84	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-54.2	-37.1	-178.5	-27.8	35.7	0	0	0	114.3	I189 S190 W202 I230 V255	P186-I189 VanDerWaalsContact O-CG1 3.28Å; P186-I189 WeakPolarHBondContact O-CG1 3.06Å; P186-S190 WeakPolarHBondContact O-CB 3.42Å; P186-S190 PolarHBondContact O-N 2.92Å; P186-S190 VanDerWaalsContact O-N 3.08Å; P186-S190 PolarHBondContact O-OG 3.31Å; P186-W202 HydrophobicContact CG-CE3 4.25Å; P186-W202 HydrophobicContact CG-CH2 3.5Å; P186-W202 HydrophobicContact CG-CZ2 3.93Å; P186-W202 HydrophobicContact CG-CZ3 3.69Å; P186-I230 HydrophobicContact CB-CG2 4.47Å; P186-I230 HydrophobicContact CG-CG2 4.02Å; P186-V255 HydrophobicContact CB-CG1 4.17Å; P186-V255 HydrophobicContact CG-CG1 4.14Å; P186-V255 HydrophobicContact CG-CG2 4.42Å
187	E	93.5	Very high	85.5	Confident	9 Å²	9	31.7 Å²	31.7	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-34.4	177.3	60	-86.5	-156.9	0	0	112.7	A185 S190 G191 K192 V199 R260	A185-E187 HydrophobicContact CB-CG 4.37Å; A185-E187 PolarHBondContact O-N 3.21Å; A185-E187 VanDerWaalsContact O-N 3.17Å; E187-S190 PolarHBondContact O-N 3.01Å; E187-G191 PolarHBondContact O-N 3.09Å; E187-G191 VanDerWaalsContact O-N 3.15Å; E187-K192 HydrophobicContact CB-CB 4.04Å; E187-K192 HydrophobicContact CB-CD 4.5Å; E187-K192 PolarHBondContact O-N 2.92Å; E187-V199 HydrophobicContact CG-CG2 4.33Å; E187-R260 IonicContact OE1-CZ 3.22Å; E187-R260 IonicContact OE1-NH1 3.68Å; E187-R260 PolarHBondContact OE1-NH1 2.89Å; E187-R260 IonicContact OE1-NH2 3.92Å; E187-R260 PolarHBondContact OE1-NH2 3.14Å; E187-R260 VanDerWaalsContact OE1-NH2 3.14Å; E187-R260 IonicContact OE2-CZ 3.31Å; E187-R260 IonicContact OE2-NH1 2.77Å; E187-R260 IonicContact OE2-NH2 2.81Å; E187-R260 PolarHBondContact OE2-NH2 2.96Å
188	V	92	Very high	87.2	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-47.7	177.8	-179.6	0	0	0	0	110.7	S177 A184 A185 S190 G191 Y194 V199	S177-V188 PolarHBondContact OG-O 2.91Å; A184-V188 HydrophobicContact CB-CB 4.48Å; A184-V188 HydrophobicContact CB-CG1 4.39Å; A185-V188 HydrophobicContact CB-CG2 4.21Å; A185-V188 WeakPolarHBondContact O-CB 3.36Å; A185-V188 PolarHBondContact O-N 3.17Å; V188-S190 PolarHBondContact O-N 3.15Å; V188-G191 PolarHBondContact O-N 2.95Å; V188-G191 VanDerWaalsContact O-N 3.12Å; V188-Y194 HydrophobicContact CG2-CD1 4.12Å; V188-Y194 HydrophobicContact CG2-CE1 3.92Å; V188-V199 HydrophobicContact CG2-CB 4.29Å; V188-V199 HydrophobicContact CG2-CG1 3.54Å; V188-V199 HydrophobicContact CG2-CG2 3.7Å
189	I	91.7	Very high	88.8	Confident	24 Å²	24	28.7 Å²	28.7	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-72.5	-14.4	177.7	65.2	162.9	0	0	0	112.8	A184 A185 P186 F227 I230 K231	A184-I189 HydrophobicContact CB-CG2 3.73Å; A185-I189 PolarHBondContact O-N 3.27Å; P186-I189 VanDerWaalsContact O-CG1 3.28Å; P186-I189 WeakPolarHBondContact O-CG1 3.06Å; I189-F227 HydrophobicContact CB-CD1 4.16Å; I189-F227 HydrophobicContact CB-CE1 4.05Å; I189-F227 HydrophobicContact CB-CZ 4.34Å; I189-F227 HydrophobicContact CD1-CB 4.04Å; I189-F227 HydrophobicContact CD1-CD1 3.81Å; I189-F227 HydrophobicContact CD1-CG 4.03Å; I189-F227 HydrophobicContact CG2-CD1 4.19Å; I189-F227 HydrophobicContact CG2-CE1 3.81Å; I189-F227 HydrophobicContact CG2-CZ 4.35Å; I189-I230 HydrophobicContact CD1-CB 3.67Å; I189-I230 HydrophobicContact CD1-CD1 4.19Å; I189-I230 HydrophobicContact CD1-CG2 3.47Å; I189-I230 VanDerWaalsContact CD1-CG2 3.47Å; I189-I230 HydrophobicContact CG1-CG2 4.3Å; I189-K231 HydrophobicContact CD1-CG 3.92Å; I189-K231 HydrophobicContact CG1-CG 4.47Å
190	S	89.7	Confident	90.4	Very high	46 Å²	46	27.2 Å²	27.2	32%	0.322	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.2	172.6	-58.9	0	0	0	0	113	P186 E187 V188 K192 K231	P186-S190 WeakPolarHBondContact O-CB 3.42Å; P186-S190 PolarHBondContact O-N 2.92Å; P186-S190 VanDerWaalsContact O-N 3.08Å; P186-S190 PolarHBondContact O-OG 3.31Å; E187-S190 PolarHBondContact O-N 3.01Å; V188-S190 PolarHBondContact O-N 3.15Å; S190-K192 PolarHBondContact O-N 3.47Å; S190-K231 WeakPolarHBondContact OG-CE 3.42Å
191	G	84.6	Confident	91.2	Very high	28 Å²	28	25.9 Å²	25.9	29%	0.289	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	21.9	-175.9	0	0	0	0	0	113.8	E187 V188	E187-G191 PolarHBondContact O-N 3.09Å; E187-G191 VanDerWaalsContact O-N 3.15Å; V188-G191 PolarHBondContact O-N 2.95Å; V188-G191 VanDerWaalsContact O-N 3.12Å
192	K	85.3	Confident	91.6	Very high	134 Å²	134	23.7 Å²	23.7	58%	0.583	14%	0.137	S	C	*	.			trans	-75.2	158	175.4	-68.7	-178	-179.8	-178.9	0	109.7	E187 S190 Y194	E187-K192 HydrophobicContact CB-CB 4.04Å; E187-K192 HydrophobicContact CB-CD 4.5Å; E187-K192 PolarHBondContact O-N 2.92Å; S190-K192 PolarHBondContact O-N 3.47Å; K192-Y194 WeakPolarHBondContact O-CD1 3.41Å
193	L	81.2	Confident	91.8	Very high	74 Å²	74	22.7 Å²	22.7	39%	0.387	13%	0.132	S	C	.	.			trans	-73	139.8	171.7	-68.9	176.7	0	0	0	110.2	F173 L174 R175 Y533	F173-L193 HydrophobicContact CB-CB 3.75Å; F173-L193 HydrophobicContact CB-CD1 4.3Å; F173-L193 HydrophobicContact CB-CD2 4.01Å; F173-L193 HydrophobicContact CB-CG 4.23Å; F173-L193 HydrophobicContact CD1-CB 4.44Å; F173-L193 HydrophobicContact CG-CB 4.15Å; L174-L193 WeakPolarHBondContact O-CA 3.24Å; R175-L193 HydrophobicContact CB-CD2 3.65Å; R175-L193 HydrophobicContact CG-CD2 3.96Å; L193-Y533 HydrophobicContact CD1-CD1 4.41Å; L193-Y533 HydrophobicContact CD1-CE1 3.56Å
194	Y	84.6	Confident	91.9	Very high	4 Å²	4	22 Å²	22	2%	0.016	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-141.1	153.1	-179.5	58.9	-94.6	0	0	0	110.6	F173 L174 T176 V188 K192 E198 V199	F173-Y194 WeakPolarHBondContact CA-O 3.5Å; L174-Y194 HydrophobicContact CB-CD2 3.86Å; L174-Y194 HydrophobicContact CB-CE1 4.23Å; L174-Y194 HydrophobicContact CB-CE2 3.41Å; L174-Y194 VanDerWaalsContact CB-CE2 3.41Å; L174-Y194 HydrophobicContact CB-CG 4.44Å; L174-Y194 HydrophobicContact CD1-CD2 4.49Å; L174-Y194 HydrophobicContact CD1-CE2 3.85Å; L174-Y194 HydrophobicContact CG-CE2 4.2Å; L174-Y194 PolarHBondContact N-O 2.93Å; L174-Y194 VanDerWaalsContact O-CD1 3.32Å; L174-Y194 WeakPolarHBondContact O-CD1 3.29Å; L174-Y194 WeakPolarHBondContact O-CE1 3.48Å; L174-Y194 PolarHBondContact O-N 2.8Å; T176-Y194 PolarHBondContact O-OH 3.38Å; V188-Y194 HydrophobicContact CG2-CD1 4.12Å; V188-Y194 HydrophobicContact CG2-CE1 3.92Å; K192-Y194 WeakPolarHBondContact O-CD1 3.41Å; Y194-E198 WeakPolarHBondContact CB-OE1 3.2Å; Y194-V199 HydrophobicContact CD2-CG2 3.56Å; Y194-V199 HydrophobicContact CE2-CG2 4.06Å; Y194-V199 HydrophobicContact CG-CG2 3.83Å
195	A	83.6	Confident	92.2	Very high	44 Å²	44	21.6 Å²	21.6	36%	0.364	13%	0.126	S	C	.	.			trans	-76.2	-41.6	178.7	0	0	0	0	0	110.7	E198	A195-E198 PolarHBondContact N-OE1 2.95Å
196	G	87.8	Confident	92.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	132.7	-56.1	172.2	0	0	0	0	0	114.3	V140 E198 V199 D200	V140-G196 VanDerWaalsContact CG1-O 3.32Å; V140-G196 WeakPolarHBondContact CG1-O 3.38Å; G196-E198 VanDerWaalsContact C-OE2 3.3Å; G196-E198 PolarHBondContact N-OE1 3.49Å; G196-E198 PolarHBondContact N-OE2 3.34Å; G196-E198 PolarHBondContact O-N 3.28Å; G196-V199 WeakPolarHBondContact O-CB 3.18Å; G196-V199 PolarHBondContact O-N 2.96Å; G196-D200 PolarHBondContact O-N 3.25Å
197	P	92.8	Very high	92.4	Very high	37 Å²	37	21.3 Å²	21.3	24%	0.24	12%	0.124	C	C	.	.	H	α-helix	trans	-54.8	-38.9	-175.7	-30.9	39.1	0	0	0	114.1	H135 V140 M168 V199 D200 V201	H135-P197 VanDerWaalsContact CE1-CA 3.46Å; H135-P197 WeakPolarHBondContact CE1-CA 3.26Å; V140-P197 HydrophobicContact CG2-CG 4.23Å; M168-P197 HydrophobicContact CE-CG 3.93Å; M168-P197 WeakPolarHBondContact SD-CD 3.18Å; M168-P197 HydrophobicContact SD-CG 3.31Å; M168-P197 WeakPolarHBondContact SD-CG 3.4Å; P197-V199 PolarHBondContact O-N 3.15Å; P197-D200 PolarHBondContact O-N 3.25Å; P197-V201 WeakPolarHBondContact O-CG2 3.21Å; P197-V201 PolarHBondContact O-N 3.28Å; P197-V201 VanDerWaalsContact O-N 3.07Å
198	E	94.9	Very high	92.6	Very high	35 Å²	35	20.9 Å²	20.9	16%	0.164	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-29.7	178.6	70.7	-80.7	-163.6	0	0	112.8	Y194 A195 G196 W202 P257 R260	Y194-E198 WeakPolarHBondContact CB-OE1 3.2Å; A195-E198 PolarHBondContact N-OE1 2.95Å; G196-E198 VanDerWaalsContact C-OE2 3.3Å; G196-E198 PolarHBondContact N-OE1 3.49Å; G196-E198 PolarHBondContact N-OE2 3.34Å; G196-E198 PolarHBondContact O-N 3.28Å; E198-W202 PolarHBondContact O-N 2.98Å; E198-W202 VanDerWaalsContact O-N 3.15Å; E198-P257 HydrophobicContact CB-CB 4.45Å; E198-P257 HydrophobicContact CG-CB 3.83Å; E198-R260 VanDerWaalsContact C-NH1 3.33Å; E198-R260 VanDerWaalsContact O-CD 3.31Å; E198-R260 WeakPolarHBondContact O-CD 3.48Å; E198-R260 PolarHBondContact O-NH1 3.37Å
199	V	94.8	Very high	92.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-71.5	-44.5	177.4	175.9	0	0	0	0	109.9	A185 E187 V188 Y194 G196 P197 V201 W202 S203	A185-V199 HydrophobicContact CB-CB 4.41Å; A185-V199 HydrophobicContact CB-CG1 4.11Å; A185-V199 HydrophobicContact CB-CG2 4.25Å; E187-V199 HydrophobicContact CG-CG2 4.33Å; V188-V199 HydrophobicContact CG2-CB 4.29Å; V188-V199 HydrophobicContact CG2-CG1 3.54Å; V188-V199 HydrophobicContact CG2-CG2 3.7Å; Y194-V199 HydrophobicContact CD2-CG2 3.56Å; Y194-V199 HydrophobicContact CE2-CG2 4.06Å; Y194-V199 HydrophobicContact CG-CG2 3.83Å; G196-V199 WeakPolarHBondContact O-CB 3.18Å; G196-V199 PolarHBondContact O-N 2.96Å; P197-V199 PolarHBondContact O-N 3.15Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.31Å; V199-W202 WeakPolarHBondContact O-CB 3.28Å; V199-W202 PolarHBondContact O-N 2.83Å; V199-S203 PolarHBondContact O-N 2.87Å; V199-S203 VanDerWaalsContact O-N 3.12Å; V199-S203 PolarHBondContact O-OG 3.4Å
200	D	96.6	Very high	93.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-37.9	175.1	-77.5	-10.6	0	0	0	111	V131 H135 V140 H141 R142 L144 G196 P197 W202 S203 C204	V131-D200 HydrophobicContact CG1-CB 4.15Å; H135-D200 IonicContact CD2-OD2 3.95Å; H135-D200 IonicContact CE1-OD2 3.7Å; H135-D200 IonicContact NE2-OD2 2.64Å; H135-D200 PolarHBondContact NE2-OD2 2.97Å; V140-D200 VanDerWaalsContact CG1-OD2 3.26Å; V140-D200 WeakPolarHBondContact CG1-OD2 3.42Å; H141-D200 PolarHBondContact N-OD1 2.73Å; H141-D200 PolarHBondContact N-OD2 3.1Å; R142-D200 PolarHBondContact N-OD1 3.28Å; L144-D200 HydrophobicContact CD1-CB 3.68Å; G196-D200 PolarHBondContact O-N 3.25Å; P197-D200 PolarHBondContact O-N 3.25Å; D200-W202 PolarHBondContact O-N 3.46Å; D200-S203 PolarHBondContact O-N 2.92Å; D200-C204 WeakPolarHBondContact O-CB 3.44Å; D200-C204 PolarHBondContact O-N 3.38Å; D200-C204 PolarHBondContact O-SG 3.39Å
201	V	98.3	Very high	93.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-42.2	175	173.1	0	0	0	0	112	P197 V199 S203 C204 G205 M252 R260 A261 I263 I266	P197-V201 WeakPolarHBondContact O-CG2 3.21Å; P197-V201 PolarHBondContact O-N 3.28Å; P197-V201 VanDerWaalsContact O-N 3.07Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.31Å; V201-S203 VanDerWaalsContact C-N 3.35Å; V201-S203 PolarHBondContact O-N 3.34Å; V201-C204 WeakPolarHBondContact O-CB 3.16Å; V201-C204 PolarHBondContact O-N 2.94Å; V201-G205 PolarHBondContact O-N 3.48Å; V201-M252 HydrophobicContact CG1-CB 4.23Å; V201-M252 HydrophobicContact CG1-CE 4.11Å; V201-M252 HydrophobicContact CG1-CG 4.13Å; V201-M252 WeakPolarHBondContact O-CE 3.34Å; V201-R260 HydrophobicContact CG1-CG 4.36Å; V201-A261 VanDerWaalsContact CG1-O 3.3Å; V201-A261 WeakPolarHBondContact CG1-O 3.45Å; V201-I263 HydrophobicContact CG2-CD1 3.87Å; V201-I263 HydrophobicContact CG2-CG1 4.04Å; V201-I266 HydrophobicContact CG1-CD1 3.78Å; V201-I266 HydrophobicContact CG2-CD1 4.32Å
202	W	98.2	Very high	94.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-49.9	175.1	175.9	-80.2	0	0	0	110.7	A184 A185 P186 E198 V199 D200 C204 G205 V206 F218 I230 I253 V255	A184-W202 PolarHBondContact O-NE1 2.92Å; A185-W202 HydrophobicContact CB-CB 3.81Å; A185-W202 HydrophobicContact CB-CD2 4.19Å; A185-W202 HydrophobicContact CB-CG 3.73Å; P186-W202 HydrophobicContact CG-CE3 4.25Å; P186-W202 HydrophobicContact CG-CH2 3.5Å; P186-W202 HydrophobicContact CG-CZ2 3.93Å; P186-W202 HydrophobicContact CG-CZ3 3.69Å; E198-W202 PolarHBondContact O-N 2.98Å; E198-W202 VanDerWaalsContact O-N 3.15Å; V199-W202 WeakPolarHBondContact O-CB 3.28Å; V199-W202 PolarHBondContact O-N 2.83Å; D200-W202 PolarHBondContact O-N 3.46Å; W202-C204 VanDerWaalsContact C-N 3.33Å; W202-C204 PolarHBondContact O-N 3.31Å; W202-G205 WeakPolarHBondContact O-CA 3.31Å; W202-G205 PolarHBondContact O-N 3.25Å; W202-V206 PolarHBondContact O-N 3.41Å; W202-F218 HydrophobicContact CH2-CE2 4Å; W202-F218 HydrophobicContact CH2-CZ 4.21Å; W202-F218 HydrophobicContact CZ2-CD2 4.19Å; W202-F218 AromaticContact CZ2-CE2 3.5Å; W202-F218 HydrophobicContact CZ2-CE2 3.5Å; W202-F218 HydrophobicContact CZ2-CZ 4.15Å; W202-I230 HydrophobicContact CZ2-CG2 3.94Å; W202-I253 HydrophobicContact CD2-CG2 4.38Å; W202-I253 HydrophobicContact CE3-CG2 4.1Å; W202-I253 HydrophobicContact CH2-CG2 3.52Å; W202-I253 HydrophobicContact CZ2-CG2 3.81Å; W202-I253 HydrophobicContact CZ3-CB 4.42Å; W202-I253 HydrophobicContact CZ3-CG2 3.68Å; W202-V255 HydrophobicContact CH2-CG2 4.48Å; W202-V255 HydrophobicContact CZ3-CG2 4.48Å
203	S	97.7	Very high	94.7	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-42.7	178.3	-55.7	0	0	0	0	111.9	L144 Y183 V199 D200 V201 G205 V206 I207	L144-S203 WeakPolarHBondContact O-CB 3.34Å; Y183-S203 PolarHBondContact O-OG 3.36Å; V199-S203 PolarHBondContact O-N 2.87Å; V199-S203 VanDerWaalsContact O-N 3.12Å; V199-S203 PolarHBondContact O-OG 3.4Å; D200-S203 PolarHBondContact O-N 2.92Å; V201-S203 VanDerWaalsContact C-N 3.35Å; V201-S203 PolarHBondContact O-N 3.34Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact O-N 3.04Å; S203-V206 PolarHBondContact O-N 3.29Å; S203-I207 WeakPolarHBondContact O-CD1 3.27Å; S203-I207 VanDerWaalsContact O-CG1 3.3Å; S203-I207 WeakPolarHBondContact O-CG1 3.47Å; S203-I207 PolarHBondContact O-N 2.77Å
204	C	98.5	Very high	95.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-38.1	172.4	-73.1	0	0	0	0	112.5	F124 I128 D200 V201 W202 I207 L208 M252	F124-C204 HydrophobicContact CE2-CB 4.14Å; F124-C204 WeakPolarHBondContact CE2-O 3.34Å; I128-C204 HydrophobicContact CD1-CB 4.01Å; D200-C204 WeakPolarHBondContact O-CB 3.44Å; D200-C204 PolarHBondContact O-N 3.38Å; D200-C204 PolarHBondContact O-SG 3.39Å; V201-C204 WeakPolarHBondContact O-CB 3.16Å; V201-C204 PolarHBondContact O-N 2.94Å; W202-C204 VanDerWaalsContact C-N 3.33Å; W202-C204 PolarHBondContact O-N 3.31Å; C204-I207 PolarHBondContact O-N 2.95Å; C204-L208 WeakPolarHBondContact O-CB 3.46Å; C204-L208 PolarHBondContact O-N 2.89Å; C204-M252 HydrophobicContact CB-CE 3.56Å
205	G	98.5	Very high	95.8	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-42.5	177.2	0	0	0	0	0	111.9	V201 W202 S203 L208 Y209 L249 M252	V201-G205 PolarHBondContact O-N 3.48Å; W202-G205 WeakPolarHBondContact O-CA 3.31Å; W202-G205 PolarHBondContact O-N 3.25Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact O-N 3.04Å; G205-L208 PolarHBondContact O-N 3.36Å; G205-Y209 PolarHBondContact O-N 2.98Å; G205-L249 WeakPolarHBondContact O-CD2 3.33Å; G205-M252 VanDerWaalsContact CA-CE 3.5Å
206	V	98.3	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-42.1	173.8	178.1	0	0	0	0	111.1	Y183 W202 S203 Y209 A210 L216 P217	Y183-V206 HydrophobicContact CD1-CB 3.98Å; Y183-V206 HydrophobicContact CD1-CG1 3.42Å; Y183-V206 VanDerWaalsContact CD1-CG1 3.42Å; Y183-V206 HydrophobicContact CE1-CG1 3.68Å; Y183-V206 HydrophobicContact CG-CG1 4.27Å; W202-V206 PolarHBondContact O-N 3.41Å; S203-V206 PolarHBondContact O-N 3.29Å; V206-Y209 WeakPolarHBondContact O-CB 3.47Å; V206-Y209 PolarHBondContact O-N 3.3Å; V206-A210 PolarHBondContact O-N 3.25Å; V206-L216 HydrophobicContact CG1-CD2 4.1Å; V206-P217 HydrophobicContact CB-CG 4.35Å; V206-P217 HydrophobicContact CG1-CG 3.97Å; V206-P217 HydrophobicContact CG2-CG 4.11Å
207	I	98.1	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.1	-68	158	0	0	0	111.2	I127 L144 P146 L149 Y183 S203 C204 Y209 A210 L211	I127-I207 HydrophobicContact CD1-CG2 3.94Å; L144-I207 HydrophobicContact CB-CD1 4.12Å; P146-I207 HydrophobicContact CG-CG1 4.32Å; L149-I207 HydrophobicContact CD1-CD1 3.98Å; L149-I207 HydrophobicContact CD1-CG2 4.11Å; Y183-I207 HydrophobicContact CD1-CG1 4.23Å; Y183-I207 HydrophobicContact CE1-CG1 4.22Å; S203-I207 WeakPolarHBondContact O-CD1 3.27Å; S203-I207 VanDerWaalsContact O-CG1 3.3Å; S203-I207 WeakPolarHBondContact O-CG1 3.47Å; S203-I207 PolarHBondContact O-N 2.77Å; C204-I207 PolarHBondContact O-N 2.95Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.4Å; I207-A210 WeakPolarHBondContact O-CB 3.43Å; I207-A210 PolarHBondContact O-N 3.39Å; I207-A210 VanDerWaalsContact O-N 3.14Å; I207-L211 HydrophobicContact CG2-CD1 4.17Å; I207-L211 WeakPolarHBondContact O-CG 3.36Å; I207-L211 PolarHBondContact O-N 3.27Å
208	L	98.5	Very high	97	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-42.4	176.5	179.7	57.7	0	0	0	111.5	F124 C204 G205 A210 L211 L212 V245 L248 L249 M252 W271	F124-L208 HydrophobicContact CB-CD1 4.02Å; F124-L208 HydrophobicContact CD1-CD1 4.37Å; F124-L208 HydrophobicContact CD1-CD2 4.2Å; F124-L208 HydrophobicContact CD2-CB 3.74Å; F124-L208 HydrophobicContact CD2-CD1 4Å; F124-L208 HydrophobicContact CD2-CD2 4.27Å; F124-L208 HydrophobicContact CD2-CG 4.2Å; F124-L208 HydrophobicContact CE1-CD2 4.03Å; F124-L208 HydrophobicContact CE2-CB 3.74Å; F124-L208 HydrophobicContact CE2-CD2 4.11Å; F124-L208 HydrophobicContact CE2-CG 4.36Å; F124-L208 HydrophobicContact CG-CB 4.44Å; F124-L208 HydrophobicContact CG-CD1 3.86Å; F124-L208 HydrophobicContact CG-CD2 4.31Å; F124-L208 HydrophobicContact CG-CG 4.42Å; F124-L208 HydrophobicContact CZ-CB 4.43Å; F124-L208 HydrophobicContact CZ-CD2 3.99Å; C204-L208 WeakPolarHBondContact O-CB 3.46Å; C204-L208 PolarHBondContact O-N 2.89Å; G205-L208 PolarHBondContact O-N 3.36Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 2.95Å; L208-L211 PolarHBondContact O-N 3.29Å; L208-L212 HydrophobicContact CD1-CD1 3.78Å; L208-L212 HydrophobicContact CD1-CG 4.18Å; L208-L212 HydrophobicContact CG-CD1 3.83Å; L208-L212 WeakPolarHBondContact O-CD1 3.19Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.39Å; L208-L212 PolarHBondContact O-N 2.89Å; L208-L212 VanDerWaalsContact O-N 3.15Å; L208-V245 HydrophobicContact CD2-CG2 4.38Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å; L208-L248 HydrophobicContact CD2-CG 4.42Å; L208-L249 HydrophobicContact CB-CD2 4.09Å; L208-L249 HydrophobicContact CD2-CD2 4.01Å; L208-L249 HydrophobicContact CD2-CG 4.37Å; L208-L249 HydrophobicContact CG-CD2 4Å; L208-M252 HydrophobicContact CD2-SD 4.49Å; L208-W271 HydrophobicContact CD1-CH2 3.79Å; L208-W271 HydrophobicContact CD1-CZ3 4.18Å; L208-W271 HydrophobicContact CD2-CZ3 4.27Å
209	Y	98.2	Very high	97	Very high	14 Å²	14	16 Å²	16	6%	0.055	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-46	174	-176.1	-80	0	0	0	111.2	G205 V206 I207 L211 L212 C213 T215 L216 P217 F235 H236 L237 L249	G205-Y209 PolarHBondContact O-N 2.98Å; V206-Y209 WeakPolarHBondContact O-CB 3.47Å; V206-Y209 PolarHBondContact O-N 3.3Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.4Å; Y209-L211 PolarHBondContact O-N 3.08Å; Y209-L212 PolarHBondContact O-N 2.78Å; Y209-C213 HydrophobicContact CD1-CB 4.01Å; Y209-C213 HydrophobicContact CE1-CB 3.64Å; Y209-C213 VanDerWaalsContact O-CB 3.29Å; Y209-C213 WeakPolarHBondContact O-CB 3.41Å; Y209-C213 PolarHBondContact O-N 3.32Å; Y209-T215 WeakPolarHBondContact CD1-O 3.45Å; Y209-T215 VanDerWaalsContact CE1-O 3.23Å; Y209-T215 WeakPolarHBondContact CE1-O 3.48Å; Y209-L216 VanDerWaalsContact CE1-C 3.48Å; Y209-P217 HydrophobicContact CD1-CB 3.82Å; Y209-P217 VanDerWaalsContact CD1-CD 3.42Å; Y209-P217 HydrophobicContact CD1-CG 4.02Å; Y209-P217 HydrophobicContact CD2-CB 3.97Å; Y209-P217 HydrophobicContact CE1-CB 3.96Å; Y209-P217 HydrophobicContact CE2-CB 4.11Å; Y209-P217 HydrophobicContact CG-CB 3.82Å; Y209-P217 HydrophobicContact CG-CG 4.06Å; Y209-F235 HydrophobicContact CD2-CD2 4.08Å; Y209-F235 HydrophobicContact CD2-CE2 4.33Å; Y209-F235 AromaticContact CE2-CD2 3.95Å; Y209-F235 HydrophobicContact CE2-CD2 3.95Å; Y209-H236 VanDerWaalsContact CE2-O 3.29Å; Y209-H236 WeakPolarHBondContact CE2-O 3.4Å; Y209-H236 PolarHBondContact OH-O 3.17Å; Y209-H236 VanDerWaalsContact OH-O 3.1Å; Y209-L237 HydrophobicContact CD2-CD2 4.49Å; Y209-L237 HydrophobicContact CE2-CD2 4.41Å; Y209-L249 HydrophobicContact CD2-CD1 4.35Å
210	A	97.2	Very high	97	Very high	5 Å²	5	18 Å²	18	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-41.2	179.1	0	0	0	0	0	112.6	I109 V206 I207 L208 L212 G214 T215	I109-A210 HydrophobicContact CD1-CB 4.43Å; V206-A210 PolarHBondContact O-N 3.25Å; I207-A210 WeakPolarHBondContact O-CB 3.43Å; I207-A210 PolarHBondContact O-N 3.39Å; I207-A210 VanDerWaalsContact O-N 3.14Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 2.95Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 2.94Å; A210-G214 VanDerWaalsContact O-CA 3.24Å; A210-G214 WeakPolarHBondContact O-CA 3.25Å; A210-G214 PolarHBondContact O-N 3.46Å; A210-T215 WeakPolarHBondContact CA-O 3.35Å
211	L	97.5	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-40.4	175.4	-70.4	166.2	0	0	0	112.4	L105 I109 L115 A120 F123 I207 L208 Y209	L105-L211 HydrophobicContact CD1-CD2 4.06Å; L105-L211 HydrophobicContact CD2-CD2 4.28Å; L105-L211 HydrophobicContact CG-CD2 4.37Å; I109-L211 HydrophobicContact CD1-CD2 3.79Å; I109-L211 HydrophobicContact CD1-CG 4.26Å; I109-L211 HydrophobicContact CG1-CD2 3.8Å; L115-L211 WeakPolarHBondContact CB-O 3.18Å; L115-L211 HydrophobicContact CD1-CB 4.36Å; L115-L211 HydrophobicContact CD1-CD2 3.63Å; L115-L211 PolarHBondContact N-O 3.2Å; A120-L211 HydrophobicContact CB-CB 4.05Å; F123-L211 HydrophobicContact CB-CD1 4.21Å; I207-L211 HydrophobicContact CG2-CD1 4.17Å; I207-L211 WeakPolarHBondContact O-CG 3.36Å; I207-L211 PolarHBondContact O-N 3.27Å; L208-L211 PolarHBondContact O-N 3.29Å; Y209-L211 PolarHBondContact O-N 3.08Å
212	L	97.5	Very high	96.6	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-83.9	-34.1	-174.8	-68	166	0	0	0	113.5	R114 E117 A120 L208 Y209 A210 L241 V245 L249	R114-L212 WeakPolarHBondContact CB-O 3.4Å; E117-L212 HydrophobicContact CB-CD2 4.5Å; E117-L212 HydrophobicContact CG-CD2 3.94Å; A120-L212 HydrophobicContact CB-CD2 3.57Å; A120-L212 HydrophobicContact CB-CG 4.08Å; L208-L212 HydrophobicContact CD1-CD1 3.78Å; L208-L212 HydrophobicContact CD1-CG 4.18Å; L208-L212 HydrophobicContact CG-CD1 3.83Å; L208-L212 WeakPolarHBondContact O-CD1 3.19Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.39Å; L208-L212 PolarHBondContact O-N 2.89Å; L208-L212 VanDerWaalsContact O-N 3.15Å; Y209-L212 PolarHBondContact O-N 2.78Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 2.94Å; L212-L241 HydrophobicContact CB-CD2 4.09Å; L212-L241 HydrophobicContact CD2-CD2 4.44Å; L212-V245 HydrophobicContact CD1-CG1 4.48Å; L212-V245 HydrophobicContact CD1-CG2 3.37Å; L212-L249 HydrophobicContact CD1-CD1 4.2Å
213	C	96	Very high	96.2	Very high	26 Å²	26	36.3 Å²	36.3	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-107.2	-15	-172.2	-63.6	0	0	0	0	113.2	Y209 T215	Y209-C213 HydrophobicContact CD1-CB 4.01Å; Y209-C213 HydrophobicContact CE1-CB 3.64Å; Y209-C213 VanDerWaalsContact O-CB 3.29Å; Y209-C213 WeakPolarHBondContact O-CB 3.41Å; Y209-C213 PolarHBondContact O-N 3.32Å; C213-T215 PolarHBondContact O-N 2.97Å; C213-T215 PolarHBondContact O-OG1 3.43Å
214	G	94.8	Very high	96	Very high	34 Å²	34	39.4 Å²	39.4	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	65.4	10.8	-173.3	0	0	0	0	0	114.2	A210	A210-G214 VanDerWaalsContact O-CA 3.24Å; A210-G214 WeakPolarHBondContact O-CA 3.25Å; A210-G214 PolarHBondContact O-N 3.46Å
215	T	94.5	Very high	95.9	Very high	84 Å²	84	41.6 Å²	41.6	52%	0.515	23%	0.23	S	C	.	.	S	Bend	trans	-142.8	166.1	-176.3	52.8	0	0	0	0	109.8	Y209 A210 C213	Y209-T215 WeakPolarHBondContact CD1-O 3.45Å; Y209-T215 VanDerWaalsContact CE1-O 3.23Å; Y209-T215 WeakPolarHBondContact CE1-O 3.48Å; A210-T215 WeakPolarHBondContact CA-O 3.35Å; C213-T215 PolarHBondContact O-N 2.97Å; C213-T215 PolarHBondContact O-OG1 3.43Å
216	L	95.6	Very high	95.8	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.241	23%	0.23	C	C	.	.			trans	-87	146.2	177.7	-67.1	170.5	0	0	0	111.6	N182 Y183 V206 Y209 F218 D219	N182-L216 HydrophobicContact CB-CD1 3.92Å; Y183-L216 HydrophobicContact CE1-CD2 3.98Å; V206-L216 HydrophobicContact CG1-CD2 4.1Å; Y209-L216 VanDerWaalsContact CE1-C 3.48Å; L216-F218 VanDerWaalsContact C-N 3.31Å; L216-D219 HydrophobicContact CB-CB 4.23Å
217	P	97.1	Very high	95.7	Very high	15 Å²	15	44.7 Å²	44.7	10%	0.097	24%	0.243	C	C	.	.	S	Bend	trans	-71.2	-29.2	177.2	28	-31.4	0	0	0	112.1	V206 Y209 F235	V206-P217 HydrophobicContact CB-CG 4.35Å; V206-P217 HydrophobicContact CG1-CG 3.97Å; V206-P217 HydrophobicContact CG2-CG 4.11Å; Y209-P217 HydrophobicContact CD1-CB 3.82Å; Y209-P217 VanDerWaalsContact CD1-CD 3.42Å; Y209-P217 HydrophobicContact CD1-CG 4.02Å; Y209-P217 HydrophobicContact CD2-CB 3.97Å; Y209-P217 HydrophobicContact CE1-CB 3.96Å; Y209-P217 HydrophobicContact CE2-CB 4.11Å; Y209-P217 HydrophobicContact CG-CB 3.82Å; Y209-P217 HydrophobicContact CG-CG 4.06Å; P217-F235 HydrophobicContact CB-CB 3.83Å; P217-F235 HydrophobicContact CB-CD2 4.21Å; P217-F235 HydrophobicContact CB-CG 4.17Å
218	F	97.1	Very high	95.6	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.013	28%	0.275	C	S	.	.	S	Bend	trans	-130.4	115.2	175.2	-45.6	-73.3	0	0	0	108.8	N182 W202 L216 L226 K229 I230 Y234 F235 I253	N182-F218 PolarHBondContact ND2-O 2.93Å; N182-F218 VanDerWaalsContact ND2-O 3.12Å; W202-F218 HydrophobicContact CH2-CE2 4Å; W202-F218 HydrophobicContact CH2-CZ 4.21Å; W202-F218 HydrophobicContact CZ2-CD2 4.19Å; W202-F218 AromaticContact CZ2-CE2 3.5Å; W202-F218 HydrophobicContact CZ2-CE2 3.5Å; W202-F218 HydrophobicContact CZ2-CZ 4.15Å; L216-F218 VanDerWaalsContact C-N 3.31Å; F218-L226 HydrophobicContact CB-CD1 4.06Å; F218-K229 HydrophobicContact CD1-CB 4.27Å; F218-I230 HydrophobicContact CB-CG1 3.78Å; F218-I230 HydrophobicContact CD2-CG1 4.16Å; F218-I230 HydrophobicContact CG-CG1 3.97Å; F218-Y234 WeakPolarHBondContact CE1-O 3.4Å; F218-F235 HydrophobicContact CD1-CB 4.48Å; F218-F235 HydrophobicContact CE1-CB 3.85Å; F218-F235 HydrophobicContact CE1-CD1 4.33Å; F218-F235 HydrophobicContact CZ-CB 4.04Å; F218-F235 AromaticContact CZ-CD1 3.86Å; F218-F235 HydrophobicContact CZ-CD1 3.86Å; F218-F235 HydrophobicContact CZ-CG 4.28Å; F218-I253 HydrophobicContact CE2-CG2 3.62Å; F218-I253 HydrophobicContact CZ-CG2 3.75Å
219	D	94.2	Very high	95.5	Very high	94 Å²	94	55.7 Å²	55.7	50%	0.503	29%	0.292	S	S	.	.			trans	-146.3	143.8	175.5	-165.7	32.2	0	0	0	110.8	N182 L216 K229	N182-D219 PolarHBondContact ND2-OD1 2.97Å; N182-D219 VanDerWaalsContact ND2-OD1 3.08Å; L216-D219 HydrophobicContact CB-CB 4.23Å; D219-K229 PolarHBondContact O-NZ 2.9Å
220	D	94.4	Very high	95.4	Very high	43 Å²	43	55 Å²	55	23%	0.23	29%	0.289	C	S	.	.			trans	-169	136.1	176.5	-152.7	-78.8	0	0	0	109.5	H222 T225 L226 K229	D220-H222 PolarHBondContact O-N 2.75Å; D220-H222 WeakPolarHBondContact OD1-CB 3.4Å; D220-H222 PolarHBondContact OD1-N 2.91Å; D220-T225 HydrophobicContact CB-CG2 4.42Å; D220-T225 WeakPolarHBondContact OD2-CG2 3.13Å; D220-L226 HydrophobicContact CB-CB 3.95Å; D220-K229 HydrophobicContact CB-CD 4.36Å; D220-K229 WeakPolarHBondContact OD2-CE 3.32Å; D220-K229 IonicContact OD2-NZ 2.93Å; D220-K229 PolarHBondContact OD2-NZ 2.59Å
221	E	93.2	Very high	95.4	Very high	200 Å²	200	59.4 Å²	59.4	94%	0.935	31%	0.307	S	S	*	.	S	Bend	trans	-63.7	-30.4	174.3	-63.7	-176.8	171.9	0	0	111.8	I223	E221-I223 PolarHBondContact O-N 3.07Å
222	H	93.5	Very high	95.4	Very high	109 Å²	109	61.8 Å²	61.8	51%	0.505	33%	0.326	S	S	.	.	S	Bend	trans	-91	103.7	178.3	-167.6	57.8	0	0	0	111.1	D220 P224 T225 L226	D220-H222 PolarHBondContact O-N 2.75Å; D220-H222 WeakPolarHBondContact OD1-CB 3.4Å; D220-H222 PolarHBondContact OD1-N 2.91Å; H222-P224 WeakPolarHBondContact NE2-CD 3.16Å; H222-P224 WeakPolarHBondContact NE2-CG 3.35Å; H222-T225 PolarHBondContact CD2-OG1 2.82Å; H222-T225 WeakPolarHBondContact O-CA 3.02Å; H222-T225 WeakPolarHBondContact O-CB 3.33Å; H222-T225 PolarHBondContact O-N 3.14Å; H222-L226 PolarHBondContact O-N 3.35Å
223	I	90.7	Very high	95.2	Very high	79 Å²	79	62 Å²	62	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-49.2	-43.7	-176.5	-57.8	-60.5	0	0	0	114.5	E221 T225 L226 F227	E221-I223 PolarHBondContact O-N 3.07Å; I223-T225 VanDerWaalsContact C-N 3.29Å; I223-T225 PolarHBondContact O-N 3.29Å; I223-L226 HydrophobicContact CD1-CD2 4.25Å; I223-L226 WeakPolarHBondContact O-CB 3.31Å; I223-L226 PolarHBondContact O-N 2.84Å; I223-F227 HydrophobicContact CG2-CD1 4.29Å; I223-F227 HydrophobicContact CG2-CD2 4.28Å; I223-F227 HydrophobicContact CG2-CE1 3.95Å; I223-F227 HydrophobicContact CG2-CE2 3.92Å; I223-F227 HydrophobicContact CG2-CG 4.46Å; I223-F227 HydrophobicContact CG2-CZ 3.75Å; I223-F227 WeakPolarHBondContact O-CG 3.45Å; I223-F227 PolarHBondContact O-N 3.03Å
224	P	93.3	Very high	95.2	Very high	67 Å²	67	70.5 Å²	70.5	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-35.3	174.2	-26.8	36.5	0	0	0	114.2	H222 K228	H222-P224 WeakPolarHBondContact NE2-CD 3.16Å; H222-P224 WeakPolarHBondContact NE2-CG 3.35Å; P224-K228 WeakPolarHBondContact O-CG 3.11Å; P224-K228 PolarHBondContact O-N 2.77Å; P224-K228 VanDerWaalsContact O-N 3.1Å
225	T	95.8	Very high	95.2	Very high	47 Å²	47	70.7 Å²	70.7	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-72.4	-42	174.9	-59.6	0	0	0	0	110.8	D220 H222 I223 F227 K228 K229	D220-T225 HydrophobicContact CB-CG2 4.42Å; D220-T225 WeakPolarHBondContact OD2-CG2 3.13Å; H222-T225 PolarHBondContact CD2-OG1 2.82Å; H222-T225 WeakPolarHBondContact O-CA 3.02Å; H222-T225 WeakPolarHBondContact O-CB 3.33Å; H222-T225 PolarHBondContact O-N 3.14Å; I223-T225 VanDerWaalsContact C-N 3.29Å; I223-T225 PolarHBondContact O-N 3.29Å; T225-F227 VanDerWaalsContact C-N 3.31Å; T225-F227 PolarHBondContact O-N 3.09Å; T225-K228 WeakPolarHBondContact O-CB 3.45Å; T225-K228 PolarHBondContact O-N 2.87Å; T225-K228 VanDerWaalsContact O-N 3.09Å; T225-K229 PolarHBondContact O-N 3.41Å
226	L	96	Very high	95.3	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-54.3	-48.4	171.5	176.2	58.9	0	0	0	111	P181 F218 D220 H222 I223 K228 K229 I230	P181-L226 HydrophobicContact CB-CD2 3.82Å; F218-L226 HydrophobicContact CB-CD1 4.06Å; D220-L226 HydrophobicContact CB-CB 3.95Å; H222-L226 PolarHBondContact O-N 3.35Å; I223-L226 HydrophobicContact CD1-CD2 4.25Å; I223-L226 WeakPolarHBondContact O-CB 3.31Å; I223-L226 PolarHBondContact O-N 2.84Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.31Å; L226-K229 WeakPolarHBondContact O-CB 3.49Å; L226-K229 PolarHBondContact O-N 2.77Å; L226-K229 VanDerWaalsContact O-N 3.14Å; L226-I230 HydrophobicContact CD1-CD1 3.85Å; L226-I230 HydrophobicContact CD1-CG1 4.15Å; L226-I230 HydrophobicContact CG-CD1 3.81Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 2.69Å
227	F	95.7	Very high	95.3	Very high	63 Å²	63	71.6 Å²	71.6	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-35.8	177	-73.9	-4	0	0	0	113	P181 I189 I223 T225 I230 K231	P181-F227 HydrophobicContact CB-CE1 4.06Å; I189-F227 HydrophobicContact CB-CD1 4.16Å; I189-F227 HydrophobicContact CB-CE1 4.05Å; I189-F227 HydrophobicContact CB-CZ 4.34Å; I189-F227 HydrophobicContact CD1-CB 4.04Å; I189-F227 HydrophobicContact CD1-CD1 3.81Å; I189-F227 HydrophobicContact CD1-CG 4.03Å; I189-F227 HydrophobicContact CG2-CD1 4.19Å; I189-F227 HydrophobicContact CG2-CE1 3.81Å; I189-F227 HydrophobicContact CG2-CZ 4.35Å; I223-F227 HydrophobicContact CG2-CD1 4.29Å; I223-F227 HydrophobicContact CG2-CD2 4.28Å; I223-F227 HydrophobicContact CG2-CE1 3.95Å; I223-F227 HydrophobicContact CG2-CE2 3.92Å; I223-F227 HydrophobicContact CG2-CG 4.46Å; I223-F227 HydrophobicContact CG2-CZ 3.75Å; I223-F227 WeakPolarHBondContact O-CG 3.45Å; I223-F227 PolarHBondContact O-N 3.03Å; T225-F227 VanDerWaalsContact C-N 3.31Å; T225-F227 PolarHBondContact O-N 3.09Å; F227-I230 HydrophobicContact CD1-CD1 4.48Å; F227-K231 WeakPolarHBondContact O-CB 3.29Å; F227-K231 WeakPolarHBondContact O-CG 3.39Å; F227-K231 PolarHBondContact O-N 3.02Å
228	K	96.4	Very high	95.1	Very high	151 Å²	151	72.3 Å²	72.3	66%	0.657	35%	0.354	S	S	*	.	H	α-helix	trans	-64.8	-43.9	172.9	-74.1	173.3	-177.5	176.3	0	111.5	P224 T225 L226 K231 A232	P224-K228 WeakPolarHBondContact O-CG 3.11Å; P224-K228 PolarHBondContact O-N 2.77Å; P224-K228 VanDerWaalsContact O-N 3.1Å; T225-K228 WeakPolarHBondContact O-CB 3.45Å; T225-K228 PolarHBondContact O-N 2.87Å; T225-K228 VanDerWaalsContact O-N 3.09Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.31Å; K228-K231 PolarHBondContact O-N 2.96Å; K228-A232 WeakPolarHBondContact O-CB 3.4Å; K228-A232 PolarHBondContact O-N 3.49Å
229	K	97	Very high	94.9	Very high	81 Å²	81	80.7 Å²	80.7	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-49.6	176.7	-72.8	171.7	167.8	172	0	111.5	F218 D219 D220 T225 L226 K231 A232 G233	F218-K229 HydrophobicContact CD1-CB 4.27Å; D219-K229 PolarHBondContact O-NZ 2.9Å; D220-K229 HydrophobicContact CB-CD 4.36Å; D220-K229 WeakPolarHBondContact OD2-CE 3.32Å; D220-K229 IonicContact OD2-NZ 2.93Å; D220-K229 PolarHBondContact OD2-NZ 2.59Å; T225-K229 PolarHBondContact O-N 3.41Å; L226-K229 WeakPolarHBondContact O-CB 3.49Å; L226-K229 PolarHBondContact O-N 2.77Å; L226-K229 VanDerWaalsContact O-N 3.14Å; K229-K231 PolarHBondContact O-N 3.45Å; K229-A232 PolarHBondContact O-N 3.34Å; K229-G233 PolarHBondContact O-N 3.37Å
230	I	96.7	Very high	94.9	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-47.1	178.3	-65.9	166.6	0	0	0	110.9	P181 P186 I189 W202 F218 L226 F227 A232 G233	P181-I230 WeakPolarHBondContact O-CD1 3.43Å; P186-I230 HydrophobicContact CB-CG2 4.47Å; P186-I230 HydrophobicContact CG-CG2 4.02Å; I189-I230 HydrophobicContact CD1-CB 3.67Å; I189-I230 HydrophobicContact CD1-CD1 4.19Å; I189-I230 HydrophobicContact CD1-CG2 3.47Å; I189-I230 VanDerWaalsContact CD1-CG2 3.47Å; I189-I230 HydrophobicContact CG1-CG2 4.3Å; W202-I230 HydrophobicContact CZ2-CG2 3.94Å; F218-I230 HydrophobicContact CB-CG1 3.78Å; F218-I230 HydrophobicContact CD2-CG1 4.16Å; F218-I230 HydrophobicContact CG-CG1 3.97Å; L226-I230 HydrophobicContact CD1-CD1 3.85Å; L226-I230 HydrophobicContact CD1-CG1 4.15Å; L226-I230 HydrophobicContact CG-CD1 3.81Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 2.69Å; F227-I230 HydrophobicContact CD1-CD1 4.48Å; I230-A232 VanDerWaalsContact C-N 3.28Å; I230-A232 PolarHBondContact O-N 3.33Å; I230-G233 PolarHBondContact O-N 3.33Å
231	K	96.1	Very high	94.9	Very high	96 Å²	96	81 Å²	81	42%	0.417	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-30.5	179.1	-71.6	175.5	-167.1	-169.2	0	113.2	I189 S190 F227 K228 K229	I189-K231 HydrophobicContact CD1-CG 3.92Å; I189-K231 HydrophobicContact CG1-CG 4.47Å; S190-K231 WeakPolarHBondContact OG-CE 3.42Å; F227-K231 WeakPolarHBondContact O-CB 3.29Å; F227-K231 WeakPolarHBondContact O-CG 3.39Å; F227-K231 PolarHBondContact O-N 3.02Å; K228-K231 PolarHBondContact O-N 2.96Å; K229-K231 PolarHBondContact O-N 3.45Å
232	A	96.7	Very high	95.1	Very high	50 Å²	50	73.4 Å²	73.4	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-75.1	-32.3	175.6	0	0	0	0	0	112.2	K228 K229 I230 Y234	K228-A232 WeakPolarHBondContact O-CB 3.4Å; K228-A232 PolarHBondContact O-N 3.49Å; K229-A232 PolarHBondContact O-N 3.34Å; I230-A232 VanDerWaalsContact C-N 3.28Å; I230-A232 PolarHBondContact O-N 3.33Å; A232-Y234 HydrophobicContact CB-CD2 3.81Å; A232-Y234 HydrophobicContact CB-CE2 4.24Å; A232-Y234 PolarHBondContact O-N 3.3Å
233	G	94.9	Very high	95.3	Very high	13 Å²	13	73.3 Å²	73.3	13%	0.134	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.1	177.4	0	0	0	0	0	114.8	K229 I230 F235 V255	K229-G233 PolarHBondContact O-N 3.37Å; I230-G233 PolarHBondContact O-N 3.33Å; G233-F235 WeakPolarHBondContact O-CD1 3.45Å; G233-V255 VanDerWaalsContact CA-CG2 3.49Å
234	Y	94.4	Very high	95.6	Very high	204 Å²	204	70.6 Å²	70.6	80%	0.8	37%	0.372	S	S	*	.			trans	-88.5	117.7	175.3	-61.7	-59.1	0	0	0	110.3	F218 A232	F218-Y234 WeakPolarHBondContact CE1-O 3.4Å; A232-Y234 HydrophobicContact CB-CD2 3.81Å; A232-Y234 HydrophobicContact CB-CE2 4.24Å; A232-Y234 PolarHBondContact O-N 3.3Å
235	F	96.2	Very high	95.8	Very high	38 Å²	38	67.4 Å²	67.4	17%	0.167	35%	0.351	C	S	.	.			trans	-133.8	150	175.4	62.5	-79	0	0	0	110.2	Y209 P217 F218 G233 L237 L249 I253	Y209-F235 HydrophobicContact CD2-CD2 4.08Å; Y209-F235 HydrophobicContact CD2-CE2 4.33Å; Y209-F235 AromaticContact CE2-CD2 3.95Å; Y209-F235 HydrophobicContact CE2-CD2 3.95Å; P217-F235 HydrophobicContact CB-CB 3.83Å; P217-F235 HydrophobicContact CB-CD2 4.21Å; P217-F235 HydrophobicContact CB-CG 4.17Å; F218-F235 HydrophobicContact CD1-CB 4.48Å; F218-F235 HydrophobicContact CE1-CB 3.85Å; F218-F235 HydrophobicContact CE1-CD1 4.33Å; F218-F235 HydrophobicContact CZ-CB 4.04Å; F218-F235 AromaticContact CZ-CD1 3.86Å; F218-F235 HydrophobicContact CZ-CD1 3.86Å; F218-F235 HydrophobicContact CZ-CG 4.28Å; G233-F235 WeakPolarHBondContact O-CD1 3.45Å; F235-L237 HydrophobicContact CD2-CD2 4.19Å; F235-L237 HydrophobicContact CD2-CG 4.08Å; F235-L237 HydrophobicContact CE2-CD1 4.03Å; F235-L237 HydrophobicContact CE2-CD2 3.63Å; F235-L237 HydrophobicContact CE2-CG 3.66Å; F235-L237 HydrophobicContact CZ-CD1 4.41Å; F235-L237 HydrophobicContact CZ-CG 4.49Å; F235-L249 HydrophobicContact CE2-CB 4.34Å; F235-L249 HydrophobicContact CZ-CB 4.42Å; F235-I253 HydrophobicContact CD1-CG2 4.1Å; F235-I253 HydrophobicContact CE1-CB 3.78Å; F235-I253 HydrophobicContact CE1-CD1 4.31Å; F235-I253 HydrophobicContact CE1-CG2 3.8Å; F235-I253 HydrophobicContact CE2-CD1 4.1Å; F235-I253 HydrophobicContact CZ-CB 4Å; F235-I253 HydrophobicContact CZ-CD1 3.95Å; F235-I253 HydrophobicContact CZ-CG1 4.44Å; F235-I253 HydrophobicContact CZ-CG2 4.42Å
236	H	95.8	Very high	95.9	Very high	135 Å²	135	68.2 Å²	68.2	63%	0.625	35%	0.349	S	S	*	.			trans	-81.1	130.6	-178.8	174.4	-91.3	0	0	0	110.5	Y209	Y209-H236 VanDerWaalsContact CE2-O 3.29Å; Y209-H236 WeakPolarHBondContact CE2-O 3.4Å; Y209-H236 PolarHBondContact OH-O 3.17Å; Y209-H236 VanDerWaalsContact OH-O 3.1Å
237	L	95.3	Very high	96	Very high	14 Å²	14	70.8 Å²	70.8	7%	0.073	36%	0.362	C	S	.	.			trans	-112	107.9	174.2	-79	171.3	0	0	0	109.4	Y209 F235 L241 R246 L249 R250	Y209-L237 HydrophobicContact CD2-CD2 4.49Å; Y209-L237 HydrophobicContact CE2-CD2 4.41Å; F235-L237 HydrophobicContact CD2-CD2 4.19Å; F235-L237 HydrophobicContact CD2-CG 4.08Å; F235-L237 HydrophobicContact CE2-CD1 4.03Å; F235-L237 HydrophobicContact CE2-CD2 3.63Å; F235-L237 HydrophobicContact CE2-CG 3.66Å; F235-L237 HydrophobicContact CZ-CD1 4.41Å; F235-L237 HydrophobicContact CZ-CG 4.49Å; L237-L241 HydrophobicContact CD2-CD1 4.23Å; L237-R246 HydrophobicContact CB-CG 4.33Å; L237-R246 HydrophobicContact CD1-CB 4.09Å; L237-R246 HydrophobicContact CD1-CG 4.27Å; L237-R246 HydrophobicContact CD2-CG 4.39Å; L237-R246 PolarHBondContact O-NH2 3.47Å; L237-R246 VanDerWaalsContact O-NH2 3.08Å; L237-L249 HydrophobicContact CD2-CB 4.28Å; L237-L249 HydrophobicContact CD2-CD1 3.62Å; L237-R250 HydrophobicContact CD1-CG 3.97Å
238	P	94.3	Very high	96.1	Very high	31 Å²	31	67.8 Å²	67.8	20%	0.201	35%	0.349	C	S	.	.			trans	-53.5	143.2	178.3	-25.8	33.7	0	0	0	113	T240 L241	P238-T240 PolarHBondContact O-N 2.67Å; P238-L241 HydrophobicContact CB-CG 4.46Å; P238-L241 PolarHBondContact O-N 2.95Å
239	E	92.9	Very high	96.2	Very high	178 Å²	178	60.6 Å²	60.6	83%	0.832	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	177.6	-65	-175.3	170.8	0	0	113.2	L241	E239-L241 PolarHBondContact O-N 3.28Å
240	T	92.9	Very high	96.2	Very high	126 Å²	126	62.2 Å²	62.2	77%	0.773	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.9	175.6	56.8	0	0	0	0	113.5	P238	P238-T240 PolarHBondContact O-N 2.67Å
241	L	95.7	Very high	96.3	Very high	17 Å²	17	68.2 Å²	68.2	9%	0.089	35%	0.345	C	S	.	.	S	Bend	trans	-84	139.7	177.8	-63	-179.7	0	0	0	111.1	L212 L237 P238 E239 V245 R246 L249	L212-L241 HydrophobicContact CB-CD2 4.09Å; L212-L241 HydrophobicContact CD2-CD2 4.44Å; L237-L241 HydrophobicContact CD2-CD1 4.23Å; P238-L241 HydrophobicContact CB-CG 4.46Å; P238-L241 PolarHBondContact O-N 2.95Å; E239-L241 PolarHBondContact O-N 3.28Å; L241-V245 HydrophobicContact CB-CG1 3.73Å; L241-V245 HydrophobicContact CD1-CG1 4.47Å; L241-V245 HydrophobicContact CD2-CG1 4.36Å; L241-V245 HydrophobicContact CG-CG1 4.41Å; L241-R246 HydrophobicContact CB-CG 3.82Å; L241-R246 WeakPolarHBondContact O-CD 3.41Å; L241-L249 HydrophobicContact CD1-CD1 4.49Å
242	S	96.6	Very high	96.4	Very high	42 Å²	42	63.6 Å²	63.6	29%	0.294	33%	0.325	S	S	.	.			trans	-58.2	151	176.9	72.1	0	0	0	0	112.2	E117 G244 V245 R246	E117-S242 VanDerWaalsContact CD-OG 3.31Å; E117-S242 VanDerWaalsContact OE1-CB 3.24Å; E117-S242 WeakPolarHBondContact OE1-CB 3.28Å; E117-S242 PolarHBondContact OE1-N 3.02Å; E117-S242 PolarHBondContact OE1-OG 3.26Å; E117-S242 WeakPolarHBondContact OE2-CB 3.24Å; E117-S242 PolarHBondContact OE2-OG 2.68Å; S242-G244 PolarHBondContact O-N 3.4Å; S242-V245 WeakPolarHBondContact O-CG1 3.37Å; S242-V245 PolarHBondContact O-N 3.09Å; S242-V245 PolarHBondContact OG-N 2.88Å; S242-R246 VanDerWaalsContact O-CG 3.32Å; S242-R246 WeakPolarHBondContact O-CG 3.4Å; S242-R246 PolarHBondContact O-N 3.3Å; S242-R246 VanDerWaalsContact O-N 3.09Å
243	S	96.9	Very high	96.5	Very high	107 Å²	107	61.5 Å²	61.5	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-57	-35.5	175.9	54.9	0	0	0	0	112	D247	S243-D247 WeakPolarHBondContact O-CB 3.38Å; S243-D247 PolarHBondContact O-N 3.43Å
244	G	97.2	Very high	96.7	Very high	22 Å²	22	62.6 Å²	62.6	23%	0.227	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-49.9	177.8	0	0	0	0	0	113	S242 R246 D247 L248 H269	S242-G244 PolarHBondContact O-N 3.4Å; G244-R246 VanDerWaalsContact C-N 3.35Å; G244-R246 PolarHBondContact O-N 2.86Å; G244-D247 PolarHBondContact O-N 2.92Å; G244-L248 PolarHBondContact O-N 2.77Å; G244-H269 PolarHBondContact O-CE1 3.29Å
245	V	97.5	Very high	96.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-34	180	76.4	0	0	0	0	112.3	L208 L212 L241 S242 D247 L248 L249 W271	L208-V245 HydrophobicContact CD2-CG2 4.38Å; L212-V245 HydrophobicContact CD1-CG1 4.48Å; L212-V245 HydrophobicContact CD1-CG2 3.37Å; L241-V245 HydrophobicContact CB-CG1 3.73Å; L241-V245 HydrophobicContact CD1-CG1 4.47Å; L241-V245 HydrophobicContact CD2-CG1 4.36Å; L241-V245 HydrophobicContact CG-CG1 4.41Å; S242-V245 WeakPolarHBondContact O-CG1 3.37Å; S242-V245 PolarHBondContact O-N 3.09Å; S242-V245 PolarHBondContact OG-N 2.88Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 3.46Å; V245-L248 PolarHBondContact O-N 3.38Å; V245-L249 HydrophobicContact CG2-CD1 4.42Å; V245-L249 WeakPolarHBondContact O-CB 3.41Å; V245-L249 WeakPolarHBondContact O-CG 3.34Å; V245-L249 PolarHBondContact O-N 3.34Å; V245-W271 HydrophobicContact CB-CD2 4.14Å; V245-W271 HydrophobicContact CB-CG 4.15Å; V245-W271 HydrophobicContact CB-CZ2 4.31Å; V245-W271 HydrophobicContact CG2-CD2 4.04Å; V245-W271 HydrophobicContact CG2-CE3 4.49Å; V245-W271 HydrophobicContact CG2-CH2 4.24Å; V245-W271 HydrophobicContact CG2-CZ2 3.76Å
246	R	98.1	Very high	96.8	Very high	63 Å²	63	56.4 Å²	56.4	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-38.2	173.3	-68.9	-180	75.5	176.2	10.8	111.6	L237 L241 S242 G244 R250	L237-R246 HydrophobicContact CB-CG 4.33Å; L237-R246 HydrophobicContact CD1-CB 4.09Å; L237-R246 HydrophobicContact CD1-CG 4.27Å; L237-R246 HydrophobicContact CD2-CG 4.39Å; L237-R246 PolarHBondContact O-NH2 3.47Å; L237-R246 VanDerWaalsContact O-NH2 3.08Å; L241-R246 HydrophobicContact CB-CG 3.82Å; L241-R246 WeakPolarHBondContact O-CD 3.41Å; S242-R246 VanDerWaalsContact O-CG 3.32Å; S242-R246 WeakPolarHBondContact O-CG 3.4Å; S242-R246 PolarHBondContact O-N 3.3Å; S242-R246 VanDerWaalsContact O-N 3.09Å; G244-R246 VanDerWaalsContact C-N 3.35Å; G244-R246 PolarHBondContact O-N 2.86Å; R246-R250 VanDerWaalsContact O-CG 3.31Å; R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.1Å; R246-R250 PolarHBondContact O-NH1 3.21Å
247	D	98	Very high	96.7	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-49.7	173.7	-169.2	53.4	0	0	0	111.3	S243 G244 V245 L249 R250 R251 H269	S243-D247 WeakPolarHBondContact O-CB 3.38Å; S243-D247 PolarHBondContact O-N 3.43Å; G244-D247 PolarHBondContact O-N 2.92Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 3.46Å; D247-L249 PolarHBondContact O-N 3.19Å; D247-R250 PolarHBondContact O-N 3.16Å; D247-R251 WeakPolarHBondContact O-CG 3.5Å; D247-R251 PolarHBondContact O-N 2.81Å; D247-R251 VanDerWaalsContact O-N 3.1Å; D247-R251 IonicContact OD1-NE 3.68Å; D247-R251 IonicContact OD1-NH2 2.79Å; D247-R251 IonicContact OD2-CZ 2.65Å; D247-R251 IonicContact OD2-NE 2.81Å; D247-R251 PolarHBondContact OD2-NE 2.84Å; D247-R251 IonicContact OD2-NH2 3.24Å; D247-R251 PolarHBondContact OD2-NH2 2.83Å; D247-H269 IonicContact OD2-NE2 2.66Å; D247-H269 PolarHBondContact OD2-NE2 3.42Å
248	L	98.4	Very high	96.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-56.4	-48.5	178.6	-177.8	57.5	0	0	0	112.4	F124 L208 G244 V245 R250 R251 M252 I266 H269 W271	F124-L248 HydrophobicContact CE1-CD2 4.2Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å; L208-L248 HydrophobicContact CD2-CG 4.42Å; G244-L248 PolarHBondContact O-N 2.77Å; V245-L248 PolarHBondContact O-N 3.38Å; L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 3.29Å; L248-R251 PolarHBondContact O-N 2.92Å; L248-M252 HydrophobicContact CD1-CG 4.14Å; L248-M252 HydrophobicContact CD1-SD 3.99Å; L248-M252 HydrophobicContact CG-CG 4.48Å; L248-M252 HydrophobicContact CG-SD 3.96Å; L248-M252 WeakPolarHBondContact O-CG 3.32Å; L248-M252 PolarHBondContact O-N 3.05Å; L248-I266 HydrophobicContact CD1-CG1 4.14Å; L248-I266 HydrophobicContact CD1-CG2 4.3Å; L248-H269 HydrophobicContact CD1-CB 4.09Å; L248-W271 HydrophobicContact CD2-CD2 4.43Å; L248-W271 HydrophobicContact CD2-CE3 3.58Å; L248-W271 HydrophobicContact CD2-CZ3 4.1Å
249	L	98.4	Very high	96.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-41	178.7	-77.1	169.7	0	0	0	112.3	G205 L208 Y209 L212 F235 L237 L241 V245 D247 R251 M252 I253	G205-L249 WeakPolarHBondContact O-CD2 3.33Å; L208-L249 HydrophobicContact CB-CD2 4.09Å; L208-L249 HydrophobicContact CD2-CD2 4.01Å; L208-L249 HydrophobicContact CD2-CG 4.37Å; L208-L249 HydrophobicContact CG-CD2 4Å; Y209-L249 HydrophobicContact CD2-CD1 4.35Å; L212-L249 HydrophobicContact CD1-CD1 4.2Å; F235-L249 HydrophobicContact CE2-CB 4.34Å; F235-L249 HydrophobicContact CZ-CB 4.42Å; L237-L249 HydrophobicContact CD2-CB 4.28Å; L237-L249 HydrophobicContact CD2-CD1 3.62Å; L241-L249 HydrophobicContact CD1-CD1 4.49Å; V245-L249 HydrophobicContact CG2-CD1 4.42Å; V245-L249 WeakPolarHBondContact O-CB 3.41Å; V245-L249 WeakPolarHBondContact O-CG 3.34Å; V245-L249 PolarHBondContact O-N 3.34Å; D247-L249 PolarHBondContact O-N 3.19Å; L249-R251 VanDerWaalsContact C-N 3.35Å; L249-R251 PolarHBondContact O-N 3.15Å; L249-M252 PolarHBondContact O-N 2.97Å; L249-I253 HydrophobicContact CD2-CD1 4.21Å; L249-I253 WeakPolarHBondContact O-CB 3.5Å; L249-I253 WeakPolarHBondContact O-CG1 3.41Å; L249-I253 PolarHBondContact O-N 3.17Å
250	R	98	Very high	97	Very high	115 Å²	115	56.9 Å²	56.9	43%	0.434	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176.2	-72.2	180	-162.6	111	-4.5	111.8	L237 R246 D247 L248 T254	L237-R250 HydrophobicContact CD1-CG 3.97Å; R246-R250 VanDerWaalsContact O-CG 3.31Å; R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.1Å; R246-R250 PolarHBondContact O-NH1 3.21Å; D247-R250 PolarHBondContact O-N 3.16Å; L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 3.29Å; R250-T254 PolarHBondContact O-N 3.47Å; R250-T254 PolarHBondContact O-OG1 3.5Å
251	R	98.3	Very high	97.2	Very high	125 Å²	125	51.2 Å²	51.2	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-38.4	179	-62	175	-174.2	-119.8	3.6	112.3	D247 L248 L249 T254 A261	D247-R251 WeakPolarHBondContact O-CG 3.5Å; D247-R251 PolarHBondContact O-N 2.81Å; D247-R251 VanDerWaalsContact O-N 3.1Å; D247-R251 IonicContact OD1-NE 3.68Å; D247-R251 IonicContact OD1-NH2 2.79Å; D247-R251 IonicContact OD2-CZ 2.65Å; D247-R251 IonicContact OD2-NE 2.81Å; D247-R251 PolarHBondContact OD2-NE 2.84Å; D247-R251 IonicContact OD2-NH2 3.24Å; D247-R251 PolarHBondContact OD2-NH2 2.83Å; L248-R251 PolarHBondContact O-N 2.92Å; L249-R251 VanDerWaalsContact C-N 3.35Å; L249-R251 PolarHBondContact O-N 3.15Å; R251-T254 PolarHBondContact O-OG1 3.42Å; R251-A261 HydrophobicContact CB-CB 3.93Å; R251-A261 PolarHBondContact O-N 2.85Å
252	M	98.5	Very high	97.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-74.9	-40.9	178.6	-69.1	-179.2	72	0	0	113.2	F124 V201 C204 G205 L208 L248 L249 T254 R260 A261 I266	F124-M252 HydrophobicContact CE1-SD 4.37Å; F124-M252 HydrophobicContact CE2-CE 3.89Å; F124-M252 HydrophobicContact CE2-SD 4.39Å; F124-M252 HydrophobicContact CZ-CE 3.46Å; F124-M252 VanDerWaalsContact CZ-CE 3.46Å; F124-M252 HydrophobicContact CZ-SD 3.6Å; F124-M252 VanDerWaalsContact CZ-SD 3.6Å; V201-M252 HydrophobicContact CG1-CB 4.23Å; V201-M252 HydrophobicContact CG1-CE 4.11Å; V201-M252 HydrophobicContact CG1-CG 4.13Å; V201-M252 WeakPolarHBondContact O-CE 3.34Å; C204-M252 HydrophobicContact CB-CE 3.56Å; G205-M252 VanDerWaalsContact CA-CE 3.5Å; L208-M252 HydrophobicContact CD2-SD 4.49Å; L248-M252 HydrophobicContact CD1-CG 4.14Å; L248-M252 HydrophobicContact CD1-SD 3.99Å; L248-M252 HydrophobicContact CG-CG 4.48Å; L248-M252 HydrophobicContact CG-SD 3.96Å; L248-M252 WeakPolarHBondContact O-CG 3.32Å; L248-M252 PolarHBondContact O-N 3.05Å; L249-M252 PolarHBondContact O-N 2.97Å; M252-T254 PolarHBondContact O-N 3.44Å; M252-R260 VanDerWaalsContact O-CD 3.28Å; M252-R260 WeakPolarHBondContact O-CD 3.3Å; M252-R260 WeakPolarHBondContact O-CG 3.49Å; M252-A261 HydrophobicContact CG-CB 4.42Å; M252-I266 HydrophobicContact CE-CD1 3.82Å; M252-I266 HydrophobicContact CG-CD1 3.9Å; M252-I266 HydrophobicContact CG-CG1 4.09Å; M252-I266 HydrophobicContact SD-CD1 4.01Å; M252-I266 HydrophobicContact SD-CG1 4.28Å
253	I	98.1	Very high	97.3	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	40.4	-179.7	-47.2	176.6	0	0	0	109.6	W202 F218 F235 L249	W202-I253 HydrophobicContact CD2-CG2 4.38Å; W202-I253 HydrophobicContact CE3-CG2 4.1Å; W202-I253 HydrophobicContact CH2-CG2 3.52Å; W202-I253 HydrophobicContact CZ2-CG2 3.81Å; W202-I253 HydrophobicContact CZ3-CB 4.42Å; W202-I253 HydrophobicContact CZ3-CG2 3.68Å; F218-I253 HydrophobicContact CE2-CG2 3.62Å; F218-I253 HydrophobicContact CZ-CG2 3.75Å; F235-I253 HydrophobicContact CD1-CG2 4.1Å; F235-I253 HydrophobicContact CE1-CB 3.78Å; F235-I253 HydrophobicContact CE1-CD1 4.31Å; F235-I253 HydrophobicContact CE1-CG2 3.8Å; F235-I253 HydrophobicContact CE2-CD1 4.1Å; F235-I253 HydrophobicContact CZ-CB 4Å; F235-I253 HydrophobicContact CZ-CD1 3.95Å; F235-I253 HydrophobicContact CZ-CG1 4.44Å; F235-I253 HydrophobicContact CZ-CG2 4.42Å; L249-I253 HydrophobicContact CD2-CD1 4.21Å; L249-I253 WeakPolarHBondContact O-CB 3.5Å; L249-I253 WeakPolarHBondContact O-CG1 3.41Å; L249-I253 PolarHBondContact O-N 3.17Å
254	T	98.1	Very high	97.1	Very high	37 Å²	37	51 Å²	51	23%	0.227	25%	0.253	C	S	.	.			trans	-84.5	127.7	172.7	-71.7	0	0	0	0	109.5	R250 R251 M252 D256 K259 R260	R250-T254 PolarHBondContact O-N 3.47Å; R250-T254 PolarHBondContact O-OG1 3.5Å; R251-T254 PolarHBondContact O-OG1 3.42Å; M252-T254 PolarHBondContact O-N 3.44Å; T254-D256 HydrophobicContact CG2-CB 4.35Å; T254-D256 PolarHBondContact O-N 3.41Å; T254-K259 HydrophobicContact CG2-CB 3.91Å; T254-R260 PolarHBondContact O-NE 3.38Å; T254-R260 PolarHBondContact O-NH2 2.96Å
255	V	97.6	Very high	97.1	Very high	53 Å²	53	55 Å²	55	32%	0.321	27%	0.265	S	S	.	.	S	Bend	trans	-63.4	-41.1	-176.6	175.1	0	0	0	0	112.1	P186 W202 G233 P257 R260	P186-V255 HydrophobicContact CB-CG1 4.17Å; P186-V255 HydrophobicContact CG-CG1 4.14Å; P186-V255 HydrophobicContact CG-CG2 4.42Å; W202-V255 HydrophobicContact CH2-CG2 4.48Å; W202-V255 HydrophobicContact CZ3-CG2 4.48Å; G233-V255 VanDerWaalsContact CA-CG2 3.49Å; V255-P257 VanDerWaalsContact O-CD 3.27Å; V255-P257 WeakPolarHBondContact O-CD 3.3Å; V255-R260 PolarHBondContact O-NH2 3.43Å
256	D	95.1	Very high	97.1	Very high	59 Å²	59	55 Å²	55	32%	0.316	27%	0.265	S	S	.	.	S	Bend	trans	-73.9	111.3	177.1	-176.4	-8.6	0	0	0	110.1	T254 I258 K259 R260	T254-D256 HydrophobicContact CG2-CB 4.35Å; T254-D256 PolarHBondContact O-N 3.41Å; D256-I258 PolarHBondContact O-N 3.34Å; D256-I258 VanDerWaalsContact O-N 3.17Å; D256-I258 PolarHBondContact OD1-N 2.98Å; D256-I258 VanDerWaalsContact OD1-N 3.13Å; D256-K259 HydrophobicContact CB-CB 4.25Å; D256-K259 HydrophobicContact CB-CD 4.23Å; D256-K259 HydrophobicContact CB-CG 4.32Å; D256-K259 PolarHBondContact O-N 3.49Å; D256-K259 VanDerWaalsContact O-N 3.1Å; D256-K259 WeakPolarHBondContact OD2-CD 3.38Å; D256-K259 VanDerWaalsContact OD2-CE 3.3Å; D256-K259 WeakPolarHBondContact OD2-CE 3.48Å; D256-K259 IonicContact OD2-NZ 2.83Å; D256-R260 PolarHBondContact O-N 3.38Å
257	P	94.9	Very high	97	Very high	49 Å²	49	56 Å²	56	32%	0.318	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.2	-175.8	24.4	-33.7	0	0	0	113.3	E198 V255	E198-P257 HydrophobicContact CB-CB 4.45Å; E198-P257 HydrophobicContact CG-CB 3.83Å; V255-P257 VanDerWaalsContact O-CD 3.27Å; V255-P257 WeakPolarHBondContact O-CD 3.3Å
258	I	94	Very high	96.9	Very high	156 Å²	156	61.4 Å²	61.4	80%	0.8	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.6	179.6	-61.4	175.5	0	0	0	111.2	D256	D256-I258 PolarHBondContact O-N 3.34Å; D256-I258 VanDerWaalsContact O-N 3.17Å; D256-I258 PolarHBondContact OD1-N 2.98Å; D256-I258 VanDerWaalsContact OD1-N 3.13Å
259	K	96.3	Very high	96.9	Very high	156 Å²	156	62 Å²	62	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-10.8	179.4	-63.1	179.5	-174.5	172.6	0	112.8	T254 D256	T254-K259 HydrophobicContact CG2-CB 3.91Å; D256-K259 HydrophobicContact CB-CB 4.25Å; D256-K259 HydrophobicContact CB-CD 4.23Å; D256-K259 HydrophobicContact CB-CG 4.32Å; D256-K259 PolarHBondContact O-N 3.49Å; D256-K259 VanDerWaalsContact O-N 3.1Å; D256-K259 WeakPolarHBondContact OD2-CD 3.38Å; D256-K259 VanDerWaalsContact OD2-CE 3.3Å; D256-K259 WeakPolarHBondContact OD2-CE 3.48Å; D256-K259 IonicContact OD2-NZ 2.83Å
260	R	98.2	Very high	96.8	Very high	6 Å²	6	66.4 Å²	66.4	2%	0.023	32%	0.317	C	S	.	.	S	Bend	trans	-65.3	138.9	178.5	-167.1	179.9	-60.3	148.8	7.3	109.3	E187 E198 V201 M252 T254 V255 D256 T262	E187-R260 IonicContact OE1-CZ 3.22Å; E187-R260 IonicContact OE1-NH1 3.68Å; E187-R260 PolarHBondContact OE1-NH1 2.89Å; E187-R260 IonicContact OE1-NH2 3.92Å; E187-R260 PolarHBondContact OE1-NH2 3.14Å; E187-R260 VanDerWaalsContact OE1-NH2 3.14Å; E187-R260 IonicContact OE2-CZ 3.31Å; E187-R260 IonicContact OE2-NH1 2.77Å; E187-R260 IonicContact OE2-NH2 2.81Å; E187-R260 PolarHBondContact OE2-NH2 2.96Å; E198-R260 VanDerWaalsContact C-NH1 3.33Å; E198-R260 VanDerWaalsContact O-CD 3.31Å; E198-R260 WeakPolarHBondContact O-CD 3.48Å; E198-R260 PolarHBondContact O-NH1 3.37Å; V201-R260 HydrophobicContact CG1-CG 4.36Å; M252-R260 VanDerWaalsContact O-CD 3.28Å; M252-R260 WeakPolarHBondContact O-CD 3.3Å; M252-R260 WeakPolarHBondContact O-CG 3.49Å; T254-R260 PolarHBondContact O-NE 3.38Å; T254-R260 PolarHBondContact O-NH2 2.96Å; V255-R260 PolarHBondContact O-NH2 3.43Å; D256-R260 PolarHBondContact O-N 3.38Å; R260-T262 PolarHBondContact O-N 3.38Å
261	A	97.9	Very high	96.8	Very high	7 Å²	7	61.4 Å²	61.4	6%	0.058	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-53.8	141.3	177.5	0	0	0	0	0	111.2	V201 R251 M252 E265 I266	V201-A261 VanDerWaalsContact CG1-O 3.3Å; V201-A261 WeakPolarHBondContact CG1-O 3.45Å; R251-A261 HydrophobicContact CB-CB 3.93Å; R251-A261 PolarHBondContact O-N 2.85Å; M252-A261 HydrophobicContact CG-CB 4.42Å; A261-E265 WeakPolarHBondContact CA-OE2 3.45Å; A261-I266 HydrophobicContact CB-CD1 4.49Å; A261-I266 HydrophobicContact CB-CG1 4.06Å
262	T	97.2	Very high	96.8	Very high	71 Å²	71	55.5 Å²	55.5	44%	0.436	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-87.3	162.7	167.1	61.4	0	0	0	0	110.2	R260 E264 E265 I266	R260-T262 PolarHBondContact O-N 3.38Å; T262-E264 PolarHBondContact O-N 2.93Å; T262-E265 PolarHBondContact N-OE2 3.47Å; T262-E265 PolarHBondContact O-N 2.92Å; T262-E265 VanDerWaalsContact O-N 3.15Å; T262-E265 VanDerWaalsContact OG1-CG 3.32Å; T262-E265 WeakPolarHBondContact OG1-CG 3.48Å; T262-E265 PolarHBondContact OG1-N 2.74Å; T262-E265 PolarHBondContact OG1-OE2 3.35Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3Å
263	I	95.7	Very high	96.7	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-37.6	173	-66.2	-67.8	0	0	0	111.4	I128 V131 A132 V201 I266 R267	I128-I263 HydrophobicContact CD1-CD1 4.01Å; I128-I263 HydrophobicContact CG2-CD1 4.18Å; I128-I263 HydrophobicContact CG2-CG2 4.1Å; V131-I263 HydrophobicContact CG1-CD1 4Å; A132-I263 HydrophobicContact CB-CG2 3.67Å; V201-I263 HydrophobicContact CG2-CD1 3.87Å; V201-I263 HydrophobicContact CG2-CG1 4.04Å; I263-I266 HydrophobicContact CD1-CD1 4.4Å; I263-I266 PolarHBondContact O-N 2.95Å; I263-R267 HydrophobicContact CG2-CG 4.48Å; I263-R267 VanDerWaalsContact O-CG 3.26Å; I263-R267 WeakPolarHBondContact O-CG 3.26Å; I263-R267 PolarHBondContact O-N 3.36Å
264	E	93.5	Very high	96.7	Very high	72 Å²	72	61 Å²	61	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-40.1	178.5	-175.1	57.6	-161.5	0	0	112.4	T262 R267 R268	T262-E264 PolarHBondContact O-N 2.93Å; E264-R267 PolarHBondContact O-N 3.41Å; E264-R267 IonicContact OE2-CZ 2.95Å; E264-R267 IonicContact OE2-NH1 3.08Å; E264-R267 PolarHBondContact OE2-NH1 2.71Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 2.67Å; E264-R268 VanDerWaalsContact OE1-CZ 3.24Å; E264-R268 IonicContact OE1-NE 2.89Å; E264-R268 PolarHBondContact OE1-NE 3.29Å; E264-R268 IonicContact OE1-NH2 3.92Å; E264-R268 PolarHBondContact OE1-NH2 3.34Å
265	E	97.3	Very high	96.5	Very high	105 Å²	105	65 Å²	65	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-36.3	174.3	-70.7	165.8	135.7	0	0	112.1	A261 T262 R268 H269	A261-E265 WeakPolarHBondContact CA-OE2 3.45Å; T262-E265 PolarHBondContact N-OE2 3.47Å; T262-E265 PolarHBondContact O-N 2.92Å; T262-E265 VanDerWaalsContact O-N 3.15Å; T262-E265 VanDerWaalsContact OG1-CG 3.32Å; T262-E265 WeakPolarHBondContact OG1-CG 3.48Å; T262-E265 PolarHBondContact OG1-N 2.74Å; T262-E265 PolarHBondContact OG1-OE2 3.35Å; E265-R268 PolarHBondContact O-N 3.32Å; E265-H269 PolarHBondContact O-N 3.29Å; E265-H269 VanDerWaalsContact O-N 3.15Å
266	I	98.1	Very high	96.4	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-46	173.6	-66.6	162.8	0	0	0	110.2	F124 I128 V201 L248 M252 A261 T262 I263 R268 H269 F272	F124-I266 HydrophobicContact CE1-CG2 4.01Å; F124-I266 HydrophobicContact CZ-CG2 4.4Å; I128-I266 HydrophobicContact CD1-CD1 4.38Å; I128-I266 HydrophobicContact CD1-CG2 4.44Å; I128-I266 HydrophobicContact CG1-CG2 4.27Å; I128-I266 HydrophobicContact CG2-CG2 4.35Å; V201-I266 HydrophobicContact CG1-CD1 3.78Å; V201-I266 HydrophobicContact CG2-CD1 4.32Å; L248-I266 HydrophobicContact CD1-CG1 4.14Å; L248-I266 HydrophobicContact CD1-CG2 4.3Å; M252-I266 HydrophobicContact CE-CD1 3.82Å; M252-I266 HydrophobicContact CG-CD1 3.9Å; M252-I266 HydrophobicContact CG-CG1 4.09Å; M252-I266 HydrophobicContact SD-CD1 4.01Å; M252-I266 HydrophobicContact SD-CG1 4.28Å; A261-I266 HydrophobicContact CB-CD1 4.49Å; A261-I266 HydrophobicContact CB-CG1 4.06Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3Å; I263-I266 HydrophobicContact CD1-CD1 4.4Å; I263-I266 PolarHBondContact O-N 2.95Å; I266-R268 PolarHBondContact O-N 3.26Å; I266-H269 WeakPolarHBondContact O-CB 3.31Å; I266-H269 PolarHBondContact O-N 3.28Å; I266-F272 HydrophobicContact CG2-CD2 3.83Å; I266-F272 HydrophobicContact CG2-CE2 4.17Å; I266-F272 HydrophobicContact CG2-CG 4.22Å; I266-F272 WeakPolarHBondContact O-CB 3.31Å; I266-F272 WeakPolarHBondContact O-CG 3.49Å
267	R	95.4	Very high	96.2	Very high	85 Å²	85	64.6 Å²	64.6	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-34.5	179.4	-73.6	170.3	69.3	-155.6	6.1	112.9	I263 E264 H269 F272 F281	I263-R267 HydrophobicContact CG2-CG 4.48Å; I263-R267 VanDerWaalsContact O-CG 3.26Å; I263-R267 WeakPolarHBondContact O-CG 3.26Å; I263-R267 PolarHBondContact O-N 3.36Å; E264-R267 PolarHBondContact O-N 3.41Å; E264-R267 IonicContact OE2-CZ 2.95Å; E264-R267 IonicContact OE2-NH1 3.08Å; E264-R267 PolarHBondContact OE2-NH1 2.71Å; R267-H269 VanDerWaalsContact C-N 3.33Å; R267-F272 HydrophobicContact CG-CE1 4.24Å; R267-F281 HydrophobicContact CG-CD1 4.38Å; R267-F281 HydrophobicContact CG-CE1 3.94Å; R267-F281 HydrophobicContact CG-CE2 4.39Å; R267-F281 HydrophobicContact CG-CZ 3.97Å; R267-F281 VanDerWaalsContact NE-CD1 3.3Å
268	R	95.7	Very high	95.7	Very high	168 Å²	168	64.6 Å²	64.6	63%	0.634	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.7	177.2	-64.9	176.8	-170.9	-151.2	2.2	113.6	E264 E265 I266	E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 2.67Å; E264-R268 VanDerWaalsContact OE1-CZ 3.24Å; E264-R268 IonicContact OE1-NE 2.89Å; E264-R268 PolarHBondContact OE1-NE 3.29Å; E264-R268 IonicContact OE1-NH2 3.92Å; E264-R268 PolarHBondContact OE1-NH2 3.34Å; E265-R268 PolarHBondContact O-N 3.32Å; I266-R268 PolarHBondContact O-N 3.26Å
269	H	98.2	Very high	95.3	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.056	31%	0.312	C	S	.	.	S	Bend	trans	-69.6	132	-175.1	-171.1	-86.6	0	0	0	110.7	G244 D247 L248 E265 I266 R267 W271 F272 S273	G244-H269 PolarHBondContact O-CE1 3.29Å; D247-H269 IonicContact OD2-NE2 2.66Å; D247-H269 PolarHBondContact OD2-NE2 3.42Å; L248-H269 HydrophobicContact CD1-CB 4.09Å; E265-H269 PolarHBondContact O-N 3.29Å; E265-H269 VanDerWaalsContact O-N 3.15Å; I266-H269 WeakPolarHBondContact O-CB 3.31Å; I266-H269 PolarHBondContact O-N 3.28Å; R267-H269 VanDerWaalsContact C-N 3.33Å; H269-W271 WeakPolarHBondContact ND1-CB 3.18Å; H269-W271 PolarHBondContact ND1-N 2.92Å; H269-W271 PolarHBondContact O-N 3.11Å; H269-W271 VanDerWaalsContact O-N 3.09Å; H269-F272 HydrophobicContact CB-CB 4.3Å; H269-F272 WeakPolarHBondContact O-CB 3.38Å; H269-F272 PolarHBondContact O-N 2.89Å; H269-S273 PolarHBondContact O-N 3.3Å; H269-S273 VanDerWaalsContact O-N 3.11Å; H269-S273 PolarHBondContact O-OG 3.49Å
270	P	97.6	Very high	95	Very high	94 Å²	94	54 Å²	54	61%	0.61	28%	0.281	S	S	*	.	H	α-helix	trans	-55.6	-35.6	-174.1	-28.9	35.1	0	0	0	114.5	S273 V274	P270-S273 PolarHBondContact O-OG 3.08Å; P270-S273 VanDerWaalsContact O-OG 3.08Å; P270-V274 VanDerWaalsContact O-CG2 3.29Å; P270-V274 WeakPolarHBondContact O-CG2 3.26Å
271	W	98.2	Very high	94.4	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.038	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-33.2	176.3	-174.3	92	0	0	0	112.9	E117 R121 F124 L208 V245 L248 H269	E117-W271 HydrophobicContact CB-CZ2 4.27Å; E117-W271 PolarHBondContact OE2-NE1 2.67Å; R121-W271 HydrophobicContact CB-CH2 3.56Å; R121-W271 HydrophobicContact CB-CZ2 3.9Å; R121-W271 HydrophobicContact CB-CZ3 4.04Å; R121-W271 WeakPolarHBondContact CD-O 3.24Å; R121-W271 HydrophobicContact CG-CE3 4.4Å; R121-W271 HydrophobicContact CG-CH2 4.01Å; R121-W271 HydrophobicContact CG-CZ2 4.48Å; R121-W271 HydrophobicContact CG-CZ3 3.96Å; R121-W271 PolarHBondContact NE-O 2.83Å; F124-W271 HydrophobicContact CD1-CZ3 4.07Å; L208-W271 HydrophobicContact CD1-CH2 3.79Å; L208-W271 HydrophobicContact CD1-CZ3 4.18Å; L208-W271 HydrophobicContact CD2-CZ3 4.27Å; V245-W271 HydrophobicContact CB-CD2 4.14Å; V245-W271 HydrophobicContact CB-CG 4.15Å; V245-W271 HydrophobicContact CB-CZ2 4.31Å; V245-W271 HydrophobicContact CG2-CD2 4.04Å; V245-W271 HydrophobicContact CG2-CE3 4.49Å; V245-W271 HydrophobicContact CG2-CH2 4.24Å; V245-W271 HydrophobicContact CG2-CZ2 3.76Å; L248-W271 HydrophobicContact CD2-CD2 4.43Å; L248-W271 HydrophobicContact CD2-CE3 3.58Å; L248-W271 HydrophobicContact CD2-CZ3 4.1Å; H269-W271 WeakPolarHBondContact ND1-CB 3.18Å; H269-W271 PolarHBondContact ND1-N 2.92Å; H269-W271 PolarHBondContact O-N 3.11Å; H269-W271 VanDerWaalsContact O-N 3.09Å
272	F	98.2	Very high	93.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-77.8	-36.7	-178.3	-175.7	-89.5	0	0	0	111.7	F124 Q125 I128 I266 R267 H269 V274 L276 F281	F124-F272 AromaticContact CD1-CD2 3.77Å; F124-F272 HydrophobicContact CD1-CD2 3.77Å; F124-F272 AromaticContact CD1-CE2 3.85Å; F124-F272 HydrophobicContact CD1-CE2 3.85Å; F124-F272 AromaticContact CE1-CD2 3.78Å; F124-F272 HydrophobicContact CE1-CD2 3.78Å; F124-F272 AromaticContact CE1-CE2 3.96Å; F124-F272 HydrophobicContact CE1-CE2 3.96Å; Q125-F272 HydrophobicContact CB-CE2 4.23Å; Q125-F272 HydrophobicContact CB-CZ 4.12Å; Q125-F272 HydrophobicContact CG-CD2 4.19Å; Q125-F272 HydrophobicContact CG-CE1 4.28Å; Q125-F272 HydrophobicContact CG-CE2 3.79Å; Q125-F272 HydrophobicContact CG-CZ 3.83Å; Q125-F272 PolarHBondContact NE2-O 3.38Å; I128-F272 HydrophobicContact CB-CE2 3.8Å; I128-F272 HydrophobicContact CB-CZ 3.91Å; I128-F272 HydrophobicContact CG1-CE2 3.83Å; I128-F272 HydrophobicContact CG1-CZ 4.44Å; I128-F272 HydrophobicContact CG2-CE2 4.07Å; I128-F272 HydrophobicContact CG2-CZ 3.9Å; I266-F272 HydrophobicContact CG2-CD2 3.83Å; I266-F272 HydrophobicContact CG2-CE2 4.17Å; I266-F272 HydrophobicContact CG2-CG 4.22Å; I266-F272 WeakPolarHBondContact O-CB 3.31Å; I266-F272 WeakPolarHBondContact O-CG 3.49Å; R267-F272 HydrophobicContact CG-CE1 4.24Å; H269-F272 HydrophobicContact CB-CB 4.3Å; H269-F272 WeakPolarHBondContact O-CB 3.38Å; H269-F272 PolarHBondContact O-N 2.89Å; F272-V274 VanDerWaalsContact C-N 3.26Å; F272-V274 PolarHBondContact O-N 3.31Å; F272-L276 HydrophobicContact CD1-CD1 4.49Å; F272-L276 HydrophobicContact CD1-CD2 4.32Å; F272-L276 HydrophobicContact CE1-CD1 3.82Å; F272-L276 HydrophobicContact CE1-CD2 4.03Å; F272-L276 HydrophobicContact CZ-CD1 4.32Å; F272-F281 AromaticContact CE1-CE2 3.7Å; F272-F281 HydrophobicContact CE1-CE2 3.7Å; F272-F281 HydrophobicContact CE1-CZ 4.08Å; F272-F281 AromaticContact CZ-CE2 3.73Å; F272-F281 HydrophobicContact CZ-CE2 3.73Å; F272-F281 AromaticContact CZ-CZ 3.8Å; F272-F281 HydrophobicContact CZ-CZ 3.8Å
273	S	96.3	Very high	91.3	Very high	61 Å²	61	57.6 Å²	57.6	43%	0.427	30%	0.297	S	S	.	.	H	α-helix	trans	-72.6	-13	-176.9	55.8	0	0	0	0	114.5	H269 P270 D275 L276	H269-S273 PolarHBondContact O-N 3.3Å; H269-S273 VanDerWaalsContact O-N 3.11Å; H269-S273 PolarHBondContact O-OG 3.49Å; P270-S273 PolarHBondContact O-OG 3.08Å; P270-S273 VanDerWaalsContact O-OG 3.08Å; S273-D275 PolarHBondContact O-N 3.43Å; S273-L276 PolarHBondContact O-N 3.35Å
274	V	96.7	Very high	89.4	Confident	61 Å²	61	63.5 Å²	63.5	37%	0.37	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	128.1	176.9	-176.2	0	0	0	0	110.1	R121 Q125 P270 F272 L276	R121-V274 WeakPolarHBondContact CD-O 3.36Å; Q125-V274 PolarHBondContact NE2-O 3.37Å; P270-V274 VanDerWaalsContact O-CG2 3.29Å; P270-V274 WeakPolarHBondContact O-CG2 3.26Å; F272-V274 VanDerWaalsContact C-N 3.26Å; F272-V274 PolarHBondContact O-N 3.31Å; V274-L276 PolarHBondContact O-N 3.47Å; V274-L276 VanDerWaalsContact O-N 3.09Å
275	D	95	Very high	86.9	Confident	119 Å²	119	68 Å²	68	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	26.9	178.7	-55.3	-33.2	0	0	0	114.2	S273 P277	S273-D275 PolarHBondContact O-N 3.43Å; D275-P277 WeakPolarHBondContact O-CD 3.41Å
276	L	94.2	Very high	84.3	Confident	54 Å²	54	67.4 Å²	67.4	28%	0.283	34%	0.338	S	S	.	.			trans	-69.5	118.1	-176	178	64.5	0	0	0	111.5	Q125 F272 S273 V274 S278 L280 F281	Q125-L276 HydrophobicContact CB-CD1 4.08Å; Q125-L276 HydrophobicContact CG-CD1 3.75Å; F272-L276 HydrophobicContact CD1-CD1 4.49Å; F272-L276 HydrophobicContact CD1-CD2 4.32Å; F272-L276 HydrophobicContact CE1-CD1 3.82Å; F272-L276 HydrophobicContact CE1-CD2 4.03Å; F272-L276 HydrophobicContact CZ-CD1 4.32Å; S273-L276 PolarHBondContact O-N 3.35Å; V274-L276 PolarHBondContact O-N 3.47Å; V274-L276 VanDerWaalsContact O-N 3.09Å; L276-S278 PolarHBondContact O-N 3.35Å; L276-L280 HydrophobicContact CD1-CD1 4.01Å; L276-F281 HydrophobicContact CD1-CD2 4.28Å; L276-F281 HydrophobicContact CD1-CE2 4Å; L276-F281 HydrophobicContact CD2-CD2 4.3Å; L276-F281 HydrophobicContact CD2-CE2 4.49Å
277	P	90.9	Very high	81.8	Confident	50 Å²	50	72 Å²	72	33%	0.325	36%	0.36	S	S	.	.			trans	-67.9	128.3	174.5	-18.3	32.1	0	0	0	111.2	D275 H279 L280	D275-P277 WeakPolarHBondContact O-CD 3.41Å; P277-H279 VanDerWaalsContact C-N 3.26Å; P277-H279 WeakPolarHBondContact CB-CE1 3.49Å; P277-H279 WeakPolarHBondContact CB-ND1 3.1Å; P277-H279 PolarHBondContact O-N 2.88Å; P277-L280 HydrophobicContact CB-CD1 4.42Å; P277-L280 HydrophobicContact CB-CG 4.23Å; P277-L280 HydrophobicContact CG-CD1 4.19Å; P277-L280 HydrophobicContact CG-CG 4.49Å; P277-L280 WeakPolarHBondContact O-CB 3.39Å; P277-L280 PolarHBondContact O-N 2.75Å
278	S	85.7	Confident	79	Confident	50 Å²	50	74 Å²	74	35%	0.35	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.8	-176.3	45.8	0	0	0	0	114.3	L276 L280 F281 V340	L276-S278 PolarHBondContact O-N 3.35Å; S278-L280 PolarHBondContact O-N 2.99Å; S278-F281 PolarHBondContact O-N 3.04Å; S278-V340 WeakPolarHBondContact OG-CG1 3.41Å; S278-V340 VanDerWaalsContact OG-CG2 3.32Å; S278-V340 WeakPolarHBondContact OG-CG2 3.27Å
279	H	85.8	Confident	76.6	Confident	84 Å²	84	70 Å²	70	39%	0.389	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-69	-13.4	178.5	71.3	-90	0	0	0	114.3	P277 F281 P282 V340	P277-H279 VanDerWaalsContact C-N 3.26Å; P277-H279 WeakPolarHBondContact CB-CE1 3.49Å; P277-H279 WeakPolarHBondContact CB-ND1 3.1Å; P277-H279 PolarHBondContact O-N 2.88Å; H279-F281 VanDerWaalsContact C-N 3.32Å; H279-P282 WeakPolarHBondContact O-CD 3.34Å; H279-V340 HydrophobicContact CB-CG2 4.02Å
280	L	89	Confident	74.3	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-74.5	-24.9	-179.6	-68.8	-174	0	0	0	113.1	H79 Q125 Q126 S129 L276 P277 S278	H79-L280 WeakPolarHBondContact NE2-CD2 3.35Å; Q125-L280 HydrophobicContact CB-CD1 3.69Å; Q126-L280 HydrophobicContact CG-CD1 4.46Å; Q126-L280 HydrophobicContact CG-CD2 4.24Å; S129-L280 WeakPolarHBondContact CB-O 3.46Å; S129-L280 PolarHBondContact OG-O 3.17Å; L276-L280 HydrophobicContact CD1-CD1 4.01Å; P277-L280 HydrophobicContact CB-CD1 4.42Å; P277-L280 HydrophobicContact CB-CG 4.23Å; P277-L280 HydrophobicContact CG-CD1 4.19Å; P277-L280 HydrophobicContact CG-CG 4.49Å; P277-L280 WeakPolarHBondContact O-CB 3.39Å; P277-L280 PolarHBondContact O-N 2.75Å; S278-L280 PolarHBondContact O-N 2.99Å
281	F	86.2	Confident	72.5	Confident	34 Å²	34	75 Å²	75	15%	0.149	41%	0.407	C	S	.	.	S	Bend	trans	-136.1	68.2	178.5	-59.1	-81.4	0	0	0	108.9	I128 A132 R267 F272 L276 S278 H279	I128-F281 HydrophobicContact CB-CZ 4.36Å; I128-F281 HydrophobicContact CG2-CE1 4.3Å; I128-F281 HydrophobicContact CG2-CZ 3.87Å; A132-F281 HydrophobicContact CB-CD1 4.43Å; A132-F281 HydrophobicContact CB-CE1 3.89Å; R267-F281 HydrophobicContact CG-CD1 4.38Å; R267-F281 HydrophobicContact CG-CE1 3.94Å; R267-F281 HydrophobicContact CG-CE2 4.39Å; R267-F281 HydrophobicContact CG-CZ 3.97Å; R267-F281 VanDerWaalsContact NE-CD1 3.3Å; F272-F281 AromaticContact CE1-CE2 3.7Å; F272-F281 HydrophobicContact CE1-CE2 3.7Å; F272-F281 HydrophobicContact CE1-CZ 4.08Å; F272-F281 AromaticContact CZ-CE2 3.73Å; F272-F281 HydrophobicContact CZ-CE2 3.73Å; F272-F281 AromaticContact CZ-CZ 3.8Å; F272-F281 HydrophobicContact CZ-CZ 3.8Å; L276-F281 HydrophobicContact CD1-CD2 4.28Å; L276-F281 HydrophobicContact CD1-CE2 4Å; L276-F281 HydrophobicContact CD2-CD2 4.3Å; L276-F281 HydrophobicContact CD2-CE2 4.49Å; S278-F281 PolarHBondContact O-N 3.04Å; H279-F281 VanDerWaalsContact C-N 3.32Å
282	P	69.7	Low	71.1	Confident	60 Å²	60	76.9 Å²	76.9	39%	0.39	42%	0.417	S	S	.	.			trans	-59.5	149.6	176.8	26.5	-31.8	0	0	0	109.3	H279 D286	H279-P282 WeakPolarHBondContact O-CD 3.34Å; P282-D286 HydrophobicContact CB-CB 3.83Å; P282-D286 VanDerWaalsContact CB-OD2 3.26Å; P282-D286 WeakPolarHBondContact CB-OD2 3.27Å
283	Q	60.7	Low	69.9	Low	67 Å²	67	78.2 Å²	78.2	31%	0.313	42%	0.424	S	S	.	.			trans	-74	156.7	168.6	-95.3	-169.3	25.8	0	0	110	R285 D286 P343	Q283-R285 PolarHBondContact O-N 2.93Å; Q283-D286 PolarHBondContact O-N 2.84Å; Q283-P343 HydrophobicContact CB-CB 3.86Å; Q283-P343 HydrophobicContact CB-CG 3.51Å; Q283-P343 HydrophobicContact CG-CB 3.76Å; Q283-P343 HydrophobicContact CG-CG 3.25Å; Q283-P343 VanDerWaalsContact NE2-C 3.3Å; Q283-P343 VanDerWaalsContact NE2-CG 3.3Å; Q283-P343 PolarHBondContact NE2-O 2.84Å
284	E	55.4	Low	69.2	Low	144 Å²	144	83.2 Å²	83.2	67%	0.673	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-6.7	-169.5	-53.2	-161.8	119.6	0	0	115.7	R136	R136-E284 IonicContact CZ-OE1 2.95Å; R136-E284 IonicContact NE-OE1 2.89Å; R136-E284 PolarHBondContact NE-OE1 3.47Å; R136-E284 VanDerWaalsContact NH2-CD 3.28Å; R136-E284 IonicContact NH2-OE1 3.03Å; R136-E284 PolarHBondContact NH2-OE1 3.27Å
285	R	41.6	Very low	68.4	Low	166 Å²	166	87 Å²	87	63%	0.626	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.5	177.8	-71.7	-175.4	-94.3	-174.8	-1.9	114.6	Q283	Q283-R285 PolarHBondContact O-N 2.93Å
286	D	42.1	Very low	67.8	Low	93 Å²	93	81.3 Å²	81.3	50%	0.497	42%	0.422	S	S	.	.			trans	-89.6	0	-174.1	-60.5	-32.5	0	0	0	114.5	P282 Q283 D288	P282-D286 HydrophobicContact CB-CB 3.83Å; P282-D286 VanDerWaalsContact CB-OD2 3.26Å; P282-D286 WeakPolarHBondContact CB-OD2 3.27Å; Q283-D286 PolarHBondContact O-N 2.84Å; D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 VanDerWaalsContact O-N 3.09Å
287	E	45.5	Very low	67.4	Low	95 Å²	95	78.8 Å²	78.8	44%	0.444	41%	0.409	S	S	.	.			trans	-78.5	16.1	-178.5	-73.4	-177.6	-171.9	0	0	114.4	R136 A289	R136-E287 IonicContact CZ-OE1 3.54Å; R136-E287 IonicContact NH1-OE1 3.31Å; R136-E287 PolarHBondContact NH1-OE1 3.42Å; R136-E287 IonicContact NH1-OE2 2.89Å; E287-A289 PolarHBondContact O-N 3.02Å
288	D	35.8	Very low	67.2	Low	127 Å²	127	82.7 Å²	82.7	68%	0.679	42%	0.418	S	S	*	.			trans	-71	79.1	172	-77.6	-19.4	0	0	0	110.6	D286 S290	D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 VanDerWaalsContact O-N 3.09Å; D288-S290 PolarHBondContact O-N 2.69Å
289	A	45	Very low	67.1	Low	84 Å²	84	84 Å²	84	69%	0.694	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	24.6	158.3	0	0	0	0	0	112.6	E287	E287-A289 PolarHBondContact O-N 3.02Å
290	S	50.1	Low	67.2	Low	85 Å²	85	80 Å²	80	59%	0.594	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-13	-168.7	72.4	0	0	0	0	114	D288 I292	D288-S290 PolarHBondContact O-N 2.69Å; S290-I292 PolarHBondContact O-N 2.84Å
291	I	60.4	Low	67.2	Low	127 Å²	127	80.5 Å²	80.5	65%	0.651	40%	0.404	S	S	*	.			trans	-89.7	96.1	175.9	-52.3	178.9	0	0	0	109.2	D293	I291-D293 PolarHBondContact O-N 3.35Å
292	I	69.9	Low	67.3	Low	49 Å²	49	84.7 Å²	84.7	25%	0.251	42%	0.424	S	S	.	.			trans	-62	123	168.4	-59.9	174.1	0	0	0	108.5	S290 K294 V297 F312 L315 Y328	S290-I292 PolarHBondContact O-N 2.84Å; I292-K294 PolarHBondContact O-N 3.26Å; I292-V297 HydrophobicContact CG2-CG2 3.44Å; I292-V297 VanDerWaalsContact CG2-CG2 3.44Å; I292-F312 HydrophobicContact CB-CE1 3.98Å; I292-F312 HydrophobicContact CD1-CD1 3.65Å; I292-F312 HydrophobicContact CD1-CE1 3.84Å; I292-F312 HydrophobicContact CG2-CD1 4.13Å; I292-F312 HydrophobicContact CG2-CE1 3.51Å; I292-F312 HydrophobicContact CG2-CZ 4.27Å; I292-L315 HydrophobicContact CD1-CB 4.19Å; I292-L315 HydrophobicContact CD1-CD1 4.12Å; I292-L315 HydrophobicContact CG1-CD1 4.3Å; I292-L315 HydrophobicContact CG2-CD1 3.72Å; I292-Y328 WeakPolarHBondContact CA-OH 3.48Å; I292-Y328 HydrophobicContact CG2-CE2 4.04Å
293	D	72.5	Confident	68	Low	28 Å²	28	83.6 Å²	83.6	15%	0.15	42%	0.419	C	S	.	.			trans	-78.5	112.1	-179.5	-165.1	-56.9	0	0	0	110.2	I291 E295 A296 V297 Y328 I332 R336	I291-D293 PolarHBondContact O-N 3.35Å; D293-E295 VanDerWaalsContact C-N 3.25Å; D293-E295 PolarHBondContact O-N 2.9Å; D293-E295 WeakPolarHBondContact OD1-CB 3.33Å; D293-E295 PolarHBondContact OD1-N 3.32Å; D293-E295 VanDerWaalsContact OD1-N 3.07Å; D293-A296 HydrophobicContact CB-CB 3.87Å; D293-A296 PolarHBondContact O-N 3.29Å; D293-A296 PolarHBondContact OD1-N 3.2Å; D293-V297 WeakPolarHBondContact O-CG2 3.19Å; D293-V297 PolarHBondContact O-N 3.19Å; D293-Y328 HydrophobicContact CB-CE2 4.37Å; D293-Y328 PolarHBondContact N-OH 2.88Å; D293-I332 HydrophobicContact CB-CD1 3.35Å; D293-R336 IonicContact OD2-CZ 3.26Å; D293-R336 IonicContact OD2-NE 2.76Å; D293-R336 PolarHBondContact OD2-NE 3.23Å; D293-R336 IonicContact OD2-NH2 3.41Å; D293-R336 PolarHBondContact OD2-NH2 3.27Å
294	K	81	Confident	69.1	Low	167 Å²	167	82.3 Å²	82.3	73%	0.726	42%	0.417	S	S	*	.	H	α-helix	trans	-63.5	-32.6	-177.3	-68	-174.6	178.3	-177.1	0	112.6	I292 V297 Y298	I292-K294 PolarHBondContact O-N 3.26Å; K294-V297 PolarHBondContact O-N 3.28Å; K294-Y298 PolarHBondContact O-N 3.21Å
295	E	80.8	Confident	70.6	Confident	139 Å²	139	83 Å²	83	65%	0.65	43%	0.426	S	S	*	.	H	α-helix	trans	-72.5	-39	179.8	-65.1	165	-175.2	0	0	110.6	D293 Y298 E299	D293-E295 VanDerWaalsContact C-N 3.25Å; D293-E295 PolarHBondContact O-N 2.9Å; D293-E295 WeakPolarHBondContact OD1-CB 3.33Å; D293-E295 PolarHBondContact OD1-N 3.32Å; D293-E295 VanDerWaalsContact OD1-N 3.07Å; E295-Y298 PolarHBondContact O-N 3.01Å; E295-E299 PolarHBondContact O-N 2.92Å; E295-E299 VanDerWaalsContact O-N 3.12Å
296	A	82.6	Confident	72.7	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-39.5	171.7	0	0	0	0	0	112.2	D293 Y298 E299 V300 Y328 I331 I332	D293-A296 HydrophobicContact CB-CB 3.87Å; D293-A296 PolarHBondContact O-N 3.29Å; D293-A296 PolarHBondContact OD1-N 3.2Å; A296-Y298 VanDerWaalsContact C-N 3.33Å; A296-Y298 PolarHBondContact O-N 2.87Å; A296-E299 PolarHBondContact O-N 2.98Å; A296-V300 VanDerWaalsContact O-CG2 3.29Å; A296-V300 WeakPolarHBondContact O-CG2 3.49Å; A296-V300 PolarHBondContact O-N 3.22Å; A296-Y328 HydrophobicContact CB-CD2 4.06Å; A296-Y328 HydrophobicContact CB-CE2 3.79Å; A296-I331 HydrophobicContact CB-CG2 3.76Å; A296-I332 HydrophobicContact CB-CD1 3.53Å; A296-I332 HydrophobicContact CB-CG1 3.79Å
297	V	85.4	Confident	74.9	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.012	40%	0.401	C	S	.	.	H	α-helix	trans	-58.2	-45.9	173.6	170.1	0	0	0	0	110.9	I292 D293 K294 E299 V300 C301 E308 V311 F312 L315 Y328	I292-V297 HydrophobicContact CG2-CG2 3.44Å; I292-V297 VanDerWaalsContact CG2-CG2 3.44Å; D293-V297 WeakPolarHBondContact O-CG2 3.19Å; D293-V297 PolarHBondContact O-N 3.19Å; K294-V297 PolarHBondContact O-N 3.28Å; V297-E299 VanDerWaalsContact C-N 3.31Å; V297-E299 PolarHBondContact O-N 2.81Å; V297-V300 WeakPolarHBondContact O-CB 3.31Å; V297-V300 PolarHBondContact O-N 2.93Å; V297-V300 VanDerWaalsContact O-N 3.16Å; V297-C301 PolarHBondContact O-N 2.79Å; V297-C301 PolarHBondContact O-SG 3.19Å; V297-E308 HydrophobicContact CG1-CB 4.31Å; V297-E308 HydrophobicContact CG1-CG 4.22Å; V297-V311 HydrophobicContact CB-CG1 4.43Å; V297-V311 HydrophobicContact CG1-CB 4.1Å; V297-V311 HydrophobicContact CG1-CG1 4.02Å; V297-V311 HydrophobicContact CG2-CG1 4.1Å; V297-F312 HydrophobicContact CG1-CE2 4.06Å; V297-F312 HydrophobicContact CG1-CZ 4.38Å; V297-F312 HydrophobicContact CG2-CE1 4.4Å; V297-F312 HydrophobicContact CG2-CZ 4.23Å; V297-L315 HydrophobicContact CG2-CD1 4.29Å; V297-Y328 HydrophobicContact CG2-CD2 4.07Å; V297-Y328 HydrophobicContact CG2-CE2 3.9Å
298	Y	86.5	Confident	76.9	Confident	131 Å²	131	75.7 Å²	75.7	51%	0.514	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-37.7	178.3	-175.7	-110.1	0	0	0	112.7	K294 E295 A296 C301 Q302	K294-Y298 PolarHBondContact O-N 3.21Å; E295-Y298 PolarHBondContact O-N 3.01Å; A296-Y298 VanDerWaalsContact C-N 3.33Å; A296-Y298 PolarHBondContact O-N 2.87Å; Y298-C301 WeakPolarHBondContact O-CB 3.39Å; Y298-C301 PolarHBondContact O-N 3.13Å; Y298-Q302 HydrophobicContact CE1-CG 4.33Å; Y298-Q302 WeakPolarHBondContact O-CG 3.47Å; Y298-Q302 PolarHBondContact O-N 3.27Å
299	E	84.1	Confident	79.3	Confident	77 Å²	77	79.8 Å²	79.8	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-68.3	-38.3	173.7	-77.7	-177.8	-158.6	0	0	112.9	E295 A296 V297 C301 Q302 A303 I331 K335	E295-E299 PolarHBondContact O-N 2.92Å; E295-E299 VanDerWaalsContact O-N 3.12Å; A296-E299 PolarHBondContact O-N 2.98Å; V297-E299 VanDerWaalsContact C-N 3.31Å; V297-E299 PolarHBondContact O-N 2.81Å; E299-C301 VanDerWaalsContact C-N 3.33Å; E299-Q302 PolarHBondContact O-N 2.97Å; E299-A303 VanDerWaalsContact O-CB 3.23Å; E299-A303 WeakPolarHBondContact O-CB 3.29Å; E299-A303 PolarHBondContact O-N 3.01Å; E299-I331 HydrophobicContact CB-CD1 3.86Å; E299-I331 HydrophobicContact CB-CG2 4.11Å; E299-I331 VanDerWaalsContact OE2-CG2 3.29Å; E299-I331 WeakPolarHBondContact OE2-CG2 3.23Å; E299-K335 WeakPolarHBondContact OE1-CE 3.47Å; E299-K335 IonicContact OE1-NZ 3.62Å; E299-K335 PolarHBondContact OE1-NZ 3.14Å; E299-K335 WeakPolarHBondContact OE2-CE 3.3Å; E299-K335 IonicContact OE2-NZ 3.47Å; E299-K335 PolarHBondContact OE2-NZ 2.87Å
300	V	87.3	Confident	81.3	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-44.7	172.2	176.9	0	0	0	0	110.2	A296 V297 Q302 A303 C304 V311 L324 A327 Y328 I331	A296-V300 VanDerWaalsContact O-CG2 3.29Å; A296-V300 WeakPolarHBondContact O-CG2 3.49Å; A296-V300 PolarHBondContact O-N 3.22Å; V297-V300 WeakPolarHBondContact O-CB 3.31Å; V297-V300 PolarHBondContact O-N 2.93Å; V297-V300 VanDerWaalsContact O-N 3.16Å; V300-Q302 VanDerWaalsContact C-N 3.32Å; V300-Q302 PolarHBondContact O-N 3.07Å; V300-A303 PolarHBondContact O-N 3.05Å; V300-C304 HydrophobicContact CG1-CB 4.47Å; V300-C304 VanDerWaalsContact O-CB 3.29Å; V300-C304 WeakPolarHBondContact O-CB 3.29Å; V300-C304 PolarHBondContact O-N 3.24Å; V300-V311 HydrophobicContact CB-CG1 4.26Å; V300-V311 HydrophobicContact CB-CG2 4.22Å; V300-V311 HydrophobicContact CG1-CG1 4.03Å; V300-V311 HydrophobicContact CG1-CG2 3.66Å; V300-L324 HydrophobicContact CG1-CB 4.48Å; V300-L324 HydrophobicContact CG1-CD2 4.14Å; V300-A327 HydrophobicContact CG1-CB 4.05Å; V300-A327 HydrophobicContact CG2-CB 4.4Å; V300-Y328 HydrophobicContact CG2-CD2 4.33Å; V300-I331 HydrophobicContact CB-CD1 4.28Å; V300-I331 HydrophobicContact CG2-CD1 3.53Å
301	C	89.2	Confident	83	Confident	15 Å²	15	76.6 Å²	76.6	10%	0.101	37%	0.371	C	S	.	.	H	α-helix	trans	-57.2	-45.5	178	-71.6	0	0	0	0	111.8	V297 Y298 E299 N305 A306 T307 E308	V297-C301 PolarHBondContact O-N 2.79Å; V297-C301 PolarHBondContact O-SG 3.19Å; Y298-C301 WeakPolarHBondContact O-CB 3.39Å; Y298-C301 PolarHBondContact O-N 3.13Å; E299-C301 VanDerWaalsContact C-N 3.33Å; C301-N305 VanDerWaalsContact O-CA 3.26Å; C301-N305 WeakPolarHBondContact O-CA 3.18Å; C301-N305 PolarHBondContact O-N 3.38Å; C301-A306 VanDerWaalsContact CA-O 3.26Å; C301-A306 WeakPolarHBondContact CA-O 3.39Å; C301-A306 WeakPolarHBondContact CB-O 3.14Å; C301-A306 PolarHBondContact O-N 3.08Å; C301-A306 PolarHBondContact SG-O 3.1Å; C301-T307 VanDerWaalsContact SG-C 3.58Å; C301-E308 VanDerWaalsContact SG-CA 3.56Å; C301-E308 PolarHBondContact SG-N 3.03Å; C301-E308 VanDerWaalsContact SG-N 3.4Å
302	Q	87.3	Confident	84.1	Confident	123 Å²	123	73.3 Å²	73.3	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-67.7	-44	176.8	-73	-179.5	84.6	0	0	112.6	Y298 E299 V300	Y298-Q302 HydrophobicContact CE1-CG 4.33Å; Y298-Q302 WeakPolarHBondContact O-CG 3.47Å; Y298-Q302 PolarHBondContact O-N 3.27Å; E299-Q302 PolarHBondContact O-N 2.97Å; V300-Q302 VanDerWaalsContact C-N 3.32Å; V300-Q302 PolarHBondContact O-N 3.07Å
303	A	84.3	Confident	84.8	Confident	36 Å²	36	73 Å²	73	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-71.7	-35.9	-176.4	0	0	0	0	0	112.9	S41 T42 E299 V300	S41-A303 WeakPolarHBondContact CB-O 3.41Å; T42-A303 HydrophobicContact CG2-CB 4.27Å; E299-A303 VanDerWaalsContact O-CB 3.23Å; E299-A303 WeakPolarHBondContact O-CB 3.29Å; E299-A303 PolarHBondContact O-N 3.01Å; V300-A303 PolarHBondContact O-N 3.05Å
304	C	85.1	Confident	85.4	Confident	40 Å²	40	71.8 Å²	71.8	27%	0.27	35%	0.35	S	S	.	.	H	α-helix	trans	-105.3	0.1	-174.4	-65.1	0	0	0	0	113.9	V300 A306 L324	V300-C304 HydrophobicContact CG1-CB 4.47Å; V300-C304 VanDerWaalsContact O-CB 3.29Å; V300-C304 WeakPolarHBondContact O-CB 3.29Å; V300-C304 PolarHBondContact O-N 3.24Å; C304-A306 VanDerWaalsContact C-N 3.28Å; C304-A306 PolarHBondContact O-N 2.81Å; C304-L324 HydrophobicContact CB-CD2 3.65Å
305	N	86	Confident	85.3	Confident	159 Å²	159	65 Å²	65	85%	0.85	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	47	-175.1	-164.5	68.1	0	0	0	112.4	C301	C301-N305 VanDerWaalsContact O-CA 3.26Å; C301-N305 WeakPolarHBondContact O-CA 3.18Å; C301-N305 PolarHBondContact O-N 3.38Å
306	A	86.1	Confident	85.2	Confident	15 Å²	15	64.7 Å²	64.7	12%	0.124	32%	0.324	C	S	.	.			trans	-118.4	152.7	-178.4	0	0	0	0	0	110.8	C301 C304 V311 L324	C301-A306 VanDerWaalsContact CA-O 3.26Å; C301-A306 WeakPolarHBondContact CA-O 3.39Å; C301-A306 WeakPolarHBondContact CB-O 3.14Å; C301-A306 PolarHBondContact O-N 3.08Å; C301-A306 PolarHBondContact SG-O 3.1Å; C304-A306 VanDerWaalsContact C-N 3.28Å; C304-A306 PolarHBondContact O-N 2.81Å; A306-V311 HydrophobicContact CB-CG2 4.28Å; A306-L324 HydrophobicContact CB-CD1 3.98Å; A306-L324 HydrophobicContact CB-CD2 3.59Å; A306-L324 HydrophobicContact CB-CG 4.46Å
307	T	88.2	Confident	84.9	Confident	78 Å²	78	70.5 Å²	70.5	48%	0.479	36%	0.355	S	S	.	.			trans	-76.6	152.8	174.3	64.5	0	0	0	0	110.9	C301 R309 E310 V311	C301-T307 VanDerWaalsContact SG-C 3.58Å; T307-R309 PolarHBondContact O-N 2.8Å; T307-R309 VanDerWaalsContact O-N 3.16Å; T307-E310 WeakPolarHBondContact CB-OE2 3.28Å; T307-E310 PolarHBondContact N-OE2 3.1Å; T307-E310 PolarHBondContact O-N 2.87Å; T307-E310 VanDerWaalsContact OG1-CD 3.27Å; T307-E310 VanDerWaalsContact OG1-CG 3.27Å; T307-E310 WeakPolarHBondContact OG1-CG 3.41Å; T307-E310 PolarHBondContact OG1-N 3.37Å; T307-E310 PolarHBondContact OG1-OE2 2.88Å; T307-V311 PolarHBondContact O-N 3.08Å; T307-V311 VanDerWaalsContact O-N 3.16Å
308	E	86.8	Confident	83.9	Confident	107 Å²	107	75.8 Å²	75.8	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-53.8	-38.8	175.3	-66.1	-176.3	177.2	0	0	111.2	V297 C301 E310 V311 F312	V297-E308 HydrophobicContact CG1-CB 4.31Å; V297-E308 HydrophobicContact CG1-CG 4.22Å; C301-E308 VanDerWaalsContact SG-CA 3.56Å; C301-E308 PolarHBondContact SG-N 3.03Å; C301-E308 VanDerWaalsContact SG-N 3.4Å; E308-E310 VanDerWaalsContact C-N 3.33Å; E308-E310 PolarHBondContact O-N 2.97Å; E308-V311 PolarHBondContact O-N 3Å; E308-F312 HydrophobicContact CB-CD2 4.21Å; E308-F312 HydrophobicContact CB-CE2 4.22Å; E308-F312 WeakPolarHBondContact O-CB 3.46Å; E308-F312 WeakPolarHBondContact O-CD2 3.45Å; E308-F312 PolarHBondContact O-N 3.33Å
309	R	86.1	Confident	83.1	Confident	214 Å²	214	72.6 Å²	72.6	81%	0.808	38%	0.375	S	S	*	.	H	α-helix	trans	-61	-39.1	178.8	-172.2	175.8	-179.9	152	0.5	112.7	T307 A313	T307-R309 PolarHBondContact O-N 2.8Å; T307-R309 VanDerWaalsContact O-N 3.16Å; R309-A313 VanDerWaalsContact O-CB 3.26Å; R309-A313 WeakPolarHBondContact O-CB 3.31Å; R309-A313 PolarHBondContact O-N 3.22Å
310	E	88.1	Confident	81.9	Confident	101 Å²	101	70.7 Å²	70.7	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-68.8	-42.4	176.5	-72.1	161.9	142.6	0	0	111.2	T307 E308 A313 A314 L324	T307-E310 WeakPolarHBondContact CB-OE2 3.28Å; T307-E310 PolarHBondContact N-OE2 3.1Å; T307-E310 PolarHBondContact O-N 2.87Å; T307-E310 VanDerWaalsContact OG1-CD 3.27Å; T307-E310 VanDerWaalsContact OG1-CG 3.27Å; T307-E310 WeakPolarHBondContact OG1-CG 3.41Å; T307-E310 PolarHBondContact OG1-N 3.37Å; T307-E310 PolarHBondContact OG1-OE2 2.88Å; E308-E310 VanDerWaalsContact C-N 3.33Å; E308-E310 PolarHBondContact O-N 2.97Å; E310-A313 PolarHBondContact O-N 3.41Å; E310-A314 WeakPolarHBondContact O-CB 3.34Å; E310-A314 PolarHBondContact O-N 3.39Å; E310-L324 HydrophobicContact CB-CD1 3.83Å
311	V	85	Confident	80.9	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63.8	-45.7	176.4	-177.4	0	0	0	0	110.8	V297 V300 A306 T307 E308 A313 A314 L315 L324	V297-V311 HydrophobicContact CB-CG1 4.43Å; V297-V311 HydrophobicContact CG1-CB 4.1Å; V297-V311 HydrophobicContact CG1-CG1 4.02Å; V297-V311 HydrophobicContact CG2-CG1 4.1Å; V300-V311 HydrophobicContact CB-CG1 4.26Å; V300-V311 HydrophobicContact CB-CG2 4.22Å; V300-V311 HydrophobicContact CG1-CG1 4.03Å; V300-V311 HydrophobicContact CG1-CG2 3.66Å; A306-V311 HydrophobicContact CB-CG2 4.28Å; T307-V311 PolarHBondContact O-N 3.08Å; T307-V311 VanDerWaalsContact O-N 3.16Å; E308-V311 PolarHBondContact O-N 3Å; V311-A313 PolarHBondContact O-N 3.05Å; V311-A314 PolarHBondContact O-N 3.1Å; V311-L315 HydrophobicContact CG1-CD1 4.11Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.27Å; V311-L315 PolarHBondContact O-N 3.49Å; V311-L324 HydrophobicContact CG2-CB 4.49Å; V311-L324 HydrophobicContact CG2-CD1 4.25Å; V311-L324 HydrophobicContact CG2-CD2 4.43Å
312	F	84.7	Confident	80.6	Confident	59 Å²	59	75.3 Å²	75.3	26%	0.259	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175	-80.8	-66.4	0	0	0	112	I292 V297 E308 L315 L316	I292-F312 HydrophobicContact CB-CE1 3.98Å; I292-F312 HydrophobicContact CD1-CD1 3.65Å; I292-F312 HydrophobicContact CD1-CE1 3.84Å; I292-F312 HydrophobicContact CG2-CD1 4.13Å; I292-F312 HydrophobicContact CG2-CE1 3.51Å; I292-F312 HydrophobicContact CG2-CZ 4.27Å; V297-F312 HydrophobicContact CG1-CE2 4.06Å; V297-F312 HydrophobicContact CG1-CZ 4.38Å; V297-F312 HydrophobicContact CG2-CE1 4.4Å; V297-F312 HydrophobicContact CG2-CZ 4.23Å; E308-F312 HydrophobicContact CB-CD2 4.21Å; E308-F312 HydrophobicContact CB-CE2 4.22Å; E308-F312 WeakPolarHBondContact O-CB 3.46Å; E308-F312 WeakPolarHBondContact O-CD2 3.45Å; E308-F312 PolarHBondContact O-N 3.33Å; F312-L315 PolarHBondContact O-N 3.19Å; F312-L316 VanDerWaalsContact O-CB 3.32Å; F312-L316 WeakPolarHBondContact O-CB 3.32Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3.27Å
313	A	83.7	Confident	80.5	Confident	41 Å²	41	72.6 Å²	72.6	34%	0.339	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-42.9	177	0	0	0	0	0	111.8	R309 E310 V311 L316 N317	R309-A313 VanDerWaalsContact O-CB 3.26Å; R309-A313 WeakPolarHBondContact O-CB 3.31Å; R309-A313 PolarHBondContact O-N 3.22Å; E310-A313 PolarHBondContact O-N 3.41Å; V311-A313 PolarHBondContact O-N 3.05Å; A313-L316 PolarHBondContact O-N 3.02Å; A313-N317 VanDerWaalsContact O-CB 3.32Å; A313-N317 WeakPolarHBondContact O-CB 3.16Å; A313-N317 PolarHBondContact O-N 3.36Å; A313-N317 PolarHBondContact O-ND2 3.26Å
314	A	84.4	Confident	80.7	Confident	3 Å²	3	72.2 Å²	72.2	3%	0.025	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-45.2	175.1	0	0	0	0	0	112.5	E310 V311 D322 L324	E310-A314 WeakPolarHBondContact O-CB 3.34Å; E310-A314 PolarHBondContact O-N 3.39Å; V311-A314 PolarHBondContact O-N 3.1Å; A314-D322 HydrophobicContact CB-CB 4.36Å; A314-D322 VanDerWaalsContact CB-CG 3.49Å; A314-D322 WeakPolarHBondContact CB-OD1 3.47Å; A314-L324 HydrophobicContact CB-CB 3.87Å; A314-L324 HydrophobicContact CB-CD1 4.45Å
315	L	80.5	Confident	80.7	Confident	24 Å²	24	70.6 Å²	70.6	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-66.3	-38.6	177.8	-66.6	173.6	0	0	0	112.4	I292 V297 V311 F312 N318 Y328	I292-L315 HydrophobicContact CD1-CB 4.19Å; I292-L315 HydrophobicContact CD1-CD1 4.12Å; I292-L315 HydrophobicContact CG1-CD1 4.3Å; I292-L315 HydrophobicContact CG2-CD1 3.72Å; V297-L315 HydrophobicContact CG2-CD1 4.29Å; V311-L315 HydrophobicContact CG1-CD1 4.11Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.27Å; V311-L315 PolarHBondContact O-N 3.49Å; F312-L315 PolarHBondContact O-N 3.19Å; L315-N318 PolarHBondContact O-N 3.16Å; L315-Y328 HydrophobicContact CD1-CD1 4.06Å; L315-Y328 HydrophobicContact CD1-CD2 3.86Å; L315-Y328 HydrophobicContact CD1-CE1 4.18Å; L315-Y328 HydrophobicContact CD1-CE2 3.99Å; L315-Y328 HydrophobicContact CD1-CG 3.88Å; L315-Y328 HydrophobicContact CD2-CD1 3.37Å; L315-Y328 HydrophobicContact CD2-CD2 4.49Å; L315-Y328 HydrophobicContact CD2-CE1 3.95Å; L315-Y328 HydrophobicContact CD2-CG 3.68Å; L315-Y328 HydrophobicContact CG-CD1 4.36Å; L315-Y328 HydrophobicContact CG-CG 4.35Å
316	L	77.9	Confident	80.6	Confident	133 Å²	133	63.1 Å²	63.1	70%	0.696	33%	0.327	S	S	*	.	H	α-helix	trans	-74.4	-35.6	179.6	-72.5	169.9	0	0	0	113.2	F312 A313 N318	F312-L316 VanDerWaalsContact O-CB 3.32Å; F312-L316 WeakPolarHBondContact O-CB 3.32Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3.27Å; A313-L316 PolarHBondContact O-N 3.02Å; L316-N318 PolarHBondContact O-N 3.32Å
317	N	75.7	Confident	80.6	Confident	122 Å²	122	62.4 Å²	62.4	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-63.9	-19.2	175.3	-74.7	-19.8	0	0	0	111.8	A313 D319	A313-N317 VanDerWaalsContact O-CB 3.32Å; A313-N317 WeakPolarHBondContact O-CB 3.16Å; A313-N317 PolarHBondContact O-N 3.36Å; A313-N317 PolarHBondContact O-ND2 3.26Å; N317-D319 PolarHBondContact O-N 3.34Å; N317-D319 VanDerWaalsContact O-N 3.09Å
318	N	65.1	Low	80.6	Confident	113 Å²	113	59.5 Å²	59.5	60%	0.604	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	37.3	-177.8	-157.5	25.8	0	0	0	110.5	L315 L316 P320	L315-N318 PolarHBondContact O-N 3.16Å; L316-N318 PolarHBondContact O-N 3.32Å; N318-P320 WeakPolarHBondContact O-CD 3.32Å
319	D	69.2	Low	80.4	Confident	65 Å²	65	56.6 Å²	56.6	35%	0.348	29%	0.288	S	S	.	.			trans	-86.8	101.5	169.4	-177.2	-4	0	0	0	107.5	N317 S321 D322	N317-D319 PolarHBondContact O-N 3.34Å; N317-D319 VanDerWaalsContact O-N 3.09Å; D319-S321 VanDerWaalsContact CG-OG 3.31Å; D319-S321 PolarHBondContact O-N 2.89Å; D319-S321 WeakPolarHBondContact OD1-CB 3.26Å; D319-S321 PolarHBondContact OD1-N 3.43Å; D319-S321 PolarHBondContact OD1-OG 2.93Å; D319-S321 PolarHBondContact OD2-OG 3.4Å; D319-D322 HydrophobicContact CB-CB 4.31Å; D319-D322 VanDerWaalsContact O-CB 3.25Å; D319-D322 WeakPolarHBondContact O-CB 3.48Å; D319-D322 PolarHBondContact O-N 2.71Å; D319-D322 VanDerWaalsContact O-N 3.12Å
320	P	60.2	Low	80.3	Confident	36 Å²	36	46.5 Å²	46.5	23%	0.234	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.3	-179.3	29.3	-41	0	0	0	114.7	W73 N318	W73-P320 HydrophobicContact CD2-CB 4.38Å; W73-P320 HydrophobicContact CD2-CG 4.19Å; W73-P320 HydrophobicContact CE3-CG 4.47Å; W73-P320 HydrophobicContact CH2-CB 4.03Å; W73-P320 HydrophobicContact CH2-CG 3.17Å; W73-P320 HydrophobicContact CZ2-CB 3.14Å; W73-P320 HydrophobicContact CZ2-CG 2.82Å; W73-P320 HydrophobicContact CZ3-CG 3.99Å; N318-P320 WeakPolarHBondContact O-CD 3.32Å
321	S	66.2	Low	80	Confident	62 Å²	62	42.1 Å²	42.1	43%	0.434	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.1	171.3	72.4	0	0	0	0	113.2	Q85 D319	Q85-S321 PolarHBondContact NE2-O 3.49Å; D319-S321 VanDerWaalsContact CG-OG 3.31Å; D319-S321 PolarHBondContact O-N 2.89Å; D319-S321 WeakPolarHBondContact OD1-CB 3.26Å; D319-S321 PolarHBondContact OD1-N 3.43Å; D319-S321 PolarHBondContact OD1-OG 2.93Å; D319-S321 PolarHBondContact OD2-OG 3.4Å
322	D	81.9	Confident	79.6	Confident	50 Å²	50	42.9 Å²	42.9	27%	0.267	23%	0.234	S	C	.	.			trans	-65.8	129.7	179.8	-174.7	-77.3	0	0	0	111.7	A314 D319 L324 S325 V326	A314-D322 HydrophobicContact CB-CB 4.36Å; A314-D322 VanDerWaalsContact CB-CG 3.49Å; A314-D322 WeakPolarHBondContact CB-OD1 3.47Å; D319-D322 HydrophobicContact CB-CB 4.31Å; D319-D322 VanDerWaalsContact O-CB 3.25Å; D319-D322 WeakPolarHBondContact O-CB 3.48Å; D319-D322 PolarHBondContact O-N 2.71Å; D319-D322 VanDerWaalsContact O-N 3.12Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-L324 PolarHBondContact O-N 2.95Å; D322-L324 WeakPolarHBondContact OD1-CA 3.1Å; D322-L324 VanDerWaalsContact OD1-CB 3.29Å; D322-L324 WeakPolarHBondContact OD1-CB 3.4Å; D322-L324 PolarHBondContact OD1-N 3.05Å; D322-S325 WeakPolarHBondContact O-CB 3.25Å; D322-S325 PolarHBondContact O-N 3.18Å; D322-S325 PolarHBondContact OD1-N 3.47Å; D322-S325 VanDerWaalsContact OD1-N 3.12Å; D322-V326 WeakPolarHBondContact O-CG2 3.47Å; D322-V326 PolarHBondContact O-N 3.49Å
323	Q	86	Confident	78.9	Confident	67 Å²	67	41.8 Å²	41.8	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-31.5	-174.2	-64.8	-67.5	-37.1	0	0	113.1	N19 A327	N19-Q323 PolarHBondContact ND2-OE1 2.62Å; Q323-A327 VanDerWaalsContact O-CB 3.32Å; Q323-A327 WeakPolarHBondContact O-CB 3.36Å; Q323-A327 PolarHBondContact O-N 3.22Å
324	L	87.4	Confident	78.2	Confident	28 Å²	28	45.4 Å²	45.4	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-74.6	-39	176.6	-59.2	176.7	0	0	0	110.7	V300 C304 A306 E310 V311 A314 D322 A327 Y328	V300-L324 HydrophobicContact CG1-CB 4.48Å; V300-L324 HydrophobicContact CG1-CD2 4.14Å; C304-L324 HydrophobicContact CB-CD2 3.65Å; A306-L324 HydrophobicContact CB-CD1 3.98Å; A306-L324 HydrophobicContact CB-CD2 3.59Å; A306-L324 HydrophobicContact CB-CG 4.46Å; E310-L324 HydrophobicContact CB-CD1 3.83Å; V311-L324 HydrophobicContact CG2-CB 4.49Å; V311-L324 HydrophobicContact CG2-CD1 4.25Å; V311-L324 HydrophobicContact CG2-CD2 4.43Å; A314-L324 HydrophobicContact CB-CB 3.87Å; A314-L324 HydrophobicContact CB-CD1 4.45Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-L324 PolarHBondContact O-N 2.95Å; D322-L324 WeakPolarHBondContact OD1-CA 3.1Å; D322-L324 VanDerWaalsContact OD1-CB 3.29Å; D322-L324 WeakPolarHBondContact OD1-CB 3.4Å; D322-L324 PolarHBondContact OD1-N 3.05Å; L324-A327 PolarHBondContact O-N 3.15Å; L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.03Å
325	S	84.9	Confident	77.2	Confident	5 Å²	5	49 Å²	49	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-46.4	172.2	-174.7	0	0	0	0	111	D322 Y328 H329	D322-S325 WeakPolarHBondContact O-CB 3.25Å; D322-S325 PolarHBondContact O-N 3.18Å; D322-S325 PolarHBondContact OD1-N 3.47Å; D322-S325 VanDerWaalsContact OD1-N 3.12Å; S325-Y328 PolarHBondContact O-N 2.92Å; S325-H329 PolarHBondContact O-N 3.07Å; S325-H329 PolarHBondContact O-ND1 3.26Å
326	V	83.7	Confident	75.9	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-46.9	175.7	172.6	0	0	0	0	111.4	Y20 Q85 D322 Y328 H329 L330	Y20-V326 VanDerWaalsContact OH-CG1 3.22Å; Y20-V326 WeakPolarHBondContact OH-CG1 3.47Å; Q85-V326 HydrophobicContact CB-CG2 4.1Å; Q85-V326 HydrophobicContact CG-CG2 4.32Å; D322-V326 WeakPolarHBondContact O-CG2 3.47Å; D322-V326 PolarHBondContact O-N 3.49Å; V326-Y328 VanDerWaalsContact C-N 3.32Å; V326-Y328 PolarHBondContact O-N 2.85Å; V326-H329 PolarHBondContact O-N 3.4Å; V326-L330 HydrophobicContact CG1-CD1 4.06Å; V326-L330 HydrophobicContact CG1-CG 4.46Å; V326-L330 WeakPolarHBondContact O-CG 3.45Å; V326-L330 PolarHBondContact O-N 3.32Å
327	A	86.4	Confident	74.2	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-40.7	177.4	0	0	0	0	0	112.6	T42 V300 Q323 L324 L330 I331	T42-A327 HydrophobicContact CG2-CB 4.13Å; V300-A327 HydrophobicContact CG1-CB 4.05Å; V300-A327 HydrophobicContact CG2-CB 4.4Å; Q323-A327 VanDerWaalsContact O-CB 3.32Å; Q323-A327 WeakPolarHBondContact O-CB 3.36Å; Q323-A327 PolarHBondContact O-N 3.22Å; L324-A327 PolarHBondContact O-N 3.15Å; A327-L330 PolarHBondContact O-N 2.97Å; A327-I331 WeakPolarHBondContact O-CG1 3.34Å; A327-I331 PolarHBondContact O-N 2.77Å
328	Y	88	Confident	72	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.071	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-48.8	176.3	173.9	-95.6	0	0	0	112.1	I292 D293 A296 V297 V300 L315 L324 S325 V326 L330 I331 I332	I292-Y328 WeakPolarHBondContact CA-OH 3.48Å; I292-Y328 HydrophobicContact CG2-CE2 4.04Å; D293-Y328 HydrophobicContact CB-CE2 4.37Å; D293-Y328 PolarHBondContact N-OH 2.88Å; A296-Y328 HydrophobicContact CB-CD2 4.06Å; A296-Y328 HydrophobicContact CB-CE2 3.79Å; V297-Y328 HydrophobicContact CG2-CD2 4.07Å; V297-Y328 HydrophobicContact CG2-CE2 3.9Å; V300-Y328 HydrophobicContact CG2-CD2 4.33Å; L315-Y328 HydrophobicContact CD1-CD1 4.06Å; L315-Y328 HydrophobicContact CD1-CD2 3.86Å; L315-Y328 HydrophobicContact CD1-CE1 4.18Å; L315-Y328 HydrophobicContact CD1-CE2 3.99Å; L315-Y328 HydrophobicContact CD1-CG 3.88Å; L315-Y328 HydrophobicContact CD2-CD1 3.37Å; L315-Y328 HydrophobicContact CD2-CD2 4.49Å; L315-Y328 HydrophobicContact CD2-CE1 3.95Å; L315-Y328 HydrophobicContact CD2-CG 3.68Å; L315-Y328 HydrophobicContact CG-CD1 4.36Å; L315-Y328 HydrophobicContact CG-CG 4.35Å; L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.03Å; S325-Y328 PolarHBondContact O-N 2.92Å; V326-Y328 VanDerWaalsContact C-N 3.32Å; V326-Y328 PolarHBondContact O-N 2.85Å; Y328-L330 VanDerWaalsContact C-N 3.32Å; Y328-L330 PolarHBondContact O-N 3.42Å; Y328-I331 PolarHBondContact O-N 3.2Å; Y328-I331 VanDerWaalsContact O-N 3.17Å; Y328-I332 HydrophobicContact CD1-CG1 4.11Å; Y328-I332 HydrophobicContact CD2-CG1 4.28Å; Y328-I332 HydrophobicContact CE1-CD1 4.43Å; Y328-I332 HydrophobicContact CE1-CG1 3.66Å; Y328-I332 HydrophobicContact CE2-CD1 4.15Å; Y328-I332 HydrophobicContact CE2-CG1 3.83Å; Y328-I332 HydrophobicContact CG-CG1 4.41Å; Y328-I332 VanDerWaalsContact CZ-CG1 3.49Å; Y328-I332 WeakPolarHBondContact O-CG1 3.39Å; Y328-I332 PolarHBondContact O-N 3.08Å
329	H	83.9	Confident	70.4	Confident	46 Å²	46	51.7 Å²	51.7	21%	0.213	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-38.1	178.6	-69.6	92.5	0	0	0	111.5	R76 S325 V326 I331 I332 D333	R76-H329 PolarHBondContact NH2-NE2 3.45Å; S325-H329 PolarHBondContact O-N 3.07Å; S325-H329 PolarHBondContact O-ND1 3.26Å; V326-H329 PolarHBondContact O-N 3.4Å; H329-I331 VanDerWaalsContact C-N 3.32Å; H329-I331 PolarHBondContact O-N 3.29Å; H329-I332 PolarHBondContact O-N 2.88Å; H329-D333 VanDerWaalsContact O-CB 3.27Å; H329-D333 WeakPolarHBondContact O-CB 3.43Å; H329-D333 PolarHBondContact O-N 2.97Å
330	L	83.9	Confident	68.5	Low	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-37.9	173.6	-73.1	172	0	0	0	112.8	H39 V44 V46 Y84 V326 A327 Y328 N334	H39-L330 HydrophobicContact CB-CD1 4.05Å; V44-L330 HydrophobicContact CG1-CD2 4.09Å; V46-L330 HydrophobicContact CG1-CD2 3.81Å; Y84-L330 HydrophobicContact CD1-CD2 4.4Å; Y84-L330 HydrophobicContact CD2-CD2 3.56Å; Y84-L330 HydrophobicContact CE1-CD2 4.33Å; Y84-L330 HydrophobicContact CE2-CD2 3.43Å; Y84-L330 VanDerWaalsContact CE2-CD2 3.43Å; Y84-L330 HydrophobicContact CG-CD2 4.05Å; V326-L330 HydrophobicContact CG1-CD1 4.06Å; V326-L330 HydrophobicContact CG1-CG 4.46Å; V326-L330 WeakPolarHBondContact O-CG 3.45Å; V326-L330 PolarHBondContact O-N 3.32Å; A327-L330 PolarHBondContact O-N 2.97Å; Y328-L330 VanDerWaalsContact C-N 3.32Å; Y328-L330 PolarHBondContact O-N 3.42Å; L330-N334 PolarHBondContact O-N 2.76Å
331	I	82.1	Confident	67.1	Low	10 Å²	10	56.9 Å²	56.9	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-75	-45.4	178.1	-73.2	162.7	0	0	0	111.2	T42 A296 E299 V300 A327 Y328 H329 D333 N334 K335	T42-I331 HydrophobicContact CG2-CD1 4.15Å; T42-I331 HydrophobicContact CG2-CG1 4.3Å; A296-I331 HydrophobicContact CB-CG2 3.76Å; E299-I331 HydrophobicContact CB-CD1 3.86Å; E299-I331 HydrophobicContact CB-CG2 4.11Å; E299-I331 VanDerWaalsContact OE2-CG2 3.29Å; E299-I331 WeakPolarHBondContact OE2-CG2 3.23Å; V300-I331 HydrophobicContact CB-CD1 4.28Å; V300-I331 HydrophobicContact CG2-CD1 3.53Å; A327-I331 WeakPolarHBondContact O-CG1 3.34Å; A327-I331 PolarHBondContact O-N 2.77Å; Y328-I331 PolarHBondContact O-N 3.2Å; Y328-I331 VanDerWaalsContact O-N 3.17Å; H329-I331 VanDerWaalsContact C-N 3.32Å; H329-I331 PolarHBondContact O-N 3.29Å; I331-D333 VanDerWaalsContact C-N 3.3Å; I331-D333 PolarHBondContact O-N 2.74Å; I331-N334 PolarHBondContact O-N 3.12Å; I331-K335 HydrophobicContact CG2-CD 4.14Å; I331-K335 WeakPolarHBondContact O-CG 3.22Å; I331-K335 PolarHBondContact O-N 3.05Å
332	I	76.7	Confident	65.7	Low	15 Å²	15	60.1 Å²	60.1	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-44.4	178.9	-76.3	-73.4	0	0	0	111.8	D293 A296 Y328 H329 N334 K335 R336	D293-I332 HydrophobicContact CB-CD1 3.35Å; A296-I332 HydrophobicContact CB-CD1 3.53Å; A296-I332 HydrophobicContact CB-CG1 3.79Å; Y328-I332 HydrophobicContact CD1-CG1 4.11Å; Y328-I332 HydrophobicContact CD2-CG1 4.28Å; Y328-I332 HydrophobicContact CE1-CD1 4.43Å; Y328-I332 HydrophobicContact CE1-CG1 3.66Å; Y328-I332 HydrophobicContact CE2-CD1 4.15Å; Y328-I332 HydrophobicContact CE2-CG1 3.83Å; Y328-I332 HydrophobicContact CG-CG1 4.41Å; Y328-I332 VanDerWaalsContact CZ-CG1 3.49Å; Y328-I332 WeakPolarHBondContact O-CG1 3.39Å; Y328-I332 PolarHBondContact O-N 3.08Å; H329-I332 PolarHBondContact O-N 2.88Å; I332-N334 PolarHBondContact O-N 3.35Å; I332-K335 PolarHBondContact O-N 2.82Å; I332-R336 HydrophobicContact CG2-CG 4.33Å; I332-R336 PolarHBondContact O-N 2.74Å
333	D	69.9	Low	63.6	Low	37 Å²	37	59.5 Å²	59.5	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-27.2	-176.6	-71.3	-13.6	0	0	0	112	K82 Y84 H329 I331 K335	K82-D333 WeakPolarHBondContact CD-OD2 3.47Å; K82-D333 IonicContact NZ-OD1 2.64Å; K82-D333 PolarHBondContact NZ-OD1 2.76Å; K82-D333 IonicContact NZ-OD2 3.13Å; K82-D333 PolarHBondContact NZ-OD2 3.38Å; Y84-D333 WeakPolarHBondContact CE1-OD2 3.45Å; Y84-D333 PolarHBondContact OH-OD2 3.26Å; H329-D333 VanDerWaalsContact O-CB 3.27Å; H329-D333 WeakPolarHBondContact O-CB 3.43Å; H329-D333 PolarHBondContact O-N 2.97Å; I331-D333 VanDerWaalsContact C-N 3.3Å; I331-D333 PolarHBondContact O-N 2.74Å; D333-K335 VanDerWaalsContact C-N 3.32Å
334	N	67.4	Low	61.3	Low	117 Å²	117	64.8 Å²	64.8	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-73.5	-20.8	168.7	-94.8	-21.8	0	0	0	113.8	V44 L330 I331 I332	V44-N334 WeakPolarHBondContact CG2-ND2 3.31Å; L330-N334 PolarHBondContact O-N 2.76Å; I331-N334 PolarHBondContact O-N 3.12Å; I332-N334 PolarHBondContact O-N 3.35Å
335	K	64.2	Low	58.8	Low	79 Å²	79	72.5 Å²	72.5	34%	0.343	38%	0.384	S	S	.	.	H	α-helix	trans	-99.9	-27.3	-174.3	-75	-174.9	172.5	-169.2	0	115.2	E299 I331 I332 D333	E299-K335 WeakPolarHBondContact OE1-CE 3.47Å; E299-K335 IonicContact OE1-NZ 3.62Å; E299-K335 PolarHBondContact OE1-NZ 3.14Å; E299-K335 WeakPolarHBondContact OE2-CE 3.3Å; E299-K335 IonicContact OE2-NZ 3.47Å; E299-K335 PolarHBondContact OE2-NZ 2.87Å; I331-K335 HydrophobicContact CG2-CD 4.14Å; I331-K335 WeakPolarHBondContact O-CG 3.22Å; I331-K335 PolarHBondContact O-N 3.05Å; I332-K335 PolarHBondContact O-N 2.82Å; D333-K335 VanDerWaalsContact C-N 3.32Å
336	R	53.7	Low	56.6	Low	126 Å²	126	75.1 Å²	75.1	48%	0.475	40%	0.399	S	S	.	.			trans	-105.3	111.8	-165.7	-69.7	-167.8	177.4	-173.3	-3.1	114.9	D293 I332	D293-R336 IonicContact OD2-CZ 3.26Å; D293-R336 IonicContact OD2-NE 2.76Å; D293-R336 PolarHBondContact OD2-NE 3.23Å; D293-R336 IonicContact OD2-NH2 3.41Å; D293-R336 PolarHBondContact OD2-NH2 3.27Å; I332-R336 HydrophobicContact CG2-CG 4.33Å; I332-R336 PolarHBondContact O-N 2.74Å
337	F	41.2	Very low	54.3	Low	136 Å²	136	79.7 Å²	79.7	60%	0.596	42%	0.424	S	S	*	.			trans	-135.5	112.8	152.4	-83.3	-84.4	0	0	0	109.9
338	G	29.5	Very low	52.2	Low	74 Å²	74	86.1 Å²	86.1	76%	0.763	46%	0.458	S	S	*	.			trans	125	126.8	152.1	0	0	0	0	0	119.7
339	S	31.2	Very low	49.6	Very low	111 Å²	111	93.6 Å²	93.6	78%	0.776	49%	0.491	S	S	*	.			trans	123.5	107.4	154.7	87.7	0	0	0	0	112
340	V	31.1	Very low	47.1	Very low	67 Å²	67	99.8 Å²	99.8	41%	0.406	51%	0.514	S	S	.	.				74.2	117.9	52.2	-178.9	0	0	0	0	114.1	S278 H279	S278-V340 WeakPolarHBondContact OG-CG1 3.41Å; S278-V340 VanDerWaalsContact OG-CG2 3.32Å; S278-V340 WeakPolarHBondContact OG-CG2 3.27Å; H279-V340 HydrophobicContact CB-CG2 4.02Å
341	L	30.2	Very low	44.9	Very low	144 Å²	144	103.9 Å²	103.9	75%	0.754	54%	0.539	S	S	*	.				-177.1	164.2	123.6	-90.6	177.3	0	0	0	113.3
342	N	35.6	Very low	42.6	Very low	129 Å²	129	108.1 Å²	108.1	69%	0.69	58%	0.575	S	S	*	*			trans	-102.6	157.6	-136.5	-153.1	34.2	0	0	0	116.9
343	P	39.5	Very low	41.2	Very low	37 Å²	37	112.1 Å²	112.1	24%	0.24	60%	0.601	C	S	.	*			trans	-147.2	130.7	-169.9	42.9	-21.5	0	0	0	117.2	Q283	Q283-P343 HydrophobicContact CB-CB 3.86Å; Q283-P343 HydrophobicContact CB-CG 3.51Å; Q283-P343 HydrophobicContact CG-CB 3.76Å; Q283-P343 HydrophobicContact CG-CG 3.25Å; Q283-P343 VanDerWaalsContact NE2-C 3.3Å; Q283-P343 VanDerWaalsContact NE2-CG 3.3Å; Q283-P343 PolarHBondContact NE2-O 2.84Å
344	E	36.9	Very low	39.6	Very low	178 Å²	178	113.7 Å²	113.7	83%	0.832	63%	0.626	S	S	*	*			trans	-143.6	-4.7	-179.5	-79.7	-169.1	151.2	0	0	117.6
345	E	36	Very low	38	Very low	191 Å²	191	114.1 Å²	114.1	89%	0.893	63%	0.626	S	S	*	*	S	Bend	trans	-97	-6.9	-165	-69.7	-175.9	154.4	0	0	117.9
346	V	37.2	Very low	36.3	Very low	59 Å²	59	116.5 Å²	116.5	36%	0.358	64%	0.643	S	S	.	*	S	Bend	trans	-98.6	-23.6	-167.7	179.5	0	0	0	0	115.6	N348 F349 Y350	V346-N348 VanDerWaalsContact C-N 3.3Å; V346-N348 PolarHBondContact O-N 2.82Å; V346-N348 VanDerWaalsContact O-N 3.17Å; V346-F349 PolarHBondContact O-N 2.98Å; V346-Y350 HydrophobicContact CG1-CD2 3.87Å; V346-Y350 HydrophobicContact CG1-CE2 3.68Å
347	N	35.8	Very low	35.2	Very low	99 Å²	99	116.3 Å²	116.3	53%	0.529	66%	0.661	S	S	.	*	H	α-helix	trans	-64.5	-29.8	-167.3	-161.7	15.7	0	0	0	114.2	F349 Y350 V351	N347-F349 PolarHBondContact O-N 3.33Å; N347-Y350 PolarHBondContact O-N 3.49Å; N347-V351 PolarHBondContact O-N 3.1Å
348	N	41.5	Very low	34.7	Very low	134 Å²	134	114.3 Å²	114.3	72%	0.717	66%	0.664	S	S	*	*	H	α-helix	trans	-71	-13.1	-177	-70.9	-20.1	0	0	0	114.4	V346	V346-N348 VanDerWaalsContact C-N 3.3Å; V346-N348 PolarHBondContact O-N 2.82Å; V346-N348 VanDerWaalsContact O-N 3.17Å
349	F	34.8	Very low	34.7	Very low	175 Å²	175	117.1 Å²	117.1	77%	0.768	67%	0.666	S	S	*	*	H	α-helix	trans	-87.3	-31.7	179.4	-173.5	-98.1	0	0	0	113.2	V346 N347	V346-F349 PolarHBondContact O-N 2.98Å; N347-F349 PolarHBondContact O-N 3.33Å
350	Y	30.4	Very low	34.8	Very low	176 Å²	176	117.3 Å²	117.3	69%	0.69	67%	0.668	S	S	*	*	H	α-helix	trans	-101.4	-20.8	-170.1	-69.6	-81.3	0	0	0	114.2	V346 N347	V346-Y350 HydrophobicContact CG1-CD2 3.87Å; V346-Y350 HydrophobicContact CG1-CE2 3.68Å; N347-Y350 PolarHBondContact O-N 3.49Å
351	V	37.2	Very low	34.7	Very low	87 Å²	87	119.7 Å²	119.7	53%	0.527	69%	0.687	S	S	.	*	S	Bend	trans	-130.7	132.2	-174.1	-172.7	0	0	0	0	110.4	N347 T353	N347-V351 PolarHBondContact O-N 3.1Å; V351-T353 PolarHBondContact O-N 2.97Å
352	A	34.2	Very low	34.7	Very low	100 Å²	100	117.8 Å²	117.8	83%	0.826	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-68.3	118	172.1	0	0	0	0	0	109.9
353	T	47.1	Very low	34.7	Very low	99 Å²	99	116.5 Å²	116.5	61%	0.607	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-76.8	132.8	174.3	50.1	0	0	0	0	110.2	V351	V351-T353 PolarHBondContact O-N 2.97Å
354	G	37.5	Very low	34.4	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-67.6	131.6	172.1	0	0	0	0	0	110.2	D356	G354-D356 PolarHBondContact O-N 3.34Å
355	I	33.2	Very low	34.1	Very low	125 Å²	125	115.3 Å²	115.3	64%	0.641	72%	0.718	S	S	*	*			trans	-78.7	104.9	170.2	-60.9	173	0	0	0	107.3	S357	I355-S357 PolarHBondContact O-N 3.41Å; I355-S357 VanDerWaalsContact O-N 3.16Å
356	D	28.9	Very low	33.8	Very low	129 Å²	129	112.3 Å²	112.3	69%	0.69	71%	0.713	S	S	*	*			trans	-60.7	115.6	163.4	-75	-22.3	0	0	0	108.2	G354 S358	G354-D356 PolarHBondContact O-N 3.34Å; D356-S358 PolarHBondContact O-N 3.48Å
357	S	30	Very low	33.6	Very low	122 Å²	122	115.3 Å²	115.3	85%	0.853	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	27.9	-174.8	-55	0	0	0	0	113.3	I355	I355-S357 PolarHBondContact O-N 3.41Å; I355-S357 VanDerWaalsContact O-N 3.16Å
358	S	31	Very low	33.4	Very low	94 Å²	94	117.5 Å²	117.5	66%	0.657	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	7.5	-166.6	57.1	0	0	0	0	116.6	D356	D356-S358 PolarHBondContact O-N 3.48Å
359	T	30.8	Very low	33	Very low	133 Å²	133	117.3 Å²	117.3	82%	0.816	75%	0.747	S	S	*	*	S	Bend	trans	-126.4	19.9	-174.5	37.6	0	0	0	0	117
360	S	31.3	Very low	33	Very low	115 Å²	115	113.5 Å²	113.5	80%	0.804	74%	0.742	S	S	*	*			trans	-122.4	66.1	175.6	50.7	0	0	0	0	113.8
361	S	30.8	Very low	33.2	Very low	117 Å²	117	112.7 Å²	112.7	82%	0.818	75%	0.75	S	S	*	*			trans	-161.7	63.2	164.8	41.2	0	0	0	0	112.1
362	A	29.8	Very low	33	Very low	104 Å²	104	114 Å²	114	86%	0.86	76%	0.763	S	S	*	*			trans	-153.9	75	166.1	0	0	0	0	0	111.5
363	A	35.6	Very low	33.5	Very low	102 Å²	102	115.6 Å²	115.6	84%	0.843	77%	0.765	S	S	*	*			trans	-155	109.9	156.1	0	0	0	0	0	108.9
364	G	31.5	Very low	33.2	Very low	71 Å²	71	116 Å²	116	73%	0.732	77%	0.769	S	S	*	*			trans	1.9	160.5	167.2	0	0	0	0	0	123
365	T	31.8	Very low	33.2	Very low	120 Å²	120	120.6 Å²	120.6	74%	0.736	78%	0.776	S	S	*	*			cis	-177.5	139.5	5.7	-78.7	0	0	0	0	104.8
366	T	30.1	Very low	33.6	Very low	128 Å²	128	119.8 Å²	119.8	79%	0.785	78%	0.781	S	S	*	*			trans	64.8	134	160.5	58.1	0	0	0	0	117.8
367	T	33.2	Very low	34	Very low	122 Å²	122	117.7 Å²	117.7	75%	0.748	79%	0.79	S	S	*	*			cis	-159.4	142.5	31.3	42.3	0	0	0	0	112
368	N	30.2	Very low	34.4	Very low	145 Å²	145	114.8 Å²	114.8	78%	0.775	78%	0.779	S	S	*	*			trans	27.8	122.1	145.3	-58.5	-11.6	0	0	0	121.8
369	T	34	Very low	34.7	Very low	129 Å²	129	116.2 Å²	116.2	79%	0.791	78%	0.784	S	S	*	*				164.9	123.7	92.8	42.8	0	0	0	0	112.8
370	S	34.8	Very low	35	Very low	95 Å²	95	116.8 Å²	116.8	66%	0.664	78%	0.781	S	S	*	*			trans	50	112.4	140.7	66.1	0	0	0	0	122.4
371	N	34.4	Very low	35.1	Very low	159 Å²	159	116.8 Å²	116.8	85%	0.85	78%	0.777	S	S	*	*				145.5	101.1	114.7	-80.8	-16.5	0	0	0	113.1
372	S	33.7	Very low	35.5	Very low	116 Å²	116	119.9 Å²	119.9	81%	0.811	78%	0.778	S	S	*	*			trans	-131	134.3	155.1	-57.2	0	0	0	0	107.8
373	P	43	Very low	35.9	Very low	132 Å²	132	119.4 Å²	119.4	86%	0.857	77%	0.768	S	S	*	*			trans	-84.8	141.9	173.1	31.2	-28.4	0	0	0	111.7
374	P	40.9	Very low	36.1	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	77%	0.77	S	S	*	*			trans	-112.3	167.4	-173.5	41.5	-32.8	0	0	0	113.5
375	I	38.8	Very low	36.6	Very low	166 Å²	166	125.8 Å²	125.8	85%	0.851	77%	0.772	S	S	*	*			trans	-150.7	99.7	152	-59.1	-173.2	0	0	0	106.2
376	S	40.4	Very low	36.8	Very low	109 Å²	109	124 Å²	124	76%	0.762	78%	0.778	S	S	*	*				67.2	127.9	79.1	-56.9	0	0	0	0	113.2
377	G	38.4	Very low	36.9	Very low	84 Å²	84	122 Å²	122	87%	0.866	78%	0.783	S	S	*	*			cis	-166.6	-176.2	3.7	0	0	0	0	0	108.2
378	G	37.2	Very low	37	Very low	61 Å²	61	120.5 Å²	120.5	63%	0.629	79%	0.791	S	S	*	*			cis	-161.8	145.3	1.6	0	0	0	0	0	109.1
379	T	37.6	Very low	36.9	Very low	124 Å²	124	124.3 Å²	124.3	76%	0.761	79%	0.794	S	S	*	*				76.6	122.8	100.7	-19	0	0	0	0	113
380	L	37.3	Very low	37.1	Very low	146 Å²	146	124.3 Å²	124.3	76%	0.764	80%	0.799	S	S	*	*				-173	123.8	62.1	-81.4	156	0	0	0	108.6
381	T	33.8	Very low	36.8	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	81%	0.805	S	S	*	*				80	114.4	79.3	62.4	0	0	0	0	118.9
382	H	38.9	Very low	36.8	Very low	181 Å²	181	126 Å²	126	84%	0.838	81%	0.805	S	S	*	*				174.1	107.5	128.7	-109.1	-27.8	0	0	0	110.4
383	S	37.9	Very low	36.9	Very low	95 Å²	95	128.5 Å²	128.5	66%	0.664	81%	0.809	S	S	*	*				62.1	140.8	92.9	66.5	0	0	0	0	115.5
384	Q	40.2	Very low	36.4	Very low	189 Å²	189	127.4 Å²	127.4	88%	0.883	80%	0.804	S	S	*	*			cis	-172.9	174.4	-11.8	-120.6	-136.1	-27.7	0	0	106.6
385	P	42.7	Very low	36.3	Very low	118 Å²	118	128.4 Å²	128.4	77%	0.766	81%	0.811	S	S	*	*			trans	-119.6	-175.5	-151.9	44.3	-34.9	0	0	0	117.2
386	G	35.1	Very low	35.9	Very low	83 Å²	83	128.1 Å²	128.1	86%	0.856	81%	0.811	S	S	*	*			trans	152.2	141.7	162.6	0	0	0	0	0	110.3
387	G	31.8	Very low	35.6	Very low	86 Å²	86	134.2 Å²	134.2	89%	0.887	82%	0.819	S	S	*	*			cis	160.4	140.5	5.8	0	0	0	0	0	105.6
388	G	35	Very low	35.3	Very low	89 Å²	89	133.5 Å²	133.5	92%	0.918	81%	0.812	S	S	*	*			trans	162.8	110.3	174.4	0	0	0	0	0	116.1
389	R	29	Very low	35.1	Very low	225 Å²	225	139 Å²	139	85%	0.849	83%	0.827	S	S	*	*			trans	-96.5	147.3	-178.7	-124.3	176.3	172	-176.5	-3.4	110.2
390	S	37.4	Very low	34.9	Very low	129 Å²	129	140.8 Å²	140.8	90%	0.902	83%	0.831	S	S	*	*			trans	-164.1	134.9	144	-84	0	0	0	0	112
391	Q	30	Very low	34.8	Very low	166 Å²	166	140.7 Å²	140.7	78%	0.776	84%	0.837	S	S	*	*			trans	-101.4	150.3	-179.8	-64.9	174.8	2	0	0	109.9
392	S	34.7	Very low	34.6	Very low	123 Å²	123	138.6 Å²	138.6	86%	0.86	84%	0.838	S	S	*	*			trans	-151.2	148.4	154.6	76.9	0	0	0	0	111.4
393	L	34.9	Very low	34.3	Very low	170 Å²	170	138.1 Å²	138.1	89%	0.89	84%	0.84	S	S	*	*			trans	-94.9	161.8	-153.5	-72.1	139.9	0	0	0	115
394	S	31.8	Very low	34.1	Very low	108 Å²	108	142 Å²	142	76%	0.755	85%	0.851	S	S	*	*			trans	-60.9	179.4	175.2	-39.6	0	0	0	0	115.2
395	P	38.7	Very low	33.5	Very low	130 Å²	130	136 Å²	136	84%	0.844	84%	0.84	S	S	*	*				-153.4	168.2	78	36.6	-13.9	0	0	0	118.6
396	N	31.5	Very low	33	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	85%	0.848	S	S	*	*			trans	-77.8	151.8	-178.4	-116.7	-9.2	0	0	0	114.5
397	Y	34.3	Very low	32.8	Very low	238 Å²	238	145.4 Å²	145.4	93%	0.933	85%	0.853	S	S	*	*			trans	-120.7	120.4	155.5	-100.1	-88.8	0	0	0	109
398	G	31.2	Very low	32.8	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	85%	0.845	S	S	*	*			trans	-98.6	149	176.5	0	0	0	0	0	112.4
399	N	34.4	Very low	32.6	Very low	177 Å²	177	152 Å²	152	95%	0.947	85%	0.845	S	S	*	*			trans	-129.9	127.5	157.5	-103.4	-13.7	0	0	0	108.4
400	N	31.4	Very low	32.7	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	84%	0.844	S	S	*	*			trans	-114.1	117.3	-167.3	-152.3	18.1	0	0	0	107.6
401	T	36.1	Very low	32.6	Very low	145 Å²	145	144.9 Å²	144.9	89%	0.89	83%	0.832	S	S	*	*			trans	-129.7	106.8	161.7	44.1	0	0	0	0	107.9
402	G	29	Very low	32.8	Very low	70 Å²	70	140.1 Å²	140.1	72%	0.722	82%	0.817	S	S	*	*			trans	-79.6	128.9	-177.4	0	0	0	0	0	112.3
403	I	32.9	Very low	33.6	Very low	171 Å²	171	140.8 Å²	140.8	88%	0.877	82%	0.819	S	S	*	*			trans	-122.9	119.6	149.7	-70.1	-175.9	0	0	0	106.7
404	I	33	Very low	34.8	Very low	176 Å²	176	138.3 Å²	138.3	90%	0.903	81%	0.811	S	S	*	*			trans	-78.3	127.6	179.9	-63.6	169.1	0	0	0	108.2
405	G	28.4	Very low	35.7	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	81%	0.806	S	S	*	*			trans	172.9	99	168.7	0	0	0	0	0	115
406	L	32.5	Very low	36.8	Very low	178 Å²	178	139.4 Å²	139.4	93%	0.932	79%	0.792	S	S	*	*			trans	71.2	99.2	156.6	-57.8	165.7	0	0	0	117.7	G408	L406-G408 PolarHBondContact O-N 2.93Å
407	K	31.2	Very low	38	Very low	222 Å²	222	137.4 Å²	137.4	97%	0.965	78%	0.778	S	S	*	*			trans	-61.7	98.3	163.9	-76.9	178.9	173.3	176.3	0	110.9
408	G	30.7	Very low	39.5	Very low	70 Å²	70	132 Å²	132	72%	0.722	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-85.9	124.1	157.9	0	0	0	0	0	110	L406 G410	L406-G408 PolarHBondContact O-N 2.93Å; G408-G410 PolarHBondContact O-N 3.32Å
409	R	31.1	Very low	41.3	Very low	244 Å²	244	136.3 Å²	136.3	92%	0.921	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.5	117.2	174.4	-81.6	175.2	166.6	-175	-4.3	110.1	L411	R409-L411 PolarHBondContact O-N 3.07Å
410	G	31.5	Very low	42.7	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-58.1	125	169.6	0	0	0	0	0	110.9	G408	G408-G410 PolarHBondContact O-N 3.32Å
411	L	34.5	Very low	44.2	Very low	123 Å²	123	136 Å²	136	64%	0.644	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.8	122.2	176.7	-66.5	166.3	0	0	0	108.6	R409	R409-L411 PolarHBondContact O-N 3.07Å
412	S	35.3	Very low	45.4	Very low	67 Å²	67	134.6 Å²	134.6	47%	0.469	75%	0.749	S	S	.	*	P	Polyproline II helix	trans	-51.9	138.7	168.9	177.2	0	0	0	0	110.4	T414 R415	S412-T414 PolarHBondContact O-N 3.21Å; S412-T414 PolarHBondContact OG-N 3.49Å; S412-T414 PolarHBondContact OG-OG1 3.22Å; S412-R415 PolarHBondContact O-N 3.47Å
413	P	50.3	Low	46.9	Very low	137 Å²	137	137.7 Å²	137.7	89%	0.89	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-6.6	178.8	25.6	-33.1	0	0	0	113.6
414	T	61.2	Low	47.8	Very low	117 Å²	117	131.6 Å²	131.6	72%	0.718	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-3.5	177	56.5	0	0	0	0	114.4	S412 P416	S412-T414 PolarHBondContact O-N 3.21Å; S412-T414 PolarHBondContact OG-N 3.49Å; S412-T414 PolarHBondContact OG-OG1 3.22Å; T414-P416 WeakPolarHBondContact O-CD 3.43Å
415	R	50.6	Low	48.2	Very low	176 Å²	176	128.7 Å²	128.7	66%	0.664	72%	0.721	S	S	*	*	S	Bend	trans	-73.3	119.8	178.8	-162.2	-176.6	-168.3	-168.1	-2.1	109.1	S412	S412-R415 PolarHBondContact O-N 3.47Å
416	P	61.7	Low	48.8	Very low	85 Å²	85	130.8 Å²	130.8	55%	0.552	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.7	173	22.4	-30.7	0	0	0	109.9	T414	T414-P416 WeakPolarHBondContact O-CD 3.43Å
417	H	56.2	Low	49.1	Very low	117 Å²	117	130.6 Å²	130.6	54%	0.542	72%	0.723	S	S	.	*	P	Polyproline II helix	trans	-52	135.5	176.7	-169.8	-90.9	0	0	0	109.5	E419 R420	H417-E419 IonicContact CE1-OE2 3.06Å; H417-E419 PolarHBondContact ND1-N 3.43Å; H417-E419 PolarHBondContact O-N 3.4Å; H417-E419 VanDerWaalsContact O-N 3.07Å; H417-R420 HydrophobicContact CB-CB 4.33Å; H417-R420 VanDerWaalsContact O-CB 3.24Å; H417-R420 WeakPolarHBondContact O-CB 3.47Å; H417-R420 PolarHBondContact O-N 3.01Å
418	P	66.7	Low	49.4	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-26	-174	19.7	-31.4	0	0	0	113.8
419	E	67.7	Low	49.4	Very low	161 Å²	161	132.9 Å²	132.9	75%	0.752	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-2.9	175.1	-58.9	-178.1	158.9	0	0	114.2	H417 M421	H417-E419 IonicContact CE1-OE2 3.06Å; H417-E419 PolarHBondContact ND1-N 3.43Å; H417-E419 PolarHBondContact O-N 3.4Å; H417-E419 VanDerWaalsContact O-N 3.07Å; E419-M421 PolarHBondContact O-N 3.47Å
420	R	64.9	Low	49.4	Very low	167 Å²	167	126.1 Å²	126.1	63%	0.63	71%	0.705	S	S	*	*			trans	-73.1	98.2	174.2	-168.5	175.1	-169.1	166.7	3.8	107.9	H417	H417-R420 HydrophobicContact CB-CB 4.33Å; H417-R420 VanDerWaalsContact O-CB 3.24Å; H417-R420 WeakPolarHBondContact O-CB 3.47Å; H417-R420 PolarHBondContact O-N 3.01Å
421	M	61.9	Low	49.4	Very low	163 Å²	163	130.3 Å²	130.3	80%	0.803	71%	0.707	S	S	*	*			trans	-53.6	139.9	174.9	-70	-120.7	141.6	0	0	110	E419	E419-M421 PolarHBondContact O-N 3.47Å
422	P	62.4	Low	49.3	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	71%	0.71	S	S	*	*			trans	-56.2	148	166.3	25.1	-31.6	0	0	0	108.5	G424	P422-G424 VanDerWaalsContact C-N 3.26Å; P422-G424 PolarHBondContact O-N 3.06Å
423	D	59.9	Low	49.3	Very low	134 Å²	134	133.4 Å²	133.4	72%	0.717	73%	0.726	S	S	*	*	S	Bend	trans	-58.4	91.7	174.9	-71.8	-43.3	0	0	0	108.8	M472	D423-M472 HydrophobicContact CB-CE 4.37Å; D423-M472 WeakPolarHBondContact O-CE 3.5Å
424	G	51.4	Low	48.4	Very low	44 Å²	44	136.5 Å²	136.5	45%	0.454	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-100.3	161	-178.1	0	0	0	0	0	111.6	P422 M472	P422-G424 VanDerWaalsContact C-N 3.26Å; P422-G424 PolarHBondContact O-N 3.06Å; G424-M472 WeakPolarHBondContact O-CE 3.33Å
425	P	41.2	Very low	47.1	Very low	114 Å²	114	134 Å²	134	74%	0.74	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60	147.1	178.7	27.7	-33.6	0	0	0	110.1	L427	P425-L427 PolarHBondContact O-N 3.44Å
426	P	42.4	Very low	46.1	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.2	176.6	25.7	-32.3	0	0	0	109.3	S428	P426-S428 VanDerWaalsContact C-N 3.32Å; P426-S428 PolarHBondContact O-N 2.97Å
427	L	39.3	Very low	45	Very low	175 Å²	175	134.8 Å²	134.8	92%	0.916	75%	0.751	S	S	*	*			trans	-59.1	97.9	163.5	-73.7	165	0	0	0	107.5	P425 R429	P425-L427 PolarHBondContact O-N 3.44Å; L427-R429 PolarHBondContact O-N 3.3Å; L427-R429 VanDerWaalsContact O-N 3.08Å
428	S	36.1	Very low	43.9	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	77%	0.767	S	S	*	*			trans	-64.6	108.8	168.2	53	0	0	0	0	107.4	P426 T430	P426-S428 VanDerWaalsContact C-N 3.32Å; P426-S428 PolarHBondContact O-N 2.97Å; S428-T430 PolarHBondContact O-N 2.64Å
429	R	31.8	Very low	42.4	Very low	240 Å²	240	135.4 Å²	135.4	91%	0.906	76%	0.762	S	S	*	*			trans	-65.5	90.2	163.5	-80.4	-177.5	173.7	168.6	-2.4	107.9	L427	L427-R429 PolarHBondContact O-N 3.3Å; L427-R429 VanDerWaalsContact O-N 3.08Å
430	T	31.3	Very low	40.9	Very low	102 Å²	102	133.7 Å²	133.7	63%	0.626	77%	0.768	S	S	*	*			trans	-116.6	82.7	156.8	-39	0	0	0	0	105.6	S428	S428-T430 PolarHBondContact O-N 2.64Å
431	L	31.2	Very low	39.4	Very low	167 Å²	167	129.4 Å²	129.4	87%	0.874	78%	0.776	S	S	*	*			trans	-98.4	78.1	161.8	-80.3	167.2	0	0	0	105.5
432	D	31.7	Very low	38	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-81.6	129.8	157.4	-73.4	-39.9	0	0	0	107	M434	D432-M434 PolarHBondContact O-N 3.01Å
433	P	36.2	Very low	36.8	Very low	123 Å²	123	129.1 Å²	129.1	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.5	125.4	177.9	27.4	-31	0	0	0	109.5	G435	P433-G435 PolarHBondContact O-N 3.48Å
434	M	29.9	Very low	35.7	Very low	201 Å²	201	128.9 Å²	128.9	99%	0.99	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.7	121.7	164.4	-74.3	-171.4	177	0	0	109.1	D432	D432-M434 PolarHBondContact O-N 3.01Å
435	G	34.6	Very low	34.8	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	80%	0.799	S	S	*	*			trans	-147.3	97	171.7	0	0	0	0	0	109.8	P433	P433-G435 PolarHBondContact O-N 3.48Å
436	D	30.6	Very low	34.6	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	80%	0.804	S	S	*	*			trans	31.6	110.8	152.9	-60.8	-27	0	0	0	119.9
437	S	37.5	Very low	34.2	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	81%	0.809	S	S	*	*			trans	-163.2	91.1	141.2	-78	0	0	0	0	111.6
438	L	33.9	Very low	34.1	Very low	168 Å²	168	132 Å²	132	88%	0.88	80%	0.801	S	S	*	*			trans	44.7	107.9	137.5	-72.1	148.4	0	0	0	121
439	A	34.2	Very low	34.2	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	80%	0.804	S	S	*	*				66.7	111.6	123.1	0	0	0	0	0	121.5
440	S	36.3	Very low	34.3	Very low	125 Å²	125	128.5 Å²	128.5	87%	0.874	80%	0.8	S	S	*	*				152	127.6	104.6	-68	0	0	0	0	114.7
441	G	33.6	Very low	34.5	Very low	77 Å²	77	129.1 Å²	129.1	79%	0.794	81%	0.806	S	S	*	*			trans	96.7	94	157.1	0	0	0	0	0	116
442	S	32.5	Very low	35.1	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	80%	0.802	S	S	*	*				81.9	138.2	61.7	-163.4	0	0	0	0	115.1
443	I	37.8	Very low	35.7	Very low	156 Å²	156	127.6 Å²	127.6	80%	0.8	80%	0.802	S	S	*	*			trans	98.5	127.2	161.9	-55.6	172.1	0	0	0	115.1
444	V	37.3	Very low	35.8	Very low	129 Å²	129	126.8 Å²	126.8	78%	0.782	79%	0.79	S	S	*	*			cis	-162	153.2	-1.2	140.9	0	0	0	0	108.8
445	T	31.6	Very low	36.7	Very low	134 Å²	134	122.2 Å²	122.2	82%	0.822	78%	0.778	S	S	*	*			trans	-81.7	157.3	179	42.6	0	0	0	0	114.7
446	G	37.1	Very low	37.5	Very low	82 Å²	82	122.8 Å²	122.8	85%	0.845	77%	0.772	S	S	*	*			trans	-168.4	124.5	167.6	0	0	0	0	0	112.3
447	D	34.3	Very low	38.2	Very low	150 Å²	150	120.6 Å²	120.6	80%	0.802	76%	0.756	S	S	*	*			trans	-108.8	161.4	-153.3	-117.4	-26.7	0	0	0	114
448	L	36.8	Very low	38.5	Very low	141 Å²	141	117.3 Å²	117.3	74%	0.738	74%	0.736	S	S	*	*			trans	86.4	112.2	144.8	-68.4	160.1	0	0	0	123.7
449	N	39.3	Very low	39.2	Very low	143 Å²	143	115.7 Å²	115.7	77%	0.765	72%	0.724	S	S	*	*				67.5	111.9	122.2	-108.1	-3.9	0	0	0	122.5
450	C	32.9	Very low	39.9	Very low	123 Å²	123	114.6 Å²	114.6	83%	0.831	71%	0.711	S	S	*	*			trans	179.7	116.8	131	-103.4	0	0	0	0	111.8
451	P	35.4	Very low	40.3	Very low	115 Å²	115	111.5 Å²	111.5	75%	0.747	69%	0.694	S	S	*	*			trans	-95.6	100.9	178.6	33	-27.1	0	0	0	112.3
452	S	44.8	Very low	41	Very low	113 Å²	113	113.8 Å²	113.8	79%	0.79	69%	0.686	S	S	*	*	S	Bend	trans	-151	13.2	164.8	56.7	0	0	0	0	114.8
453	Q	42.4	Very low	41.7	Very low	154 Å²	154	113 Å²	113	72%	0.72	68%	0.676	S	S	*	*			trans	-125.6	6.4	-175.7	-77.3	-160.4	-20.6	0	0	117.1	S455 S456	Q453-S455 PolarHBondContact O-N 3Å; Q453-S456 PolarHBondContact O-OG 3.33Å
454	I	39.4	Very low	42.2	Very low	107 Å²	107	109.1 Å²	109.1	55%	0.549	66%	0.664	S	S	.	*	H	α-helix	trans	-83.9	-8.4	-166.5	-62.1	175.8	0	0	0	114.8	S456 Q457 A458	I454-S456 PolarHBondContact O-N 3.41Å; I454-S456 VanDerWaalsContact O-N 3.15Å; I454-Q457 HydrophobicContact CG2-CB 4.22Å; I454-Q457 PolarHBondContact O-N 3.08Å; I454-A458 PolarHBondContact O-N 3.07Å
455	S	49.4	Very low	42.4	Very low	104 Å²	104	105 Å²	105	73%	0.727	65%	0.647	S	S	*	*	H	α-helix	trans	-62.6	-27.3	179.3	71.3	0	0	0	0	113.3	Q453	Q453-S455 PolarHBondContact O-N 3Å
456	S	50.4	Low	43	Very low	77 Å²	77	101.8 Å²	101.8	54%	0.538	63%	0.634	S	S	.	*	H	α-helix	trans	-82.7	-31.4	173.2	55.5	0	0	0	0	113.1	Q453 I454 S460	Q453-S456 PolarHBondContact O-OG 3.33Å; I454-S456 PolarHBondContact O-N 3.41Å; I454-S456 VanDerWaalsContact O-N 3.15Å; S456-S460 PolarHBondContact O-N 2.88Å; S456-S460 VanDerWaalsContact O-N 3.16Å
457	Q	45.9	Very low	43.4	Very low	115 Å²	115	101 Å²	101	54%	0.537	62%	0.62	S	S	.	*	H	α-helix	trans	-73.2	-31.2	176.5	-78.3	-179.5	3.3	0	0	113	I454 S460 A461	I454-Q457 HydrophobicContact CG2-CB 4.22Å; I454-Q457 PolarHBondContact O-N 3.08Å; Q457-S460 PolarHBondContact O-N 3.43Å; Q457-S460 PolarHBondContact O-OG 3.34Å; Q457-A461 WeakPolarHBondContact O-CB 3.43Å; Q457-A461 PolarHBondContact O-N 3.12Å
458	A	44	Very low	43.9	Very low	48 Å²	48	97.2 Å²	97.2	40%	0.397	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-38.9	174.9	0	0	0	0	0	111.9	I454 A461 I462	I454-A458 PolarHBondContact O-N 3.07Å; A458-A461 PolarHBondContact O-N 2.9Å; A458-I462 WeakPolarHBondContact O-CD1 3.45Å; A458-I462 VanDerWaalsContact O-CG1 3.29Å; A458-I462 WeakPolarHBondContact O-CG1 3.32Å; A458-I462 PolarHBondContact O-N 3.13Å; A458-I462 VanDerWaalsContact O-N 3.07Å
459	Q	47.4	Very low	44.3	Very low	134 Å²	134	92.3 Å²	92.3	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-69.6	-37.7	175.2	-81.8	167.8	-14.8	0	0	112.1	A461 I462 T463	Q459-A461 VanDerWaalsContact C-N 3.33Å; Q459-A461 PolarHBondContact O-N 3.19Å; Q459-I462 PolarHBondContact O-N 3.37Å; Q459-T463 PolarHBondContact O-N 3.01Å; Q459-T463 PolarHBondContact O-OG1 2.64Å
460	S	49.3	Very low	44.7	Very low	63 Å²	63	90.8 Å²	90.8	44%	0.441	59%	0.59	S	S	.	*	H	α-helix	trans	-66.6	-35.1	173.8	76.3	0	0	0	0	112.1	S456 Q457 T463 S464	S456-S460 PolarHBondContact O-N 2.88Å; S456-S460 VanDerWaalsContact O-N 3.16Å; Q457-S460 PolarHBondContact O-N 3.43Å; Q457-S460 PolarHBondContact O-OG 3.34Å; S460-T463 PolarHBondContact O-N 2.95Å; S460-S464 VanDerWaalsContact O-CB 3.29Å; S460-S464 WeakPolarHBondContact O-CB 3.12Å; S460-S464 PolarHBondContact O-N 3.08Å; S460-S464 PolarHBondContact O-OG 2.95Å
461	A	45.2	Very low	45.4	Very low	61 Å²	61	87.9 Å²	87.9	50%	0.504	58%	0.581	S	S	.	*	H	α-helix	trans	-67.1	-39.4	175.2	0	0	0	0	0	112.8	Q457 A458 Q459 S464 G465	Q457-A461 WeakPolarHBondContact O-CB 3.43Å; Q457-A461 PolarHBondContact O-N 3.12Å; A458-A461 PolarHBondContact O-N 2.9Å; Q459-A461 VanDerWaalsContact C-N 3.33Å; Q459-A461 PolarHBondContact O-N 3.19Å; A461-S464 PolarHBondContact O-N 3.33Å; A461-G465 PolarHBondContact O-N 2.87Å
462	I	47.2	Very low	46	Very low	125 Å²	125	86.1 Å²	86.1	64%	0.641	56%	0.563	S	S	*	*	H	α-helix	trans	-66.2	-41.6	174.8	-65.7	163.4	0	0	0	110.7	A458 Q459 G465 A466	A458-I462 WeakPolarHBondContact O-CD1 3.45Å; A458-I462 VanDerWaalsContact O-CG1 3.29Å; A458-I462 WeakPolarHBondContact O-CG1 3.32Å; A458-I462 PolarHBondContact O-N 3.13Å; A458-I462 VanDerWaalsContact O-N 3.07Å; Q459-I462 PolarHBondContact O-N 3.37Å; I462-G465 PolarHBondContact O-N 2.92Å; I462-A466 WeakPolarHBondContact O-CB 3.48Å; I462-A466 PolarHBondContact O-N 3.03Å
463	T	47.7	Very low	46.5	Very low	98 Å²	98	89.8 Å²	89.8	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-69	-37.3	179.2	-39.3	0	0	0	0	111.3	Q459 S460 A466 A467	Q459-T463 PolarHBondContact O-N 3.01Å; Q459-T463 PolarHBondContact O-OG1 2.64Å; S460-T463 PolarHBondContact O-N 2.95Å; T463-A466 PolarHBondContact O-N 3.03Å; T463-A467 PolarHBondContact O-N 2.89Å
464	S	47.9	Very low	47.2	Very low	76 Å²	76	93.1 Å²	93.1	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-70.5	-36.9	175.1	-53.7	0	0	0	0	112.2	S460 A461 A467 A468	S460-S464 VanDerWaalsContact O-CB 3.29Å; S460-S464 WeakPolarHBondContact O-CB 3.12Å; S460-S464 PolarHBondContact O-N 3.08Å; S460-S464 PolarHBondContact O-OG 2.95Å; A461-S464 PolarHBondContact O-N 3.33Å; S464-A467 PolarHBondContact O-N 3.27Å; S464-A468 PolarHBondContact O-N 3.28Å
465	G	43.1	Very low	48.7	Very low	43 Å²	43	96.8 Å²	96.8	44%	0.443	58%	0.583	S	S	.	*	H	α-helix	trans	-66.4	-38.7	173.1	0	0	0	0	0	112.8	A461 I462 A468 A469	A461-G465 PolarHBondContact O-N 2.87Å; I462-G465 PolarHBondContact O-N 2.92Å; G465-A468 PolarHBondContact O-N 3.12Å; G465-A469 PolarHBondContact O-N 2.99Å
466	A	43.4	Very low	50	Low	65 Å²	65	99.8 Å²	99.8	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-67.4	-35.6	174.8	0	0	0	0	0	112.5	I462 T463 A469	I462-A466 WeakPolarHBondContact O-CB 3.48Å; I462-A466 PolarHBondContact O-N 3.03Å; T463-A466 PolarHBondContact O-N 3.03Å; A466-A469 WeakPolarHBondContact O-CB 3.27Å; A466-A469 PolarHBondContact O-N 3.48Å
467	A	45.8	Very low	51.2	Low	66 Å²	66	107.7 Å²	107.7	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-70.9	-33.1	173.3	0	0	0	0	0	112.6	T463 S464 A469 S470	T463-A467 PolarHBondContact O-N 2.89Å; S464-A467 PolarHBondContact O-N 3.27Å; A467-A469 VanDerWaalsContact C-N 3.3Å; A467-S470 PolarHBondContact O-OG 3.13Å
468	A	44.6	Very low	52.8	Low	71 Å²	71	108.1 Å²	108.1	59%	0.587	60%	0.603	S	S	*	*	H	α-helix	trans	-69.7	-29.3	172	0	0	0	0	0	112.4	S464 G465 S470 G471	S464-A468 PolarHBondContact O-N 3.28Å; G465-A468 PolarHBondContact O-N 3.12Å; A468-S470 PolarHBondContact O-N 3.1Å; A468-G471 PolarHBondContact O-N 3.17Å
469	A	44	Very low	54.5	Low	38 Å²	38	111.1 Å²	111.1	31%	0.314	61%	0.612	S	S	.	*	H	α-helix	trans	-66.6	-20.7	178.8	0	0	0	0	0	113.8	G465 A466 A467 G471 M472	G465-A469 PolarHBondContact O-N 2.99Å; A466-A469 WeakPolarHBondContact O-CB 3.27Å; A466-A469 PolarHBondContact O-N 3.48Å; A467-A469 VanDerWaalsContact C-N 3.3Å; A469-G471 PolarHBondContact O-N 3.29Å; A469-G471 VanDerWaalsContact O-N 3.16Å; A469-M472 VanDerWaalsContact CA-SD 3.57Å; A469-M472 HydrophobicContact CB-SD 4.32Å; A469-M472 PolarHBondContact O-N 3.32Å
470	S	49	Very low	56.4	Low	111 Å²	111	106.3 Å²	106.3	78%	0.776	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-4.9	-178	68.5	0	0	0	0	114.4	A467 A468	A467-S470 PolarHBondContact O-OG 3.13Å; A468-S470 PolarHBondContact O-N 3.1Å
471	G	48.1	Very low	58.5	Low	62 Å²	62	105.7 Å²	105.7	64%	0.639	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	5.7	175.4	0	0	0	0	0	115.3	A468 A469 K473	A468-G471 PolarHBondContact O-N 3.17Å; A469-G471 PolarHBondContact O-N 3.29Å; A469-G471 VanDerWaalsContact O-N 3.16Å; G471-K473 PolarHBondContact O-N 3.46Å
472	M	48.1	Very low	60.7	Low	77 Å²	77	110.1 Å²	110.1	38%	0.379	59%	0.593	S	S	.	*			trans	-59.9	109.1	-174.1	-106.9	68.3	168.8	0	0	112.3	D423 G424 A469 R474	D423-M472 HydrophobicContact CB-CE 4.37Å; D423-M472 WeakPolarHBondContact O-CE 3.5Å; G424-M472 WeakPolarHBondContact O-CE 3.33Å; A469-M472 VanDerWaalsContact CA-SD 3.57Å; A469-M472 HydrophobicContact CB-SD 4.32Å; A469-M472 PolarHBondContact O-N 3.32Å; M472-R474 PolarHBondContact O-N 2.89Å
473	K	54.9	Low	62.9	Low	190 Å²	190	106 Å²	106	83%	0.826	58%	0.575	S	S	*	*			trans	-69	95.4	163.2	-73	-176.7	-178.2	176.8	0	108.5	G471 F475	G471-K473 PolarHBondContact O-N 3.46Å; K473-F475 PolarHBondContact O-N 3.24Å
474	R	56.2	Low	65.1	Low	224 Å²	224	109.3 Å²	109.3	85%	0.845	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-63.7	122.3	166.2	-74	-172.9	178.6	174.8	1.2	108.7	M472 K476	M472-R474 PolarHBondContact O-N 2.89Å; R474-K476 PolarHBondContact O-N 3.14Å
475	F	72.3	Confident	67.3	Low	185 Å²	185	108.7 Å²	108.7	81%	0.811	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-68.8	121.7	171	-69.9	-81.9	0	0	0	109.1	K473	K473-F475 PolarHBondContact O-N 3.24Å
476	K	75.2	Confident	69.8	Low	166 Å²	166	115.6 Å²	115.6	72%	0.722	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-94.5	121.8	175.6	-175	175.3	-179.8	177.8	0	108.9	R474 H478	R474-K476 PolarHBondContact O-N 3.14Å; K476-H478 PolarHBondContact O-CE1 2.86Å; K476-H478 PolarHBondContact O-ND1 3.32Å
477	W	75.3	Confident	72.2	Confident	243 Å²	243	113.7 Å²	113.7	92%	0.92	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.6	171.1	-66.8	92.3	0	0	0	110.4
478	H	80.8	Confident	74.6	Confident	125 Å²	125	118.5 Å²	118.5	58%	0.579	58%	0.578	S	S	*	*			trans	-123	143.3	174.6	-58.7	88	0	0	0	108.7	K476	K476-H478 PolarHBondContact O-CE1 2.86Å; K476-H478 PolarHBondContact O-ND1 3.32Å
479	L	79.3	Confident	77	Confident	111 Å²	111	119.1 Å²	119.1	58%	0.581	57%	0.572	S	S	*	*	S	Bend	trans	-72.2	134	171.5	-177.4	65.5	0	0	0	109	L541 D543	L479-L541 HydrophobicContact CB-CD2 4.41Å; L479-L541 HydrophobicContact CD2-CD2 3.91Å; L479-L541 HydrophobicContact CG-CD2 4.17Å; L479-L541 WeakPolarHBondContact O-CD1 3.45Å; L479-D543 WeakPolarHBondContact CD1-OD1 3.41Å
480	G	88	Confident	79.5	Confident	32 Å²	32	118.2 Å²	118.2	33%	0.33	56%	0.561	S	S	.	*	S	Bend	trans	53.4	-149.4	171.8	0	0	0	0	0	115.4	L542	G480-L542 VanDerWaalsContact CA-O 3.3Å; G480-L542 WeakPolarHBondContact CA-O 3.25Å
481	I	91.9	Very high	81.8	Confident	50 Å²	50	113.1 Å²	113.1	26%	0.256	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.4	172.8	64.8	177.6	0	0	0	110.7	L541 L542 F544 I646 L649	I481-L541 CarbonylContact O-C 3.57Å; I481-L541 WeakPolarHBondContact O-CA 3.44Å; I481-L541 WeakPolarHBondContact O-CD1 3.34Å; I481-L542 HydrophobicContact CD1-CB 4.48Å; I481-L542 HydrophobicContact CD1-CD2 4.05Å; I481-L542 HydrophobicContact CG1-CB 3.83Å; I481-L542 HydrophobicContact CG1-CD2 4.25Å; I481-L542 PolarHBondContact N-O 2.83Å; I481-L542 PolarHBondContact O-N 3.08Å; I481-F544 HydrophobicContact CD1-CE2 4.45Å; I481-F544 HydrophobicContact CD1-CZ 4.29Å; I481-F544 HydrophobicContact CG1-CE2 4.11Å; I481-F544 HydrophobicContact CG1-CZ 4.44Å; I481-F544 HydrophobicContact CG2-CE2 4.4Å; I481-I646 HydrophobicContact CG2-CD1 4.09Å; I481-I646 HydrophobicContact CG2-CG1 3.93Å; I481-I646 HydrophobicContact CG2-CG2 4.15Å; I481-L649 HydrophobicContact CD1-CD1 3.78Å
482	R	92.5	Very high	84.1	Confident	154 Å²	154	115.8 Å²	115.8	58%	0.581	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	146	-179.7	-67.4	-177.6	-179.4	-164.5	-2.6	111.4	Y540 L541	R482-Y540 CarbonylContact C-O 3.51Å; R482-Y540 VanDerWaalsContact CA-O 3.28Å; R482-Y540 WeakPolarHBondContact CA-O 3.42Å; R482-L541 HydrophobicContact CG-CB 4.45Å; R482-L541 HydrophobicContact CG-CD1 3.56Å
483	S	93.1	Very high	86.4	Confident	38 Å²	38	116 Å²	116	27%	0.266	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.6	173.3	179.3	0	0	0	0	111	S485 Y540	S483-S485 WeakPolarHBondContact OG-CB 3.42Å; S483-S485 PolarHBondContact OG-N 3.08Å; S483-S485 VanDerWaalsContact OG-N 3.12Å; S483-S485 PolarHBondContact OG-OG 2.67Å; S483-Y540 PolarHBondContact N-O 2.85Å; S483-Y540 PolarHBondContact O-N 3.25Å
484	Q	94.3	Very high	88.4	Confident	169 Å²	169	107 Å²	107	79%	0.79	48%	0.482	S	S	*	.			trans	-98.7	-1.2	172.9	-65.2	179.4	-8	0	0	112.4	R538	Q484-R538 WeakPolarHBondContact CA-O 3.36Å
485	S	94.4	Very high	90.3	Very high	63 Å²	63	99 Å²	99	44%	0.441	45%	0.453	S	S	.	.	S	Bend	trans	-66.2	164.2	175.2	-58.5	0	0	0	0	111.2	S483 I490 Y540	S483-S485 WeakPolarHBondContact OG-CB 3.42Å; S483-S485 PolarHBondContact OG-N 3.08Å; S483-S485 VanDerWaalsContact OG-N 3.12Å; S483-S485 PolarHBondContact OG-OG 2.67Å; S485-I490 VanDerWaalsContact O-CD1 3.3Å; S485-I490 WeakPolarHBondContact O-CD1 3.43Å; S485-Y540 VanDerWaalsContact O-CD2 3.31Å; S485-Y540 WeakPolarHBondContact O-CD2 3.19Å
486	R	94.6	Very high	91.5	Very high	188 Å²	188	96.1 Å²	96.1	71%	0.709	44%	0.441	S	S	*	.			trans	-66.4	148.2	178.4	-55.9	175.5	167.8	176.3	-2.6	109.8	W488 D489 I490	R486-W488 VanDerWaalsContact C-N 3.25Å; R486-W488 PolarHBondContact O-N 3.17Å; R486-W488 VanDerWaalsContact O-N 3.15Å; R486-D489 HydrophobicContact CB-CB 4.5Å; R486-D489 VanDerWaalsContact CB-OD2 3.29Å; R486-D489 WeakPolarHBondContact CB-OD2 3.21Å; R486-D489 WeakPolarHBondContact O-CB 3.27Å; R486-D489 PolarHBondContact O-N 3.44Å; R486-I490 WeakPolarHBondContact O-CG1 3.33Å; R486-I490 PolarHBondContact O-N 3.07Å
487	P	94.3	Very high	92.5	Very high	24 Å²	24	88.5 Å²	88.5	16%	0.156	41%	0.409	C	S	.	.	H	α-helix	trans	-53.2	-40.8	-176.8	-30.3	37	0	0	0	114.3	I490 M491 F511 L532 Y540	P487-I490 PolarHBondContact O-N 2.75Å; P487-M491 WeakPolarHBondContact O-CG 3.19Å; P487-M491 PolarHBondContact O-N 3.36Å; P487-F511 HydrophobicContact CB-CD1 4.38Å; P487-F511 HydrophobicContact CB-CE1 3.53Å; P487-F511 HydrophobicContact CB-CZ 3.98Å; P487-L532 HydrophobicContact CB-CD2 4.01Å; P487-Y540 HydrophobicContact CG-CD1 3.98Å; P487-Y540 HydrophobicContact CG-CD2 4.26Å; P487-Y540 HydrophobicContact CG-CE1 3.43Å; P487-Y540 VanDerWaalsContact CG-CE1 3.43Å; P487-Y540 HydrophobicContact CG-CE2 3.73Å; P487-Y540 HydrophobicContact CG-CG 4.37Å; P487-Y540 WeakPolarHBondContact CG-OH 3.35Å
488	W	95.4	Very high	93.5	Very high	167 Å²	167	77 Å²	77	63%	0.633	37%	0.365	S	S	*	.	H	α-helix	trans	-67.2	-40.4	179.2	-62.6	108.9	0	0	0	112.2	R486 M491 H492 P510 F511	R486-W488 VanDerWaalsContact C-N 3.25Å; R486-W488 PolarHBondContact O-N 3.17Å; R486-W488 VanDerWaalsContact O-N 3.15Å; W488-M491 PolarHBondContact O-N 2.87Å; W488-H492 WeakPolarHBondContact O-CB 3.28Å; W488-H492 PolarHBondContact O-N 3.37Å; W488-P510 HydrophobicContact CH2-CB 3.86Å; W488-P510 HydrophobicContact CH2-CG 4.34Å; W488-P510 HydrophobicContact CZ3-CB 3.93Å; W488-F511 HydrophobicContact CD2-CZ 4.47Å; W488-F511 HydrophobicContact CH2-CZ 4.34Å; W488-F511 HydrophobicContact CZ2-CZ 4.09Å
489	D	96.4	Very high	94.2	Very high	85 Å²	85	76.7 Å²	76.7	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-41.1	177.2	-54.3	-24.8	0	0	0	110.4	R486 H492 E493	R486-D489 HydrophobicContact CB-CB 4.5Å; R486-D489 VanDerWaalsContact CB-OD2 3.29Å; R486-D489 WeakPolarHBondContact CB-OD2 3.21Å; R486-D489 WeakPolarHBondContact O-CB 3.27Å; R486-D489 PolarHBondContact O-N 3.44Å; D489-H492 WeakPolarHBondContact O-CB 3.34Å; D489-H492 PolarHBondContact O-N 3.11Å; D489-E493 PolarHBondContact O-N 2.9Å
490	I	96.3	Very high	95	Very high	18 Å²	18	75.4 Å²	75.4	9%	0.092	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-52	175	-63.5	167	0	0	0	110.2	S485 R486 P487 H492 E493 V494 L532 Y540	S485-I490 VanDerWaalsContact O-CD1 3.3Å; S485-I490 WeakPolarHBondContact O-CD1 3.43Å; R486-I490 WeakPolarHBondContact O-CG1 3.33Å; R486-I490 PolarHBondContact O-N 3.07Å; P487-I490 PolarHBondContact O-N 2.75Å; I490-H492 VanDerWaalsContact C-N 3.29Å; I490-H492 PolarHBondContact O-N 2.82Å; I490-E493 PolarHBondContact O-N 3.02Å; I490-V494 HydrophobicContact CG2-CG2 4.45Å; I490-V494 VanDerWaalsContact O-CG2 3.28Å; I490-V494 WeakPolarHBondContact O-CG2 3.28Å; I490-V494 PolarHBondContact O-N 3.22Å; I490-L532 HydrophobicContact CB-CD2 4.47Å; I490-L532 HydrophobicContact CD1-CD1 4.4Å; I490-L532 HydrophobicContact CG2-CD1 3.84Å; I490-L532 HydrophobicContact CG2-CD2 4.42Å; I490-Y540 HydrophobicContact CD1-CD2 3.92Å; I490-Y540 HydrophobicContact CD1-CG 4.08Å
491	M	97	Very high	95.3	Very high	4 Å²	4	76 Å²	76	2%	0.02	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-35.5	-179.5	-68.3	-54.7	-59.2	0	0	112.1	P487 W488 V494 F495 F511 V513 L532	P487-M491 WeakPolarHBondContact O-CG 3.19Å; P487-M491 PolarHBondContact O-N 3.36Å; W488-M491 PolarHBondContact O-N 2.87Å; M491-V494 WeakPolarHBondContact O-CB 3.42Å; M491-V494 PolarHBondContact O-N 3.3Å; M491-F495 HydrophobicContact CB-CD2 4.46Å; M491-F495 HydrophobicContact CB-CE2 4.01Å; M491-F495 HydrophobicContact CE-CE1 4.44Å; M491-F495 HydrophobicContact CE-CE2 4.18Å; M491-F495 HydrophobicContact CE-CZ 3.83Å; M491-F495 WeakPolarHBondContact O-CD2 3Å; M491-F495 WeakPolarHBondContact O-CG 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å; M491-F511 HydrophobicContact CG-CD1 3.8Å; M491-F511 HydrophobicContact CG-CE1 4.22Å; M491-F511 HydrophobicContact SD-CD1 4.48Å; M491-V513 HydrophobicContact CE-CG2 3.58Å; M491-L532 HydrophobicContact CG-CD2 4.21Å; M491-L532 HydrophobicContact SD-CB 4.08Å; M491-L532 HydrophobicContact SD-CD2 4.23Å
492	H	96	Very high	95.3	Very high	118 Å²	118	76.4 Å²	76.4	55%	0.546	38%	0.38	S	S	.	.	H	α-helix	trans	-60.1	-48.8	175.2	-177.1	-90.7	0	0	0	112	W488 D489 I490 V494 F495 K496	W488-H492 WeakPolarHBondContact O-CB 3.28Å; W488-H492 PolarHBondContact O-N 3.37Å; D489-H492 WeakPolarHBondContact O-CB 3.34Å; D489-H492 PolarHBondContact O-N 3.11Å; I490-H492 VanDerWaalsContact C-N 3.29Å; I490-H492 PolarHBondContact O-N 2.82Å; H492-V494 VanDerWaalsContact C-N 3.31Å; H492-V494 PolarHBondContact O-N 3.04Å; H492-F495 PolarHBondContact O-N 2.89Å; H492-K496 WeakPolarHBondContact O-CB 3.36Å; H492-K496 PolarHBondContact O-N 3.19Å
493	E	96.5	Very high	95.5	Very high	83 Å²	83	69.4 Å²	69.4	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-35.1	176.2	-67.8	-50.5	118.2	0	0	112	D489 I490 K496 A497 L649	D489-E493 PolarHBondContact O-N 2.9Å; I490-E493 PolarHBondContact O-N 3.02Å; E493-K496 PolarHBondContact O-N 2.88Å; E493-K496 IonicContact OE2-NZ 3.02Å; E493-K496 PolarHBondContact OE2-NZ 3.14Å; E493-A497 VanDerWaalsContact O-CB 3.29Å; E493-A497 WeakPolarHBondContact O-CB 3.37Å; E493-A497 PolarHBondContact O-N 2.86Å; E493-L649 HydrophobicContact CB-CD2 4.11Å
494	V	96.6	Very high	95.6	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-47.9	172.2	171.3	0	0	0	0	111.6	I490 M491 H492 A497 M498 L530 L542 L649	I490-V494 HydrophobicContact CG2-CG2 4.45Å; I490-V494 VanDerWaalsContact O-CG2 3.28Å; I490-V494 WeakPolarHBondContact O-CG2 3.28Å; I490-V494 PolarHBondContact O-N 3.22Å; M491-V494 WeakPolarHBondContact O-CB 3.42Å; M491-V494 PolarHBondContact O-N 3.3Å; H492-V494 VanDerWaalsContact C-N 3.31Å; H492-V494 PolarHBondContact O-N 3.04Å; V494-A497 PolarHBondContact O-N 3.4Å; V494-M498 HydrophobicContact CG1-CE 3.93Å; V494-M498 HydrophobicContact CG1-SD 4.35Å; V494-M498 VanDerWaalsContact O-CG 3.32Å; V494-M498 WeakPolarHBondContact O-CG 3.2Å; V494-M498 PolarHBondContact O-N 3Å; V494-L530 HydrophobicContact CG1-CD1 3.66Å; V494-L542 HydrophobicContact CG2-CD2 3.63Å; V494-L649 HydrophobicContact CG2-CD1 4.07Å; V494-L649 HydrophobicContact CG2-CD2 4.19Å
495	F	96.9	Very high	95.7	Very high	54 Å²	54	68 Å²	68	24%	0.237	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-41.9	177.5	-67	-52.8	0	0	0	112.3	M491 H492 M498 N499 W505 V507 V513	M491-F495 HydrophobicContact CB-CD2 4.46Å; M491-F495 HydrophobicContact CB-CE2 4.01Å; M491-F495 HydrophobicContact CE-CE1 4.44Å; M491-F495 HydrophobicContact CE-CE2 4.18Å; M491-F495 HydrophobicContact CE-CZ 3.83Å; M491-F495 WeakPolarHBondContact O-CD2 3Å; M491-F495 WeakPolarHBondContact O-CG 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å; H492-F495 PolarHBondContact O-N 2.89Å; F495-M498 HydrophobicContact CD1-CE 3.37Å; F495-M498 HydrophobicContact CE1-CE 3.89Å; F495-M498 HydrophobicContact CG-CE 4.33Å; F495-M498 PolarHBondContact O-N 3.35Å; F495-N499 WeakPolarHBondContact O-CB 3.42Å; F495-N499 PolarHBondContact O-N 2.96Å; F495-W505 AromaticContact CD1-CE2 3.99Å; F495-W505 HydrophobicContact CD1-CZ2 4.45Å; F495-W505 AromaticContact CD1-NE1 3.6Å; F495-W505 AromaticContact CE1-CD1 3.97Å; F495-W505 AromaticContact CE1-NE1 3.86Å; F495-V507 HydrophobicContact CE1-CG2 4.1Å; F495-V507 HydrophobicContact CZ-CG2 4.09Å; F495-V513 HydrophobicContact CE1-CG1 4.19Å; F495-V513 HydrophobicContact CE1-CG2 3.7Å; F495-V513 HydrophobicContact CZ-CG2 3.83Å
496	K	96	Very high	95.8	Very high	126 Å²	126	72.2 Å²	72.2	55%	0.548	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-44.8	176.6	-176.5	-177	168.7	-161.5	0	111.9	H492 E493 N499 S500	H492-K496 WeakPolarHBondContact O-CB 3.36Å; H492-K496 PolarHBondContact O-N 3.19Å; E493-K496 PolarHBondContact O-N 2.88Å; E493-K496 IonicContact OE2-NZ 3.02Å; E493-K496 PolarHBondContact OE2-NZ 3.14Å; K496-N499 PolarHBondContact O-N 3.43Å; K496-S500 PolarHBondContact O-N 3.22Å
497	A	96.8	Very high	95.8	Very high	6 Å²	6	66.7 Å²	66.7	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-47.8	176.3	0	0	0	0	0	111.4	E493 V494 N499 S500 L501 L645 T648 L649	E493-A497 VanDerWaalsContact O-CB 3.29Å; E493-A497 WeakPolarHBondContact O-CB 3.37Å; E493-A497 PolarHBondContact O-N 2.86Å; V494-A497 PolarHBondContact O-N 3.4Å; A497-N499 VanDerWaalsContact C-N 3.33Å; A497-N499 PolarHBondContact O-N 3.01Å; A497-S500 PolarHBondContact O-N 3.24Å; A497-S500 PolarHBondContact O-OG 3.27Å; A497-L501 WeakPolarHBondContact O-CG 3.47Å; A497-L501 PolarHBondContact O-N 3.31Å; A497-L501 VanDerWaalsContact O-N 3.09Å; A497-L645 HydrophobicContact CB-CD1 3.72Å; A497-T648 HydrophobicContact CB-CG2 3.67Å; A497-L649 HydrophobicContact CB-CD2 3.85Å; A497-L649 HydrophobicContact CB-CG 4.03Å
498	M	96.3	Very high	95.6	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-41.6	176.1	-72.1	-171.1	-57.6	0	0	112.5	V494 F495 S500 L501 G502 Y503 W505 V513 V515 L530 L645	V494-M498 HydrophobicContact CG1-CE 3.93Å; V494-M498 HydrophobicContact CG1-SD 4.35Å; V494-M498 VanDerWaalsContact O-CG 3.32Å; V494-M498 WeakPolarHBondContact O-CG 3.2Å; V494-M498 PolarHBondContact O-N 3Å; F495-M498 HydrophobicContact CD1-CE 3.37Å; F495-M498 HydrophobicContact CE1-CE 3.89Å; F495-M498 HydrophobicContact CG-CE 4.33Å; F495-M498 PolarHBondContact O-N 3.35Å; M498-S500 VanDerWaalsContact C-N 3.34Å; M498-S500 PolarHBondContact O-N 2.79Å; M498-L501 PolarHBondContact O-N 3.31Å; M498-G502 PolarHBondContact O-N 2.79Å; M498-Y503 HydrophobicContact CB-CD2 4.45Å; M498-Y503 HydrophobicContact CG-CD2 4.07Å; M498-Y503 PolarHBondContact O-N 2.86Å; M498-W505 HydrophobicContact CB-CD2 4.46Å; M498-W505 HydrophobicContact CB-CE3 3.65Å; M498-W505 HydrophobicContact CB-CH2 4.33Å; M498-W505 HydrophobicContact CB-CZ3 3.56Å; M498-W505 HydrophobicContact CE-CB 4.37Å; M498-W505 HydrophobicContact CE-CD2 3.78Å; M498-W505 HydrophobicContact CE-CE3 4.03Å; M498-W505 HydrophobicContact CE-CG 3.92Å; M498-W505 HydrophobicContact SD-CB 4.47Å; M498-W505 HydrophobicContact SD-CD2 4.44Å; M498-W505 HydrophobicContact SD-CE3 4.27Å; M498-V513 HydrophobicContact CE-CG1 4.23Å; M498-V515 HydrophobicContact SD-CB 4.38Å; M498-V515 HydrophobicContact SD-CG1 3.93Å; M498-V515 HydrophobicContact SD-CG2 3.46Å; M498-V515 WeakPolarHBondContact SD-CG2 3.3Å; M498-L530 HydrophobicContact SD-CD1 3.73Å; M498-L645 HydrophobicContact CG-CD1 3.72Å; M498-L645 HydrophobicContact CG-CD2 4.24Å
499	N	95.8	Very high	95.4	Very high	119 Å²	119	64.4 Å²	64.4	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-44.2	175.9	-166.8	64.3	0	0	0	111.5	F495 K496 A497 L501 G502 W505	F495-N499 WeakPolarHBondContact O-CB 3.42Å; F495-N499 PolarHBondContact O-N 2.96Å; K496-N499 PolarHBondContact O-N 3.43Å; A497-N499 VanDerWaalsContact C-N 3.33Å; A497-N499 PolarHBondContact O-N 3.01Å; N499-L501 PolarHBondContact O-N 3.19Å; N499-G502 PolarHBondContact O-N 3.5Å; N499-W505 HydrophobicContact CB-CH2 3.76Å; N499-W505 HydrophobicContact CB-CZ3 4.36Å
500	S	95.2	Very high	95.2	Very high	84 Å²	84	63.6 Å²	63.6	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-65.4	-27.5	178.9	74.3	0	0	0	0	113.6	K496 A497 M498 G502	K496-S500 PolarHBondContact O-N 3.22Å; A497-S500 PolarHBondContact O-N 3.24Å; A497-S500 PolarHBondContact O-OG 3.27Å; M498-S500 VanDerWaalsContact C-N 3.34Å; M498-S500 PolarHBondContact O-N 2.79Å; S500-G502 VanDerWaalsContact C-N 3.35Å
501	L	94.3	Very high	95.1	Very high	45 Å²	45	65.7 Å²	65.7	24%	0.236	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.6	178.1	-67.4	170.6	0	0	0	113.3	A497 M498 N499 Y503 E644 L645	A497-L501 WeakPolarHBondContact O-CG 3.47Å; A497-L501 PolarHBondContact O-N 3.31Å; A497-L501 VanDerWaalsContact O-N 3.09Å; M498-L501 PolarHBondContact O-N 3.31Å; N499-L501 PolarHBondContact O-N 3.19Å; L501-Y503 VanDerWaalsContact C-N 3.25Å; L501-Y503 HydrophobicContact CB-CD1 3.69Å; L501-Y503 HydrophobicContact CB-CE1 3.67Å; L501-Y503 HydrophobicContact CB-CG 4.2Å; L501-Y503 HydrophobicContact CD1-CE1 4.32Å; L501-Y503 HydrophobicContact CD1-CE2 4.18Å; L501-Y503 WeakPolarHBondContact O-CD1 3.45Å; L501-Y503 PolarHBondContact O-N 2.87Å; L501-E644 HydrophobicContact CD1-CB 4.18Å; L501-E644 HydrophobicContact CD2-CB 4.24Å; L501-L645 HydrophobicContact CD1-CB 4.33Å; L501-L645 HydrophobicContact CD1-CD1 3.96Å
502	G	93.7	Very high	94.9	Very high	58 Å²	58	66.8 Å²	66.8	60%	0.598	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	27.5	-176.2	0	0	0	0	0	113.1	M498 N499 S500	M498-G502 PolarHBondContact O-N 2.79Å; N499-G502 PolarHBondContact O-N 3.5Å; S500-G502 VanDerWaalsContact C-N 3.35Å
503	Y	95.8	Very high	94.8	Very high	8 Å²	8	61.1 Å²	61.1	3%	0.031	33%	0.325	C	S	.	.			trans	-76.9	152	174.5	-70.6	9.5	0	0	0	109.5	M498 L501 W505 V515 K517 M641 E644 L645	M498-Y503 HydrophobicContact CB-CD2 4.45Å; M498-Y503 HydrophobicContact CG-CD2 4.07Å; M498-Y503 PolarHBondContact O-N 2.86Å; L501-Y503 VanDerWaalsContact C-N 3.25Å; L501-Y503 HydrophobicContact CB-CD1 3.69Å; L501-Y503 HydrophobicContact CB-CE1 3.67Å; L501-Y503 HydrophobicContact CB-CG 4.2Å; L501-Y503 HydrophobicContact CD1-CE1 4.32Å; L501-Y503 HydrophobicContact CD1-CE2 4.18Å; L501-Y503 WeakPolarHBondContact O-CD1 3.45Å; L501-Y503 PolarHBondContact O-N 2.87Å; Y503-W505 WeakPolarHBondContact O-CZ3 3.44Å; Y503-V515 HydrophobicContact CD2-CG1 3.57Å; Y503-V515 HydrophobicContact CE2-CG1 4.44Å; Y503-V515 HydrophobicContact CG-CG1 4.09Å; Y503-K517 HydrophobicContact CD1-CB 3.95Å; Y503-K517 HydrophobicContact CD1-CD 4.03Å; Y503-K517 HydrophobicContact CD1-CG 3.75Å; Y503-K517 HydrophobicContact CE1-CB 4.01Å; Y503-K517 HydrophobicContact CE1-CD 3.36Å; Y503-K517 HydrophobicContact CE1-CG 3.64Å; Y503-M641 HydrophobicContact CE2-CE 4.32Å; Y503-M641 WeakPolarHBondContact OH-CA 2.96Å; Y503-M641 PolarHBondContact OH-O 2.86Å; Y503-M641 VanDerWaalsContact OH-O 3.08Å; Y503-E644 PolarHBondContact OH-OE2 3.37Å; Y503-L645 HydrophobicContact CE2-CB 4.48Å
504	E	95.8	Very high	94.8	Very high	89 Å²	89	63.9 Å²	63.9	42%	0.416	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.9	171.9	-61.7	178.5	174.8	0	0	108.8	V515 R516	E504-V515 CarbonylContact O-C 3.6Å; E504-V515 WeakPolarHBondContact O-CA 3.19Å; E504-R516 HydrophobicContact CB-CG 3.85Å; E504-R516 PolarHBondContact N-O 3.2Å; E504-R516 PolarHBondContact O-N 3.01Å; E504-R516 IonicContact OE2-CZ 3.71Å; E504-R516 IonicContact OE2-NE 3.85Å; E504-R516 PolarHBondContact OE2-NE 2.92Å; E504-R516 IonicContact OE2-NH2 2.88Å; E504-R516 PolarHBondContact OE2-NH2 3.22Å
505	W	96.6	Very high	94.7	Very high	87 Å²	87	64 Å²	64	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.2	-176	61.1	87.3	0	0	0	114.2	F495 M498 N499 Y503 V513 R514 V515	F495-W505 AromaticContact CD1-CE2 3.99Å; F495-W505 HydrophobicContact CD1-CZ2 4.45Å; F495-W505 AromaticContact CD1-NE1 3.6Å; F495-W505 AromaticContact CE1-CD1 3.97Å; F495-W505 AromaticContact CE1-NE1 3.86Å; M498-W505 HydrophobicContact CB-CD2 4.46Å; M498-W505 HydrophobicContact CB-CE3 3.65Å; M498-W505 HydrophobicContact CB-CH2 4.33Å; M498-W505 HydrophobicContact CB-CZ3 3.56Å; M498-W505 HydrophobicContact CE-CB 4.37Å; M498-W505 HydrophobicContact CE-CD2 3.78Å; M498-W505 HydrophobicContact CE-CE3 4.03Å; M498-W505 HydrophobicContact CE-CG 3.92Å; M498-W505 HydrophobicContact SD-CB 4.47Å; M498-W505 HydrophobicContact SD-CD2 4.44Å; M498-W505 HydrophobicContact SD-CE3 4.27Å; N499-W505 HydrophobicContact CB-CH2 3.76Å; N499-W505 HydrophobicContact CB-CZ3 4.36Å; Y503-W505 WeakPolarHBondContact O-CZ3 3.44Å; W505-V513 HydrophobicContact CB-CG1 3.63Å; W505-V513 HydrophobicContact CG-CG1 4.04Å; W505-R514 CarbonylContact C-O 3.11Å; W505-R514 WeakPolarHBondContact CA-O 3.47Å; W505-R514 WeakPolarHBondContact CB-O 3.4Å; W505-V515 HydrophobicContact CB-CG2 4.32Å
506	K	96	Very high	94.6	Very high	153 Å²	153	66.4 Å²	66.4	67%	0.665	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.9	170.9	-177.4	176.2	-179.4	176.2	0	108.9	V508 R514	K506-V508 PolarHBondContact O-N 3.33Å; K506-R514 PolarHBondContact N-O 3.35Å; K506-R514 PolarHBondContact O-N 2.79Å
507	V	94.8	Very high	94.4	Very high	72 Å²	72	62.7 Å²	62.7	44%	0.436	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118	174.9	-176.3	0	0	0	0	108.5	F495 N509	F495-V507 HydrophobicContact CE1-CG2 4.1Å; F495-V507 HydrophobicContact CZ-CG2 4.09Å; V507-N509 WeakPolarHBondContact CG1-O 3.31Å
508	V	89.7	Confident	94.1	Very high	77 Å²	77	67.3 Å²	67.3	47%	0.467	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-41.9	174.8	-179.9	0	0	0	0	109.6	K506 N512 R514	K506-V508 PolarHBondContact O-N 3.33Å; V508-N512 HydrophobicContact CB-CB 4.22Å; V508-N512 WeakPolarHBondContact CB-OD1 3.45Å; V508-N512 PolarHBondContact N-O 3.5Å; V508-R514 HydrophobicContact CG2-CG 3.78Å
509	N	90.1	Very high	93.6	Very high	65 Å²	65	68.4 Å²	68.4	35%	0.348	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	171.5	166.8	70.6	54.9	0	0	0	108.6	V507 F511 N512	V507-N509 WeakPolarHBondContact CG1-O 3.31Å; N509-F511 PolarHBondContact O-N 3.25Å; N509-F511 PolarHBondContact OD1-N 3.46Å; N509-N512 PolarHBondContact N-O 2.85Å; N509-N512 VanDerWaalsContact ND2-CB 3.32Å; N509-N512 WeakPolarHBondContact ND2-CB 3.33Å; N509-N512 CarbonylContact O-C 3.58Å; N509-N512 PolarHBondContact O-N 2.79Å; N509-N512 WeakPolarHBondContact OD1-CB 3.42Å; N509-N512 PolarHBondContact OD1-N 3.01Å
510	P	92.8	Very high	92.9	Very high	68 Å²	68	66.6 Å²	66.6	44%	0.442	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.3	-174.5	-29.5	36.7	0	0	0	116.2	W488	W488-P510 HydrophobicContact CH2-CB 3.86Å; W488-P510 HydrophobicContact CH2-CG 4.34Å; W488-P510 HydrophobicContact CZ3-CB 3.93Å
511	F	94.1	Very high	92.3	Very high	63 Å²	63	69.8 Å²	69.8	28%	0.276	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	10	-177.3	-56.8	-59.5	0	0	0	112.9	P487 W488 M491 N509 Q531 L532	P487-F511 HydrophobicContact CB-CD1 4.38Å; P487-F511 HydrophobicContact CB-CE1 3.53Å; P487-F511 HydrophobicContact CB-CZ 3.98Å; W488-F511 HydrophobicContact CD2-CZ 4.47Å; W488-F511 HydrophobicContact CH2-CZ 4.34Å; W488-F511 HydrophobicContact CZ2-CZ 4.09Å; M491-F511 HydrophobicContact CG-CD1 3.8Å; M491-F511 HydrophobicContact CG-CE1 4.22Å; M491-F511 HydrophobicContact SD-CD1 4.48Å; N509-F511 PolarHBondContact O-N 3.25Å; N509-F511 PolarHBondContact OD1-N 3.46Å; F511-Q531 WeakPolarHBondContact O-CA 3.45Å; F511-Q531 PolarHBondContact O-NE2 3.09Å; F511-Q531 VanDerWaalsContact O-NE2 3.09Å; F511-L532 HydrophobicContact CB-CB 4.1Å; F511-L532 HydrophobicContact CD1-CB 4.41Å; F511-L532 HydrophobicContact CD1-CD2 3.82Å; F511-L532 HydrophobicContact CE1-CD2 4.33Å; F511-L532 PolarHBondContact O-N 2.75Å
512	N	92.9	Very high	91.6	Very high	26 Å²	26	71.4 Å²	71.4	14%	0.139	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.5	177.3	-174.1	-57.6	0	0	0	110	V508 N509 L530 Q531	V508-N512 HydrophobicContact CB-CB 4.22Å; V508-N512 WeakPolarHBondContact CB-OD1 3.45Å; V508-N512 PolarHBondContact N-O 3.5Å; N509-N512 PolarHBondContact N-O 2.85Å; N509-N512 VanDerWaalsContact ND2-CB 3.32Å; N509-N512 WeakPolarHBondContact ND2-CB 3.33Å; N509-N512 CarbonylContact O-C 3.58Å; N509-N512 PolarHBondContact O-N 2.79Å; N509-N512 WeakPolarHBondContact OD1-CB 3.42Å; N509-N512 PolarHBondContact OD1-N 3.01Å; N512-L530 WeakPolarHBondContact CA-O 3.37Å; N512-Q531 VanDerWaalsContact CB-OE1 3.26Å; N512-Q531 PolarHBondContact ND2-OE1 3.35Å
513	V	94.7	Very high	91	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.2	-174.6	-173.1	0	0	0	0	109.5	M491 F495 M498 W505 V515 V529 L530	M491-V513 HydrophobicContact CE-CG2 3.58Å; F495-V513 HydrophobicContact CE1-CG1 4.19Å; F495-V513 HydrophobicContact CE1-CG2 3.7Å; F495-V513 HydrophobicContact CZ-CG2 3.83Å; M498-V513 HydrophobicContact CE-CG1 4.23Å; W505-V513 HydrophobicContact CB-CG1 3.63Å; W505-V513 HydrophobicContact CG-CG1 4.04Å; V513-V515 HydrophobicContact CG1-CG2 4.03Å; V513-V529 WeakPolarHBondContact O-CA 3.4Å; V513-L530 HydrophobicContact CB-CB 4.44Å; V513-L530 PolarHBondContact N-O 2.73Å; V513-L530 PolarHBondContact O-N 3.3Å
514	R	95	Very high	90.3	Very high	140 Å²	140	76.5 Å²	76.5	53%	0.528	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.3	169.1	-71.7	-176.9	176.6	-166.7	-1.4	108.8	W505 K506 V508 V529	W505-R514 CarbonylContact C-O 3.11Å; W505-R514 WeakPolarHBondContact CA-O 3.47Å; W505-R514 WeakPolarHBondContact CB-O 3.4Å; K506-R514 PolarHBondContact N-O 3.35Å; K506-R514 PolarHBondContact O-N 2.79Å; V508-R514 HydrophobicContact CG2-CG 3.78Å; R514-V529 HydrophobicContact CG-CG2 4.24Å
515	V	95.1	Very high	89.9	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140	-173.3	-171.6	0	0	0	0	108.9	M498 Y503 E504 W505 V513 R527 L528 L530 M641	M498-V515 HydrophobicContact SD-CB 4.38Å; M498-V515 HydrophobicContact SD-CG1 3.93Å; M498-V515 HydrophobicContact SD-CG2 3.46Å; M498-V515 WeakPolarHBondContact SD-CG2 3.3Å; Y503-V515 HydrophobicContact CD2-CG1 3.57Å; Y503-V515 HydrophobicContact CE2-CG1 4.44Å; Y503-V515 HydrophobicContact CG-CG1 4.09Å; E504-V515 CarbonylContact O-C 3.6Å; E504-V515 WeakPolarHBondContact O-CA 3.19Å; W505-V515 HydrophobicContact CB-CG2 4.32Å; V513-V515 HydrophobicContact CG1-CG2 4.03Å; V515-R527 VanDerWaalsContact O-CA 3.27Å; V515-R527 WeakPolarHBondContact O-CA 3.18Å; V515-L528 HydrophobicContact CB-CD1 3.76Å; V515-L528 HydrophobicContact CB-CG 4.13Å; V515-L528 HydrophobicContact CG2-CD1 3.82Å; V515-L528 PolarHBondContact N-O 3.12Å; V515-L528 PolarHBondContact O-N 3.12Å; V515-L530 HydrophobicContact CG2-CD1 3.82Å; V515-L530 HydrophobicContact CG2-CG 3.95Å; V515-M641 HydrophobicContact CG1-CE 4.36Å
516	R	94.3	Very high	89.5	Confident	105 Å²	105	72.2 Å²	72.2	40%	0.396	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	169.5	71.6	-179.9	-174.9	-177.4	3.2	110.7	E504 Y525 S526 R527	E504-R516 HydrophobicContact CB-CG 3.85Å; E504-R516 PolarHBondContact N-O 3.2Å; E504-R516 PolarHBondContact O-N 3.01Å; E504-R516 IonicContact OE2-CZ 3.71Å; E504-R516 IonicContact OE2-NE 3.85Å; E504-R516 PolarHBondContact OE2-NE 2.92Å; E504-R516 IonicContact OE2-NH2 2.88Å; E504-R516 PolarHBondContact OE2-NH2 3.22Å; R516-Y525 HydrophobicContact CB-CD1 4.19Å; R516-Y525 HydrophobicContact CG-CD1 3.98Å; R516-Y525 HydrophobicContact CG-CE1 4.36Å; R516-S526 CarbonylContact C-O 3.41Å; R516-S526 WeakPolarHBondContact CA-O 3.43Å; R516-R527 HydrophobicContact CB-CG 3.98Å
517	K	92.2	Very high	89.2	Confident	49 Å²	49	68.6 Å²	68.6	21%	0.213	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.9	173.9	-175.7	-163.6	-174.5	176.3	0	108.9	Y503 N519 Y525 S526 M641 E644	Y503-K517 HydrophobicContact CD1-CB 3.95Å; Y503-K517 HydrophobicContact CD1-CD 4.03Å; Y503-K517 HydrophobicContact CD1-CG 3.75Å; Y503-K517 HydrophobicContact CE1-CB 4.01Å; Y503-K517 HydrophobicContact CE1-CD 3.36Å; Y503-K517 HydrophobicContact CE1-CG 3.64Å; K517-N519 PolarHBondContact O-N 3.47Å; K517-Y525 CarbonylContact O-C 3.58Å; K517-Y525 WeakPolarHBondContact O-CA 3.36Å; K517-S526 PolarHBondContact N-O 3.15Å; K517-S526 PolarHBondContact O-N 3.32Å; K517-M641 HydrophobicContact CB-CE 3.72Å; K517-M641 HydrophobicContact CB-CG 4.43Å; K517-M641 HydrophobicContact CB-SD 4.12Å; K517-M641 HydrophobicContact CD-CG 4.19Å; K517-E644 IonicContact NZ-OE1 3.39Å; K517-E644 PolarHBondContact NZ-OE1 2.92Å; K517-E644 IonicContact NZ-OE2 2.69Å; K517-E644 PolarHBondContact NZ-OE2 3.12Å
518	W	90.8	Very high	89.1	Confident	102 Å²	102	65.2 Å²	65.2	39%	0.386	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.6	169.9	-179.8	-110.6	0	0	0	110.2	P520 Q523 Y525	W518-P520 WeakPolarHBondContact O-CD 3.37Å; W518-Q523 HydrophobicContact CH2-CB 4.15Å; W518-Q523 VanDerWaalsContact CH2-O 3.22Å; W518-Q523 WeakPolarHBondContact CH2-O 3.19Å; W518-Q523 HydrophobicContact CZ2-CB 4.09Å; W518-Y525 HydrophobicContact CB-CD1 4.34Å; W518-Y525 HydrophobicContact CB-CE1 3.99Å; W518-Y525 HydrophobicContact CE3-CD1 4.23Å; W518-Y525 AromaticContact CE3-CD2 3.61Å; W518-Y525 HydrophobicContact CE3-CD2 3.61Å; W518-Y525 HydrophobicContact CE3-CE1 4.12Å; W518-Y525 AromaticContact CE3-CE2 3.46Å; W518-Y525 HydrophobicContact CE3-CE2 3.46Å; W518-Y525 VanDerWaalsContact CE3-CE2 3.46Å; W518-Y525 AromaticContact CE3-CG 4Å; W518-Y525 HydrophobicContact CE3-CG 4Å; W518-Y525 AromaticContact CE3-CZ 3.73Å; W518-Y525 AromaticContact CZ3-CD2 3.8Å; W518-Y525 HydrophobicContact CZ3-CD2 3.8Å; W518-Y525 AromaticContact CZ3-CE2 3.7Å; W518-Y525 HydrophobicContact CZ3-CE2 3.7Å
519	N	85.1	Confident	89.3	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.3	169.4	-173.2	-24.7	0	0	0	108.6	K517 I521 L522 Q523 H524 E637	K517-N519 PolarHBondContact O-N 3.47Å; N519-I521 VanDerWaalsContact C-N 3.26Å; N519-I521 PolarHBondContact O-N 3.22Å; N519-I521 WeakPolarHBondContact OD1-CB 3.43Å; N519-I521 PolarHBondContact OD1-N 3Å; N519-L522 HydrophobicContact CB-CB 4.41Å; N519-L522 PolarHBondContact OD1-N 3.35Å; N519-Q523 VanDerWaalsContact O-CA 3.31Å; N519-Q523 WeakPolarHBondContact O-CA 3.46Å; N519-Q523 PolarHBondContact O-N 3.06Å; N519-H524 WeakPolarHBondContact CB-O 3.34Å; N519-H524 PolarHBondContact N-O 2.78Å; N519-H524 PolarHBondContact O-N 2.97Å; N519-E637 PolarHBondContact ND2-OE1 3.46Å
520	P	82.5	Confident	89.5	Confident	82 Å²	82	59.6 Å²	59.6	53%	0.532	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23	-177.8	28.7	-34.9	0	0	0	113	W518 Q523	W518-P520 WeakPolarHBondContact O-CD 3.37Å; P520-Q523 PolarHBondContact O-NE2 3.34Å
521	I	81.5	Confident	89.5	Confident	151 Å²	151	58 Å²	58	77%	0.774	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-46.7	-179.8	-57.7	174.3	0	0	0	109.8	N519	N519-I521 VanDerWaalsContact C-N 3.26Å; N519-I521 PolarHBondContact O-N 3.22Å; N519-I521 WeakPolarHBondContact OD1-CB 3.43Å; N519-I521 PolarHBondContact OD1-N 3Å
522	L	79.2	Confident	89.5	Confident	78 Å²	78	55.6 Å²	55.6	41%	0.408	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.1	-178.7	-62.3	-179.3	0	0	0	113.6	N519 H524 E637	N519-L522 HydrophobicContact CB-CB 4.41Å; N519-L522 PolarHBondContact OD1-N 3.35Å; L522-H524 VanDerWaalsContact C-N 3.26Å; L522-H524 HydrophobicContact CB-CB 4.47Å; L522-H524 PolarHBondContact O-N 3.17Å; L522-E637 HydrophobicContact CD1-CG 4.28Å; L522-E637 WeakPolarHBondContact CD1-OE1 3.39Å
523	Q	82.4	Confident	89.4	Confident	127 Å²	127	57.4 Å²	57.4	59%	0.593	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	46	-177.8	-64.3	-74.2	-52.9	0	0	111.9	W518 N519 P520	W518-Q523 HydrophobicContact CH2-CB 4.15Å; W518-Q523 VanDerWaalsContact CH2-O 3.22Å; W518-Q523 WeakPolarHBondContact CH2-O 3.19Å; W518-Q523 HydrophobicContact CZ2-CB 4.09Å; N519-Q523 VanDerWaalsContact O-CA 3.31Å; N519-Q523 WeakPolarHBondContact O-CA 3.46Å; N519-Q523 PolarHBondContact O-N 3.06Å; P520-Q523 PolarHBondContact O-NE2 3.34Å
524	H	81.5	Confident	89.3	Confident	47 Å²	47	63.2 Å²	63.2	22%	0.218	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.9	-171.5	-173.8	-82.4	0	0	0	113.1	N519 L522 E549 R629	N519-H524 WeakPolarHBondContact CB-O 3.34Å; N519-H524 PolarHBondContact N-O 2.78Å; N519-H524 PolarHBondContact O-N 2.97Å; L522-H524 VanDerWaalsContact C-N 3.26Å; L522-H524 HydrophobicContact CB-CB 4.47Å; L522-H524 PolarHBondContact O-N 3.17Å; H524-E549 IonicContact CE1-OE1 3.19Å; H524-E549 PolarHBondContact CE1-OE1 2.66Å; H524-E549 IonicContact CE1-OE2 2.86Å; H524-E549 PolarHBondContact CE1-OE2 3.08Å; H524-E549 VanDerWaalsContact NE2-CD 3.34Å; H524-E549 IonicContact NE2-OE1 3.37Å; H524-E549 PolarHBondContact NE2-OE1 3.18Å; H524-E549 IonicContact NE2-OE2 2.73Å; H524-E549 PolarHBondContact NE2-OE2 2.91Å; H524-E549 VanDerWaalsContact NE2-OE2 3.08Å; H524-R629 PolarHBondContact CD2-NH1 2.95Å; H524-R629 PolarHBondContact CE1-NH1 2.73Å; H524-R629 PolarHBondContact ND1-NH1 2.99Å; H524-R629 PolarHBondContact ND1-NH2 3.01Å; H524-R629 VanDerWaalsContact ND1-NH2 3.19Å; H524-R629 PolarHBondContact NE2-NH1 3.05Å
525	Y	87.5	Confident	88.8	Confident	72 Å²	72	59.6 Å²	59.6	28%	0.282	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.3	173	-77.6	-79.8	0	0	0	113.8	R516 K517 W518	R516-Y525 HydrophobicContact CB-CD1 4.19Å; R516-Y525 HydrophobicContact CG-CD1 3.98Å; R516-Y525 HydrophobicContact CG-CE1 4.36Å; K517-Y525 CarbonylContact O-C 3.58Å; K517-Y525 WeakPolarHBondContact O-CA 3.36Å; W518-Y525 HydrophobicContact CB-CD1 4.34Å; W518-Y525 HydrophobicContact CB-CE1 3.99Å; W518-Y525 HydrophobicContact CE3-CD1 4.23Å; W518-Y525 AromaticContact CE3-CD2 3.61Å; W518-Y525 HydrophobicContact CE3-CD2 3.61Å; W518-Y525 HydrophobicContact CE3-CE1 4.12Å; W518-Y525 AromaticContact CE3-CE2 3.46Å; W518-Y525 HydrophobicContact CE3-CE2 3.46Å; W518-Y525 VanDerWaalsContact CE3-CE2 3.46Å; W518-Y525 AromaticContact CE3-CG 4Å; W518-Y525 HydrophobicContact CE3-CG 4Å; W518-Y525 AromaticContact CE3-CZ 3.73Å; W518-Y525 AromaticContact CZ3-CD2 3.8Å; W518-Y525 HydrophobicContact CZ3-CD2 3.8Å; W518-Y525 AromaticContact CZ3-CE2 3.7Å; W518-Y525 HydrophobicContact CZ3-CE2 3.7Å
526	S	87.9	Confident	88.3	Confident	13 Å²	13	63.5 Å²	63.5	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.1	169.5	-66.3	0	0	0	0	110.2	R516 K517 E637 M641	R516-S526 CarbonylContact C-O 3.41Å; R516-S526 WeakPolarHBondContact CA-O 3.43Å; K517-S526 PolarHBondContact N-O 3.15Å; K517-S526 PolarHBondContact O-N 3.32Å; S526-E637 VanDerWaalsContact OG-CD 3.28Å; S526-E637 PolarHBondContact OG-OE1 2.89Å; S526-M641 WeakPolarHBondContact CB-SD 3.16Å
527	R	90.1	Very high	87.8	Confident	78 Å²	78	62.6 Å²	62.6	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.4	-171.2	-54.4	-170.5	-173.1	85.5	4.4	112.2	V515 R516 I547 E549	V515-R527 VanDerWaalsContact O-CA 3.27Å; V515-R527 WeakPolarHBondContact O-CA 3.18Å; R516-R527 HydrophobicContact CB-CG 3.98Å; R527-I547 HydrophobicContact CB-CB 4.09Å; R527-I547 HydrophobicContact CB-CD1 3.97Å; R527-I547 PolarHBondContact O-N 2.81Å; R527-E549 IonicContact CZ-OE1 3.04Å; R527-E549 IonicContact NH1-OE1 2.67Å; R527-E549 PolarHBondContact NH1-OE1 3.37Å; R527-E549 IonicContact NH2-OE1 2.64Å
528	L	92.5	Very high	87.6	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	165.3	173.2	64.5	79.4	0	0	0	111.5	V515 L530 K545 F638 M641	V515-L528 HydrophobicContact CB-CD1 3.76Å; V515-L528 HydrophobicContact CB-CG 4.13Å; V515-L528 HydrophobicContact CG2-CD1 3.82Å; V515-L528 PolarHBondContact N-O 3.12Å; V515-L528 PolarHBondContact O-N 3.12Å; L528-L530 HydrophobicContact CD1-CD1 4.46Å; L528-L530 HydrophobicContact CD1-CD2 3.48Å; L528-L530 VanDerWaalsContact CD1-CD2 3.48Å; L528-L530 HydrophobicContact CD1-CG 3.6Å; L528-K545 CarbonylContact C-O 3.55Å; L528-K545 VanDerWaalsContact CA-O 3.25Å; L528-K545 WeakPolarHBondContact CA-O 3.41Å; L528-K545 WeakPolarHBondContact CB-O 3.34Å; L528-F638 HydrophobicContact CB-CD2 4.24Å; L528-F638 HydrophobicContact CB-CE2 4.31Å; L528-M641 HydrophobicContact CD2-CB 3.69Å; L528-M641 HydrophobicContact CD2-CE 3.71Å; L528-M641 HydrophobicContact CD2-SD 4.29Å; L528-M641 HydrophobicContact CG-CE 3.87Å
529	V	92.4	Very high	87.6	Confident	23 Å²	23	65.6 Å²	65.6	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.8	169	-173.7	0	0	0	0	108.8	V513 R514 K545 I547	V513-V529 WeakPolarHBondContact O-CA 3.4Å; R514-V529 HydrophobicContact CG-CG2 4.24Å; V529-K545 HydrophobicContact CB-CB 4.27Å; V529-K545 PolarHBondContact N-O 2.77Å; V529-K545 PolarHBondContact O-N 3Å; V529-I547 HydrophobicContact CG2-CD1 3.63Å; V529-I547 HydrophobicContact CG2-CG1 3.65Å
530	L	94.5	Very high	88	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.9	167	-58.5	178	0	0	0	108.8	V494 M498 N512 V513 V515 L528 L542 D543 F544 L645	V494-L530 HydrophobicContact CG1-CD1 3.66Å; M498-L530 HydrophobicContact SD-CD1 3.73Å; N512-L530 WeakPolarHBondContact CA-O 3.37Å; V513-L530 HydrophobicContact CB-CB 4.44Å; V513-L530 PolarHBondContact N-O 2.73Å; V513-L530 PolarHBondContact O-N 3.3Å; V515-L530 HydrophobicContact CG2-CD1 3.82Å; V515-L530 HydrophobicContact CG2-CG 3.95Å; L528-L530 HydrophobicContact CD1-CD1 4.46Å; L528-L530 HydrophobicContact CD1-CD2 3.48Å; L528-L530 VanDerWaalsContact CD1-CD2 3.48Å; L528-L530 HydrophobicContact CD1-CG 3.6Å; L530-L542 HydrophobicContact CB-CD1 4.26Å; L530-D543 WeakPolarHBondContact CA-O 3.44Å; L530-F544 HydrophobicContact CD2-CD1 3.44Å; L530-F544 VanDerWaalsContact CD2-CD1 3.44Å; L530-F544 HydrophobicContact CD2-CE1 3.71Å; L530-F544 HydrophobicContact CD2-CG 4.08Å; L530-F544 HydrophobicContact CD2-CZ 4.48Å; L530-L645 HydrophobicContact CD1-CD2 3.62Å; L530-L645 HydrophobicContact CD2-CD2 4.03Å; L530-L645 HydrophobicContact CG-CD2 4.46Å
531	Q	93.4	Very high	88.5	Confident	35 Å²	35	63.2 Å²	63.2	16%	0.164	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122	176.9	177.9	63.7	63.9	0	0	110	F511 N512 Y533 D543	F511-Q531 WeakPolarHBondContact O-CA 3.45Å; F511-Q531 PolarHBondContact O-NE2 3.09Å; F511-Q531 VanDerWaalsContact O-NE2 3.09Å; N512-Q531 VanDerWaalsContact CB-OE1 3.26Å; N512-Q531 PolarHBondContact ND2-OE1 3.35Å; Q531-Y533 HydrophobicContact CB-CE2 3.93Å; Q531-Y533 HydrophobicContact CG-CD1 4.4Å; Q531-Y533 HydrophobicContact CG-CD2 3.95Å; Q531-Y533 HydrophobicContact CG-CE1 3.84Å; Q531-Y533 HydrophobicContact CG-CE2 3.36Å; Q531-Y533 HydrophobicContact CG-CG 4.45Å; Q531-D543 PolarHBondContact N-O 2.62Å; Q531-D543 VanDerWaalsContact N-O 3.09Å; Q531-D543 PolarHBondContact O-N 2.84Å
532	L	94.5	Very high	89.2	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.7	172.9	-167.6	72.4	0	0	0	109.7	P487 I490 M491 F511 L541 L542	P487-L532 HydrophobicContact CB-CD2 4.01Å; I490-L532 HydrophobicContact CB-CD2 4.47Å; I490-L532 HydrophobicContact CD1-CD1 4.4Å; I490-L532 HydrophobicContact CG2-CD1 3.84Å; I490-L532 HydrophobicContact CG2-CD2 4.42Å; M491-L532 HydrophobicContact CG-CD2 4.21Å; M491-L532 HydrophobicContact SD-CB 4.08Å; M491-L532 HydrophobicContact SD-CD2 4.23Å; F511-L532 HydrophobicContact CB-CB 4.1Å; F511-L532 HydrophobicContact CD1-CB 4.41Å; F511-L532 HydrophobicContact CD1-CD2 3.82Å; F511-L532 HydrophobicContact CE1-CD2 4.33Å; F511-L532 PolarHBondContact O-N 2.75Å; L532-L541 CarbonylContact C-O 3.6Å; L532-L541 WeakPolarHBondContact CA-O 3.16Å; L532-L542 HydrophobicContact CB-CD1 4.4Å; L532-L542 HydrophobicContact CD1-CB 4.13Å; L532-L542 HydrophobicContact CD1-CD1 4.24Å
533	Y	90.9	Very high	89.8	Confident	64 Å²	64	53.7 Å²	53.7	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.9	176	-69.2	-73.7	0	0	0	110.5	L193 Q531 Y540 L541 D543	L193-Y533 HydrophobicContact CD1-CD1 4.41Å; L193-Y533 HydrophobicContact CD1-CE1 3.56Å; Q531-Y533 HydrophobicContact CB-CE2 3.93Å; Q531-Y533 HydrophobicContact CG-CD1 4.4Å; Q531-Y533 HydrophobicContact CG-CD2 3.95Å; Q531-Y533 HydrophobicContact CG-CE1 3.84Å; Q531-Y533 HydrophobicContact CG-CE2 3.36Å; Q531-Y533 HydrophobicContact CG-CG 4.45Å; Y533-Y540 CarbonylContact O-C 3.47Å; Y533-Y540 WeakPolarHBondContact O-CA 3.5Å; Y533-Y540 WeakPolarHBondContact O-CB 3.2Å; Y533-L541 PolarHBondContact N-O 3.22Å; Y533-L541 PolarHBondContact O-N 3.33Å; Y533-D543 HydrophobicContact CD2-CB 3.98Å; Y533-D543 HydrophobicContact CE2-CB 3.81Å
534	Q	91.2	Very high	90.3	Very high	123 Å²	123	48.6 Å²	48.6	58%	0.575	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.2	166.2	-174.4	172.2	11.6	0	0	109	D536 Y540	Q534-D536 WeakPolarHBondContact CG-O 3.38Å; Q534-D536 PolarHBondContact NE2-O 2.73Å; Q534-Y540 HydrophobicContact CB-CD1 3.93Å; Q534-Y540 HydrophobicContact CB-CE1 3.87Å; Q534-Y540 HydrophobicContact CG-CD1 4.09Å; Q534-Y540 HydrophobicContact CG-CE1 3.72Å
535	V	85.5	Confident	90.5	Very high	64 Å²	64	48.7 Å²	48.7	39%	0.388	24%	0.236	S	C	.	.			trans	-91	-43.6	179.9	-178	0	0	0	0	110.5	S539 L541	V535-S539 PolarHBondContact N-O 3.35Å; V535-L541 HydrophobicContact CG2-CB 3.47Å; V535-L541 VanDerWaalsContact CG2-CB 3.47Å
536	D	84.3	Confident	90.3	Very high	84 Å²	84	47.5 Å²	47.5	45%	0.449	24%	0.237	S	C	.	.	S	Bend	trans	-147.3	-172.5	176.3	64.1	49.3	0	0	0	110.2	Q534 R538 S539	Q534-D536 WeakPolarHBondContact CG-O 3.38Å; Q534-D536 PolarHBondContact NE2-O 2.73Å; D536-R538 PolarHBondContact O-N 3.46Å; D536-R538 VanDerWaalsContact O-N 3.08Å; D536-R538 WeakPolarHBondContact OD1-CA 3.28Å; D536-R538 PolarHBondContact OD1-N 3.47Å; D536-S539 PolarHBondContact N-O 2.98Å; D536-S539 VanDerWaalsContact OD1-CB 3.3Å; D536-S539 WeakPolarHBondContact OD1-CB 3.45Å; D536-S539 PolarHBondContact OD1-N 3.17Å; D536-S539 VanDerWaalsContact OD2-CB 3.32Å; D536-S539 WeakPolarHBondContact OD2-CB 3.45Å
537	A	83	Confident	89.9	Confident	86 Å²	86	49 Å²	49	71%	0.711	24%	0.243	S	C	*	.	S	Bend	trans	-60.3	-19.7	-177	0	0	0	0	0	114.5
538	R	88.3	Confident	88.6	Confident	204 Å²	204	47.5 Å²	47.5	77%	0.77	24%	0.241	S	C	*	.	S	Bend	trans	-133.8	-0.3	-174.4	-62.5	-175.2	-179.8	-177.3	0.1	114.2	Q484 D536	Q484-R538 WeakPolarHBondContact CA-O 3.36Å; D536-R538 PolarHBondContact O-N 3.46Å; D536-R538 VanDerWaalsContact O-N 3.08Å; D536-R538 WeakPolarHBondContact OD1-CA 3.28Å; D536-R538 PolarHBondContact OD1-N 3.47Å
539	S	91.1	Very high	86.9	Confident	10 Å²	10	49.7 Å²	49.7	7%	0.07	25%	0.252	C	S	.	.			trans	-122.1	135.1	-178.3	-170.9	0	0	0	0	111.2	V535 D536	V535-S539 PolarHBondContact N-O 3.35Å; D536-S539 PolarHBondContact N-O 2.98Å; D536-S539 VanDerWaalsContact OD1-CB 3.3Å; D536-S539 WeakPolarHBondContact OD1-CB 3.45Å; D536-S539 PolarHBondContact OD1-N 3.17Å; D536-S539 VanDerWaalsContact OD2-CB 3.32Å; D536-S539 WeakPolarHBondContact OD2-CB 3.45Å
540	Y	94.2	Very high	84.6	Confident	41 Å²	41	51.3 Å²	51.3	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.2	174	-56.5	-82.7	0	0	0	110.2	R482 S483 S485 P487 I490 Y533 Q534	R482-Y540 CarbonylContact C-O 3.51Å; R482-Y540 VanDerWaalsContact CA-O 3.28Å; R482-Y540 WeakPolarHBondContact CA-O 3.42Å; S483-Y540 PolarHBondContact N-O 2.85Å; S483-Y540 PolarHBondContact O-N 3.25Å; S485-Y540 VanDerWaalsContact O-CD2 3.31Å; S485-Y540 WeakPolarHBondContact O-CD2 3.19Å; P487-Y540 HydrophobicContact CG-CD1 3.98Å; P487-Y540 HydrophobicContact CG-CD2 4.26Å; P487-Y540 HydrophobicContact CG-CE1 3.43Å; P487-Y540 VanDerWaalsContact CG-CE1 3.43Å; P487-Y540 HydrophobicContact CG-CE2 3.73Å; P487-Y540 HydrophobicContact CG-CG 4.37Å; P487-Y540 WeakPolarHBondContact CG-OH 3.35Å; I490-Y540 HydrophobicContact CD1-CD2 3.92Å; I490-Y540 HydrophobicContact CD1-CG 4.08Å; Y533-Y540 CarbonylContact O-C 3.47Å; Y533-Y540 WeakPolarHBondContact O-CA 3.5Å; Y533-Y540 WeakPolarHBondContact O-CB 3.2Å; Q534-Y540 HydrophobicContact CB-CD1 3.93Å; Q534-Y540 HydrophobicContact CB-CE1 3.87Å; Q534-Y540 HydrophobicContact CG-CD1 4.09Å; Q534-Y540 HydrophobicContact CG-CE1 3.72Å
541	L	93.1	Very high	82.1	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.7	179.4	175	73.9	0	0	0	109	L479 I481 R482 L532 Y533 V535	L479-L541 HydrophobicContact CB-CD2 4.41Å; L479-L541 HydrophobicContact CD2-CD2 3.91Å; L479-L541 HydrophobicContact CG-CD2 4.17Å; L479-L541 WeakPolarHBondContact O-CD1 3.45Å; I481-L541 CarbonylContact O-C 3.57Å; I481-L541 WeakPolarHBondContact O-CA 3.44Å; I481-L541 WeakPolarHBondContact O-CD1 3.34Å; R482-L541 HydrophobicContact CG-CB 4.45Å; R482-L541 HydrophobicContact CG-CD1 3.56Å; L532-L541 CarbonylContact C-O 3.6Å; L532-L541 WeakPolarHBondContact CA-O 3.16Å; Y533-L541 PolarHBondContact N-O 3.22Å; Y533-L541 PolarHBondContact O-N 3.33Å; V535-L541 HydrophobicContact CG2-CB 3.47Å; V535-L541 VanDerWaalsContact CG2-CB 3.47Å
542	L	94.9	Very high	79.6	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.7	169.3	-173.8	69.9	0	0	0	108.9	G480 I481 V494 L530 L532 F544 L649	G480-L542 VanDerWaalsContact CA-O 3.3Å; G480-L542 WeakPolarHBondContact CA-O 3.25Å; I481-L542 HydrophobicContact CD1-CB 4.48Å; I481-L542 HydrophobicContact CD1-CD2 4.05Å; I481-L542 HydrophobicContact CG1-CB 3.83Å; I481-L542 HydrophobicContact CG1-CD2 4.25Å; I481-L542 PolarHBondContact N-O 2.83Å; I481-L542 PolarHBondContact O-N 3.08Å; V494-L542 HydrophobicContact CG2-CD2 3.63Å; L530-L542 HydrophobicContact CB-CD1 4.26Å; L532-L542 HydrophobicContact CB-CD1 4.4Å; L532-L542 HydrophobicContact CD1-CB 4.13Å; L532-L542 HydrophobicContact CD1-CD1 4.24Å; L542-F544 HydrophobicContact CD2-CE2 4.35Å; L542-F544 HydrophobicContact CD2-CZ 4.06Å; L542-F544 HydrophobicContact CG-CE2 4.35Å; L542-L649 HydrophobicContact CD2-CD1 4.26Å
543	D	92.9	Very high	76.7	Confident	25 Å²	25	65 Å²	65	13%	0.134	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148	177.2	-174.6	38.6	0	0	0	111.5	L479 L530 Q531 Y533	L479-D543 WeakPolarHBondContact CD1-OD1 3.41Å; L530-D543 WeakPolarHBondContact CA-O 3.44Å; Q531-D543 PolarHBondContact N-O 2.62Å; Q531-D543 VanDerWaalsContact N-O 3.09Å; Q531-D543 PolarHBondContact O-N 2.84Å; Y533-D543 HydrophobicContact CD2-CB 3.98Å; Y533-D543 HydrophobicContact CE2-CB 3.81Å
544	F	92.4	Very high	74.1	Confident	20 Å²	20	64.2 Å²	64.2	9%	0.088	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.6	-177.7	-61.3	-108.6	0	0	0	108.8	I481 L530 L542 F638 C642 L645 I646	I481-F544 HydrophobicContact CD1-CE2 4.45Å; I481-F544 HydrophobicContact CD1-CZ 4.29Å; I481-F544 HydrophobicContact CG1-CE2 4.11Å; I481-F544 HydrophobicContact CG1-CZ 4.44Å; I481-F544 HydrophobicContact CG2-CE2 4.4Å; L530-F544 HydrophobicContact CD2-CD1 3.44Å; L530-F544 VanDerWaalsContact CD2-CD1 3.44Å; L530-F544 HydrophobicContact CD2-CE1 3.71Å; L530-F544 HydrophobicContact CD2-CG 4.08Å; L530-F544 HydrophobicContact CD2-CZ 4.48Å; L542-F544 HydrophobicContact CD2-CE2 4.35Å; L542-F544 HydrophobicContact CD2-CZ 4.06Å; L542-F544 HydrophobicContact CG-CE2 4.35Å; F544-F638 HydrophobicContact CB-CE2 4.27Å; F544-F638 HydrophobicContact CB-CZ 4.1Å; F544-F638 WeakPolarHBondContact O-CZ 3.29Å; F544-C642 HydrophobicContact CD1-CB 4.11Å; F544-C642 HydrophobicContact CE1-CB 4.49Å; F544-L645 HydrophobicContact CE1-CB 4.41Å; F544-L645 HydrophobicContact CE1-CD2 3.95Å; F544-L645 HydrophobicContact CE1-CG 4.46Å; F544-I646 HydrophobicContact CE1-CD1 4.46Å; F544-I646 HydrophobicContact CE1-CG1 4.11Å; F544-I646 HydrophobicContact CE2-CD1 4.16Å; F544-I646 HydrophobicContact CE2-CG1 4.13Å; F544-I646 HydrophobicContact CZ-CD1 3.99Å; F544-I646 HydrophobicContact CZ-CG1 3.55Å
545	K	85.7	Confident	71.5	Confident	50 Å²	50	64.8 Å²	64.8	22%	0.217	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.7	-177.9	-165.5	-177.9	177.9	-173.2	0	111.8	D170 G171 E172 L528 V529	D170-K545 WeakPolarHBondContact O-CE 3.32Å; D170-K545 PolarHBondContact O-NZ 3.43Å; G171-K545 VanDerWaalsContact O-CE 3.27Å; G171-K545 WeakPolarHBondContact O-CE 3.32Å; G171-K545 PolarHBondContact O-NZ 2.78Å; E172-K545 VanDerWaalsContact N-NZ 3.11Å; L528-K545 CarbonylContact C-O 3.55Å; L528-K545 VanDerWaalsContact CA-O 3.25Å; L528-K545 WeakPolarHBondContact CA-O 3.41Å; L528-K545 WeakPolarHBondContact CB-O 3.34Å; V529-K545 HydrophobicContact CB-CB 4.27Å; V529-K545 PolarHBondContact N-O 2.77Å; V529-K545 PolarHBondContact O-N 3Å
546	C	83.4	Confident	69.1	Low	46 Å²	46	64.8 Å²	64.8	31%	0.311	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.2	173.5	-172.7	0	0	0	0	110.3	F638	C546-F638 HydrophobicContact CB-CB 4.26Å; C546-F638 HydrophobicContact CB-CD1 4.32Å; C546-F638 HydrophobicContact CB-CD2 3.57Å; C546-F638 HydrophobicContact CB-CE2 3.94Å; C546-F638 HydrophobicContact CB-CG 3.77Å; C546-F638 HydrophobicContact CB-CZ 4.45Å; C546-F638 VanDerWaalsContact N-CE2 3.28Å
547	I	79.3	Confident	66.7	Low	44 Å²	44	62.9 Å²	62.9	23%	0.226	33%	0.333	C	S	.	.			trans	-96	115.5	168.7	-62.9	170.5	0	0	0	107.3	R527 V529 E549	R527-I547 HydrophobicContact CB-CB 4.09Å; R527-I547 HydrophobicContact CB-CD1 3.97Å; R527-I547 PolarHBondContact O-N 2.81Å; V529-I547 HydrophobicContact CG2-CD1 3.63Å; V529-I547 HydrophobicContact CG2-CG1 3.65Å; I547-E549 PolarHBondContact O-N 2.67Å
548	D	63.3	Low	64.6	Low	48 Å²	48	63.5 Å²	63.5	26%	0.257	32%	0.322	S	S	.	.			trans	-79.8	119.2	177.6	-157.9	-22.4	0	0	0	110.2	S550 Q551 Q634	D548-S550 PolarHBondContact O-N 3.14Å; D548-S550 PolarHBondContact OD1-N 2.89Å; D548-S550 PolarHBondContact OD1-OG 3.43Å; D548-S550 PolarHBondContact OD2-OG 3.4Å; D548-Q551 HydrophobicContact CB-CG 4.38Å; D548-Q551 WeakPolarHBondContact O-CB 3.48Å; D548-Q551 PolarHBondContact O-N 3.09Å; D548-Q634 VanDerWaalsContact CA-NE2 3.34Å; D548-Q634 PolarHBondContact OD1-NE2 2.91Å; D548-Q634 PolarHBondContact OD1-OE1 3.18Å
549	E	56.4	Low	62	Low	46 Å²	46	55.5 Å²	55.5	22%	0.215	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	179.8	-64.3	-161.7	116.9	0	0	112.9	H524 R527 I547 Q551 L552 E553 R629 Q634	H524-E549 IonicContact CE1-OE1 3.19Å; H524-E549 PolarHBondContact CE1-OE1 2.66Å; H524-E549 IonicContact CE1-OE2 2.86Å; H524-E549 PolarHBondContact CE1-OE2 3.08Å; H524-E549 VanDerWaalsContact NE2-CD 3.34Å; H524-E549 IonicContact NE2-OE1 3.37Å; H524-E549 PolarHBondContact NE2-OE1 3.18Å; H524-E549 IonicContact NE2-OE2 2.73Å; H524-E549 PolarHBondContact NE2-OE2 2.91Å; H524-E549 VanDerWaalsContact NE2-OE2 3.08Å; R527-E549 IonicContact CZ-OE1 3.04Å; R527-E549 IonicContact NH1-OE1 2.67Å; R527-E549 PolarHBondContact NH1-OE1 3.37Å; R527-E549 IonicContact NH2-OE1 2.64Å; I547-E549 PolarHBondContact O-N 2.67Å; E549-Q551 PolarHBondContact O-N 2.69Å; E549-Q551 VanDerWaalsContact O-N 3.13Å; E549-L552 PolarHBondContact O-N 2.64Å; E549-E553 PolarHBondContact O-N 2.97Å; E549-R629 IonicContact OE2-NH1 3.64Å; E549-R629 PolarHBondContact OE2-NH1 3.34Å; E549-Q634 VanDerWaalsContact N-NE2 3.14Å
550	S	45.5	Very low	59.3	Low	56 Å²	56	64.4 Å²	64.4	39%	0.392	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-19.7	171.1	62.6	0	0	0	0	112.5	D548 S554	D548-S550 PolarHBondContact O-N 3.14Å; D548-S550 PolarHBondContact OD1-N 2.89Å; D548-S550 PolarHBondContact OD1-OG 3.43Å; D548-S550 PolarHBondContact OD2-OG 3.4Å; S550-S554 WeakPolarHBondContact O-CA 3.36Å; S550-S554 WeakPolarHBondContact O-CB 3.36Å; S550-S554 PolarHBondContact O-N 3.1Å; S550-S554 PolarHBondContact O-OG 2.92Å; S550-S554 VanDerWaalsContact O-OG 3.07Å
551	Q	40.7	Very low	56.5	Low	84 Å²	84	69.7 Å²	69.7	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-74.7	-30.1	173.6	-66.3	-172.6	-12.3	0	0	112.9	D548 E549 S554	D548-Q551 HydrophobicContact CB-CG 4.38Å; D548-Q551 WeakPolarHBondContact O-CB 3.48Å; D548-Q551 PolarHBondContact O-N 3.09Å; E549-Q551 PolarHBondContact O-N 2.69Å; E549-Q551 VanDerWaalsContact O-N 3.13Å; Q551-S554 PolarHBondContact O-OG 3.25Å; Q551-S554 VanDerWaalsContact O-OG 3.08Å
552	L	40.2	Very low	54	Low	116 Å²	116	72.9 Å²	72.9	61%	0.607	38%	0.377	S	S	*	.	H	α-helix	trans	-84.9	-33.5	176.8	-148.7	77.1	0	0	0	111.7	E549 T556	E549-L552 PolarHBondContact O-N 2.64Å; L552-T556 PolarHBondContact O-OG1 3.35Å
553	E	33.7	Very low	51.2	Low	136 Å²	136	76.2 Å²	76.2	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-77.3	-27.1	171.6	-72.9	-168	161.1	0	0	112.4	E549 E555 T556 A557	E549-E553 PolarHBondContact O-N 2.97Å; E553-E555 VanDerWaalsContact C-N 3.29Å; E553-E555 PolarHBondContact O-N 2.98Å; E553-T556 CarbonylContact O-C 3.49Å; E553-T556 PolarHBondContact O-N 2.92Å; E553-A557 WeakPolarHBondContact O-CA 3.5Å; E553-A557 WeakPolarHBondContact O-CB 3.42Å; E553-A557 PolarHBondContact O-N 2.84Å
554	S	36.4	Very low	48.5	Very low	47 Å²	47	82 Å²	82	33%	0.329	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-31.9	174.7	64.6	0	0	0	0	112.4	S550 Q551 T556 M558	S550-S554 WeakPolarHBondContact O-CA 3.36Å; S550-S554 WeakPolarHBondContact O-CB 3.36Å; S550-S554 PolarHBondContact O-N 3.1Å; S550-S554 PolarHBondContact O-OG 2.92Å; S550-S554 VanDerWaalsContact O-OG 3.07Å; Q551-S554 PolarHBondContact O-OG 3.25Å; Q551-S554 VanDerWaalsContact O-OG 3.08Å; S554-T556 VanDerWaalsContact C-N 3.31Å; S554-M558 WeakPolarHBondContact O-CB 3.32Å; S554-M558 PolarHBondContact O-N 2.87Å
555	E	36.9	Very low	46	Very low	135 Å²	135	87.8 Å²	87.8	63%	0.631	46%	0.463	S	S	*	.	H	α-helix	trans	-68.2	-31.5	170	-72.1	-173.7	152.3	0	0	112.3	E553 G559	E553-E555 VanDerWaalsContact C-N 3.29Å; E553-E555 PolarHBondContact O-N 2.98Å; E555-G559 PolarHBondContact O-N 3.47Å
556	T	36.4	Very low	43.5	Very low	64 Å²	64	89.9 Å²	89.9	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-96.3	-26.4	-174.9	-44	0	0	0	0	113.4	L552 E553 S554 G559 R560	L552-T556 PolarHBondContact O-OG1 3.35Å; E553-T556 CarbonylContact O-C 3.49Å; E553-T556 PolarHBondContact O-N 2.92Å; S554-T556 VanDerWaalsContact C-N 3.31Å; T556-G559 CarbonylContact O-C 3.58Å; T556-G559 WeakPolarHBondContact O-CA 3.37Å; T556-G559 PolarHBondContact O-N 3.32Å; T556-R560 VanDerWaalsContact O-CB 3.31Å; T556-R560 WeakPolarHBondContact O-CB 3.46Å; T556-R560 WeakPolarHBondContact O-CG 3.04Å; T556-R560 PolarHBondContact O-N 3.38Å
557	A	34	Very low	40.9	Very low	44 Å²	44	92 Å²	92	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-99.7	-32.5	-176.4	0	0	0	0	0	111.3	E553 R560 L561	E553-A557 WeakPolarHBondContact O-CA 3.5Å; E553-A557 WeakPolarHBondContact O-CB 3.42Å; E553-A557 PolarHBondContact O-N 2.84Å; A557-R560 PolarHBondContact O-N 3.05Å; A557-L561 WeakPolarHBondContact O-CB 3.49Å; A557-L561 PolarHBondContact O-N 2.82Å
558	M	37.2	Very low	38.8	Very low	99 Å²	99	96 Å²	96	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-28.6	152.9	-75	-161.2	-95.1	0	0	110.3	S554 R562	S554-M558 WeakPolarHBondContact O-CB 3.32Å; S554-M558 PolarHBondContact O-N 2.87Å; M558-R562 WeakPolarHBondContact O-CB 3.3Å; M558-R562 WeakPolarHBondContact O-CD 3.3Å; M558-R562 WeakPolarHBondContact O-CG 3.19Å; M558-R562 PolarHBondContact O-N 2.86Å
559	G	33.6	Very low	37.4	Very low	36 Å²	36	97.3 Å²	97.3	37%	0.371	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-41.9	170.3	0	0	0	0	0	113.7	E555 T556 R562 S563	E555-G559 PolarHBondContact O-N 3.47Å; T556-G559 CarbonylContact O-C 3.58Å; T556-G559 WeakPolarHBondContact O-CA 3.37Å; T556-G559 PolarHBondContact O-N 3.32Å; G559-R562 CarbonylContact O-C 3.54Å; G559-R562 PolarHBondContact O-N 2.78Å; G559-S563 PolarHBondContact O-N 3.46Å
560	R	34.6	Very low	36.5	Very low	197 Å²	197	100.9 Å²	100.9	74%	0.743	55%	0.549	S	S	*	.	H	α-helix	trans	-83.4	-30.4	-174.9	-77.3	168.6	-171.3	-176.5	5.6	114.4	T556 A557 R562	T556-R560 VanDerWaalsContact O-CB 3.31Å; T556-R560 WeakPolarHBondContact O-CB 3.46Å; T556-R560 WeakPolarHBondContact O-CG 3.04Å; T556-R560 PolarHBondContact O-N 3.38Å; A557-R560 PolarHBondContact O-N 3.05Å; R560-R562 VanDerWaalsContact C-N 3.27Å
561	L	36.2	Very low	35.8	Very low	152 Å²	152	106 Å²	106	80%	0.796	57%	0.571	S	S	*	*	H	α-helix	trans	-75.7	-16.8	166.9	-83.3	149.3	0	0	0	112.3	A557	A557-L561 WeakPolarHBondContact O-CB 3.49Å; A557-L561 PolarHBondContact O-N 2.82Å
562	R	40.4	Very low	35.4	Very low	82 Å²	82	107.6 Å²	107.6	31%	0.309	59%	0.592	S	S	.	*	H	α-helix	trans	-102.2	-3.8	176.7	-64.8	177	175.1	177.5	-5.1	114.3	M558 G559 R560 N564 N565 M566	M558-R562 WeakPolarHBondContact O-CB 3.3Å; M558-R562 WeakPolarHBondContact O-CD 3.3Å; M558-R562 WeakPolarHBondContact O-CG 3.19Å; M558-R562 PolarHBondContact O-N 2.86Å; G559-R562 CarbonylContact O-C 3.54Å; G559-R562 PolarHBondContact O-N 2.78Å; R560-R562 VanDerWaalsContact C-N 3.27Å; R562-N564 PolarHBondContact O-N 2.8Å; R562-N565 CarbonylContact O-C 3.59Å; R562-N565 PolarHBondContact O-N 2.88Å; R562-N565 VanDerWaalsContact O-N 3.14Å; R562-M566 HydrophobicContact CB-CB 4.31Å; R562-M566 WeakPolarHBondContact O-CB 3.06Å; R562-M566 PolarHBondContact O-N 2.96Å
563	S	36.9	Very low	35	Very low	74 Å²	74	108 Å²	108	52%	0.517	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-15.3	177.3	-167.6	0	0	0	0	113.3	G559 S567	G559-S563 PolarHBondContact O-N 3.46Å; S563-S567 WeakPolarHBondContact O-CB 3.3Å
564	N	36.1	Very low	34.9	Very low	145 Å²	145	105.6 Å²	105.6	78%	0.775	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-14.1	172	-73.6	-4.1	0	0	0	113.5	R562	R562-N564 PolarHBondContact O-N 2.8Å
565	N	38.9	Very low	34.7	Very low	142 Å²	142	107 Å²	107	76%	0.759	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	9.3	-173.8	-70.3	2.1	0	0	0	114.2	R562	R562-N565 CarbonylContact O-C 3.59Å; R562-N565 PolarHBondContact O-N 2.88Å; R562-N565 VanDerWaalsContact O-N 3.14Å
566	M	34.2	Very low	34.6	Very low	94 Å²	94	107 Å²	107	46%	0.463	65%	0.646	S	S	.	*	S	Bend	trans	-143.7	31.4	174.6	-155.5	177	160	0	0	110.4	R562 V568	R562-M566 HydrophobicContact CB-CB 4.31Å; R562-M566 WeakPolarHBondContact O-CB 3.06Å; R562-M566 PolarHBondContact O-N 2.96Å; M566-V568 VanDerWaalsContact C-N 3.33Å; M566-V568 PolarHBondContact O-N 3.31Å
567	S	29	Very low	34.8	Very low	91 Å²	91	109.9 Å²	109.9	64%	0.636	67%	0.666	S	S	*	*			trans	-91.9	52.2	-179.4	169.4	0	0	0	0	111.5	S563	S563-S567 WeakPolarHBondContact O-CB 3.3Å
568	V	33.9	Very low	34.9	Very low	128 Å²	128	113.8 Å²	113.8	78%	0.776	69%	0.687	S	S	*	*	S	Bend	trans	-157.6	136.1	154.5	-142.1	0	0	0	0	105.8	M566	M566-V568 VanDerWaalsContact C-N 3.33Å; M566-V568 PolarHBondContact O-N 3.31Å
569	C	35.3	Very low	34.7	Very low	75 Å²	75	114 Å²	114	51%	0.507	71%	0.705	S	S	.	*	S	Bend	trans	88.6	51.6	172.9	-44.5	0	0	0	0	118.2
570	L	37.2	Very low	35	Very low	122 Å²	122	117 Å²	117	64%	0.639	73%	0.727	S	S	*	*	S	Bend	trans	-160.1	-9.9	145	-103.7	141.7	0	0	0	115.1
571	D	31	Very low	34.9	Very low	162 Å²	162	117.2 Å²	117.2	87%	0.866	74%	0.738	S	S	*	*			trans	-104.3	97.9	173	-71.6	-29.9	0	0	0	111.4
572	S	32.2	Very low	34.8	Very low	119 Å²	119	113.8 Å²	113.8	83%	0.832	74%	0.739	S	S	*	*			trans	177.1	79.7	155.6	-79.9	0	0	0	0	109.4
573	C	31.9	Very low	34.6	Very low	125 Å²	125	116 Å²	116	85%	0.845	76%	0.762	S	S	*	*			trans	-135.6	69.3	167.8	-78.3	0	0	0	0	108.6
574	G	31.5	Very low	34.4	Very low	84 Å²	84	117.3 Å²	117.3	87%	0.866	77%	0.771	S	S	*	*			trans	-147.7	69.5	172	0	0	0	0	0	108.4
575	G	32.4	Very low	34.2	Very low	77 Å²	77	115.7 Å²	115.7	79%	0.794	77%	0.767	S	S	*	*			trans	-122.1	102.4	-179.5	0	0	0	0	0	110.4
576	T	33.2	Very low	34	Very low	136 Å²	136	119.2 Å²	119.2	83%	0.834	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.1	139.4	165.3	37.2	0	0	0	0	111
577	P	42.2	Very low	34.1	Very low	124 Å²	124	119.7 Å²	119.7	81%	0.805	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.6	145.2	178.7	32.9	-31.7	0	0	0	111.6
578	P	34.8	Very low	34.3	Very low	125 Å²	125	126.3 Å²	126.3	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-101.1	168.6	169.5	36.8	-29	0	0	0	113
579	A	34.2	Very low	34.5	Very low	105 Å²	105	128.5 Å²	128.5	87%	0.868	80%	0.802	S	S	*	*			trans	93.1	134.1	174.6	0	0	0	0	0	115
580	A	38.5	Very low	34.5	Very low	99 Å²	99	128 Å²	128	82%	0.818	81%	0.81	S	S	*	*			cis	-154.8	163.5	21.4	0	0	0	0	0	112.2
581	M	32.5	Very low	34.4	Very low	201 Å²	201	127.8 Å²	127.8	99%	0.99	82%	0.819	S	S	*	*			trans	-61.2	150.2	179.8	-57	-174.3	-148.1	0	0	114.5
582	G	35.2	Very low	34.7	Very low	79 Å²	79	129.3 Å²	129.3	81%	0.814	82%	0.818	S	S	*	*			trans	173.2	116	163.8	0	0	0	0	0	111.9
583	T	34.7	Very low	34.9	Very low	129 Å²	129	128.7 Å²	128.7	79%	0.791	81%	0.813	S	S	*	*			trans	-77.1	155.1	-163.1	39.2	0	0	0	0	117.4
584	S	33.9	Very low	35.2	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	81%	0.805	S	S	*	*			trans	69.8	142.2	143.9	70.3	0	0	0	0	118.6
585	T	32.7	Very low	35.5	Very low	112 Å²	112	127.4 Å²	127.4	69%	0.687	80%	0.803	S	S	*	*			cis	-179.7	164.4	-2.4	24.1	0	0	0	0	107.4
586	Y	34.1	Very low	35.8	Very low	215 Å²	215	130.7 Å²	130.7	84%	0.843	81%	0.807	S	S	*	*			trans	72.5	138.9	160.1	-75.6	-78.8	0	0	0	117.6
587	S	36.4	Very low	36.1	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	80%	0.803	S	S	*	*			cis	-164.9	157.2	-1.9	-142.4	0	0	0	0	110.1
588	R	32.4	Very low	36	Very low	230 Å²	230	127.5 Å²	127.5	87%	0.868	81%	0.805	S	S	*	*			trans	-94.5	154.6	169.9	-102.6	-179.8	172.9	175.2	-2.4	110.6
589	D	38.1	Very low	36.3	Very low	174 Å²	174	125.8 Å²	125.8	93%	0.93	80%	0.801	S	S	*	*			trans	174.1	148.3	141.9	-80	-25.2	0	0	0	106.4
590	G	35.7	Very low	36.6	Very low	65 Å²	65	126.3 Å²	126.3	67%	0.67	80%	0.799	S	S	*	*			cis	147.5	96.9	10.9	0	0	0	0	0	109.8
591	S	35.3	Very low	37.3	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	80%	0.795	S	S	*	*			trans	47.7	149.4	138.9	54.6	0	0	0	0	126.2
592	F	37	Very low	37.7	Very low	194 Å²	194	123.7 Å²	123.7	85%	0.851	79%	0.786	S	S	*	*			trans	127.3	109.4	136.1	-117.8	-104.5	0	0	0	120.7
593	S	36.4	Very low	37.9	Very low	105 Å²	105	127 Å²	127	73%	0.734	79%	0.785	S	S	*	*			trans	19.1	153.3	144.5	74.1	0	0	0	0	128.2
594	G	37.9	Very low	38	Very low	64 Å²	64	125.5 Å²	125.5	66%	0.66	78%	0.779	S	S	*	*			trans	149.1	102.8	139.8	0	0	0	0	0	114.7
595	S	37.4	Very low	38.2	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	78%	0.777	S	S	*	*				74.1	136.3	98.8	-70	0	0	0	0	114.6
596	T	39.1	Very low	38.5	Very low	145 Å²	145	127.4 Å²	127.4	89%	0.89	78%	0.784	S	S	*	*			cis	180	156	26	22.3	0	0	0	0	110.6
597	G	39.4	Very low	38.6	Very low	71 Å²	71	120.4 Å²	120.4	73%	0.732	78%	0.777	S	S	*	*			trans	134.6	95.9	138.2	0	0	0	0	0	122.6
598	S	39.8	Very low	38.9	Very low	123 Å²	123	120.8 Å²	120.8	86%	0.86	78%	0.777	S	S	*	*			trans	46.6	149.6	134.1	62.7	0	0	0	0	123.1
599	A	41.1	Very low	38.9	Very low	88 Å²	88	116.9 Å²	116.9	73%	0.727	77%	0.774	S	S	*	*			cis	-173.9	151.1	-6	0	0	0	0	0	106.5
600	S	41.9	Very low	38.6	Very low	116 Å²	116	114.8 Å²	114.8	81%	0.811	77%	0.767	S	S	*	*				166.6	165.8	71.6	-84.3	0	0	0	0	110.6
601	P	52.4	Low	38.5	Very low	116 Å²	116	117.6 Å²	117.6	75%	0.753	77%	0.772	S	S	*	*			trans	-133.6	-175.1	-144.8	41.4	-23.7	0	0	0	117.4
602	T	41.3	Very low	38.3	Very low	130 Å²	130	121 Å²	121	80%	0.798	78%	0.775	S	S	*	*			trans	-175.2	113.1	143.2	20	0	0	0	0	110.8
603	N	39.2	Very low	37.9	Very low	149 Å²	149	121.1 Å²	121.1	80%	0.797	78%	0.775	S	S	*	*				71.6	133.3	106.8	-88.1	8.2	0	0	0	115.7
604	C	36.4	Very low	37.8	Very low	96 Å²	96	121.4 Å²	121.4	65%	0.649	78%	0.775	S	S	*	*			cis	-164.1	151.3	19.4	-97.8	0	0	0	0	111.6
605	S	39.1	Very low	37.3	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	79%	0.785	S	S	*	*			trans	61.1	138	136.8	-57	0	0	0	0	121.3
606	D	38.5	Very low	36.9	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	78%	0.779	S	S	*	*			cis	-167.1	142.9	-1.2	-82.5	-38.7	0	0	0	104.1
607	G	35	Very low	36.6	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	78%	0.78	S	S	*	*				129.1	157.3	58.1	0	0	0	0	0	109.7
608	P	42.7	Very low	36	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	78%	0.78	S	S	*	*				-139.7	-172.3	-117.5	35	-14.2	0	0	0	116.6
609	N	33.6	Very low	35.6	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	77%	0.774	S	S	*	*			trans	118.6	123.2	142.3	-67.5	-20.9	0	0	0	121.1
610	T	32.3	Very low	35	Very low	130 Å²	130	134.6 Å²	134.6	80%	0.798	78%	0.778	S	S	*	*			trans	-76.6	141.7	153.6	42.3	0	0	0	0	112.6
611	T	33.3	Very low	34.3	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	77%	0.771	S	S	*	*			trans	-164.9	117.9	156	32.7	0	0	0	0	108.5
612	E	30.6	Very low	33.2	Very low	188 Å²	188	136.9 Å²	136.9	88%	0.879	78%	0.776	S	S	*	*				74.4	132.6	96.9	-74.4	-166.4	151.1	0	0	117.4
613	F	28.4	Very low	32.6	Very low	198 Å²	198	140.2 Å²	140.2	87%	0.868	78%	0.782	S	S	*	*			trans	-44.4	172.8	171.7	-86	-92.6	0	0	0	115.5
614	P	34.4	Very low	32.1	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	78%	0.781	S	S	*	*			cis	-149.5	171.1	28	38.6	-14.9	0	0	0	119.9
615	R	28.5	Very low	31.9	Very low	232 Å²	232	140.2 Å²	140.2	88%	0.875	79%	0.787	S	S	*	*			trans	33	140.6	142.5	-67.7	-177.9	177.5	168.2	0.2	123.2
616	S	28.7	Very low	31.6	Very low	100 Å²	100	144 Å²	144	70%	0.699	80%	0.797	S	S	*	*			trans	93.8	113.5	146.5	75.3	0	0	0	0	117.2
617	F	32	Very low	31.7	Very low	207 Å²	207	143.7 Å²	143.7	91%	0.908	80%	0.796	S	S	*	*				-163.7	127.1	110.5	-101.2	-77.7	0	0	0	109.3
618	S	27.4	Very low	32	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	81%	0.805	S	S	*	*			trans	-81	151.4	178.7	58	0	0	0	0	112.4
619	A	30.5	Very low	32.4	Very low	88 Å²	88	150.5 Å²	150.5	73%	0.727	79%	0.786	S	S	*	*			trans	61.6	108.3	145.7	0	0	0	0	0	118.3
620	N	28.7	Very low	33.4	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	77%	0.771	S	S	*	*				-178.9	148.6	95.8	-119.7	-3.7	0	0	0	112.6
621	C	27.9	Very low	34.5	Very low	99 Å²	99	148.4 Å²	148.4	67%	0.669	77%	0.765	S	S	*	*			trans	87.4	106	150.2	-64.1	0	0	0	0	121.4
622	Q	29.6	Very low	35.5	Very low	181 Å²	181	152.4 Å²	152.4	85%	0.846	77%	0.766	S	S	*	*			trans	90.3	94.8	136.6	-69.8	176.6	-25.5	0	0	119.4
623	E	26.9	Very low	37.3	Very low	201 Å²	201	148 Å²	148	94%	0.939	75%	0.745	S	S	*	*			trans	-57.4	128.9	152.6	-68.6	176.4	145.9	0	0	110.7
624	V	30.2	Very low	39.5	Very low	127 Å²	127	140 Å²	140	77%	0.77	71%	0.711	S	S	*	*			trans	-116.9	133.3	167.8	-178.1	0	0	0	0	108.4
625	P	30.7	Very low	41.5	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-77.7	148.1	-169.3	-5.6	23.2	0	0	0	113.4	N627	P625-N627 PolarHBondContact O-N 2.91Å
626	I	33.2	Very low	44.1	Very low	174 Å²	174	131.7 Å²	131.7	89%	0.892	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-50.7	119.8	178.6	-64	163	0	0	0	111.8
627	N	40.1	Very low	46.7	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-79.3	122.2	-172.8	-143.6	-6.7	0	0	0	111.2	P625 R629	P625-N627 PolarHBondContact O-N 2.91Å; N627-R629 PolarHBondContact O-N 3.09Å
628	R	41.9	Very low	49.3	Very low	237 Å²	237	119 Å²	119	89%	0.894	61%	0.61	S	S	*	*			trans	-62	100	170.2	-79.8	-179.9	174.6	-179.6	-1.4	109	T630	R628-T630 PolarHBondContact O-N 2.94Å
629	R	51	Low	52.2	Low	87 Å²	87	119.2 Å²	119.2	33%	0.328	60%	0.598	S	S	.	*			trans	-64.2	121.8	177	-156.7	-179	-171.7	166.2	10.1	109.7	H524 E549 N627 H633 E637	H524-R629 PolarHBondContact CD2-NH1 2.95Å; H524-R629 PolarHBondContact CE1-NH1 2.73Å; H524-R629 PolarHBondContact ND1-NH1 2.99Å; H524-R629 PolarHBondContact ND1-NH2 3.01Å; H524-R629 VanDerWaalsContact ND1-NH2 3.19Å; H524-R629 PolarHBondContact NE2-NH1 3.05Å; E549-R629 IonicContact OE2-NH1 3.64Å; E549-R629 PolarHBondContact OE2-NH1 3.34Å; N627-R629 PolarHBondContact O-N 3.09Å; R629-H633 HydrophobicContact CG-CB 4.4Å; R629-E637 IonicContact CZ-OE2 2.67Å; R629-E637 IonicContact NE-OE2 2.62Å; R629-E637 IonicContact NH2-OE1 2.77Å; R629-E637 PolarHBondContact NH2-OE1 3.32Å; R629-E637 VanDerWaalsContact NH2-OE1 3.13Å; R629-E637 IonicContact NH2-OE2 3.84Å; R629-E637 PolarHBondContact NH2-OE2 3Å
630	T	55.1	Low	55	Low	78 Å²	78	119.7 Å²	119.7	48%	0.479	59%	0.586	S	S	.	*			trans	-77.5	135.8	173.8	56.4	0	0	0	0	109.7	R628 R632 H633	R628-T630 PolarHBondContact O-N 2.94Å; T630-R632 PolarHBondContact O-N 3.48Å; T630-H633 PolarHBondContact O-N 3.26Å; T630-H633 PolarHBondContact OG1-CE1 2.87Å; T630-H633 PolarHBondContact OG1-ND1 2.91Å
631	K	55.3	Low	58	Low	156 Å²	156	112.7 Å²	112.7	68%	0.678	55%	0.548	S	S	*	.	H	α-helix	trans	-42.9	-32.4	177	-73.8	-174.1	173.2	-172.9	0	114.5	H633 Q634 T635	K631-H633 VanDerWaalsContact C-N 3.29Å; K631-H633 PolarHBondContact O-N 3.21Å; K631-Q634 PolarHBondContact O-N 2.99Å; K631-T635 PolarHBondContact O-N 3.25Å; K631-T635 PolarHBondContact O-OG1 3.08Å
632	R	54.8	Low	61	Low	207 Å²	207	108.4 Å²	108.4	78%	0.781	52%	0.519	S	S	*	.	H	α-helix	trans	-54.8	-37.5	176.6	-168.8	176.6	179.3	175.3	-0.3	114	T630 M636	T630-R632 PolarHBondContact O-N 3.48Å; R632-M636 PolarHBondContact O-N 3Å
633	H	68	Low	64	Low	95 Å²	95	103.7 Å²	103.7	44%	0.44	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-44.3	-179.4	-70.3	96.1	0	0	0	111.2	R629 T630 K631 T635 M636 E637	R629-H633 HydrophobicContact CG-CB 4.4Å; T630-H633 PolarHBondContact O-N 3.26Å; T630-H633 PolarHBondContact OG1-CE1 2.87Å; T630-H633 PolarHBondContact OG1-ND1 2.91Å; K631-H633 VanDerWaalsContact C-N 3.29Å; K631-H633 PolarHBondContact O-N 3.21Å; H633-T635 PolarHBondContact O-N 3.42Å; H633-M636 PolarHBondContact O-N 2.95Å; H633-E637 WeakPolarHBondContact O-CG 3.28Å; H633-E637 PolarHBondContact O-N 3.46Å
634	Q	73.5	Confident	67.1	Low	30 Å²	30	97.2 Å²	97.2	14%	0.14	47%	0.472	C	S	.	.	H	α-helix	trans	-61.7	-41.4	179.3	-174.1	-174.9	35.4	0	0	112.6	D548 E549 K631 M636 E637 F638	D548-Q634 VanDerWaalsContact CA-NE2 3.34Å; D548-Q634 PolarHBondContact OD1-NE2 2.91Å; D548-Q634 PolarHBondContact OD1-OE1 3.18Å; E549-Q634 VanDerWaalsContact N-NE2 3.14Å; K631-Q634 PolarHBondContact O-N 2.99Å; Q634-M636 PolarHBondContact O-N 3.34Å; Q634-E637 PolarHBondContact O-N 3.41Å; Q634-F638 PolarHBondContact O-N 3.41Å
635	T	77.1	Confident	70.1	Confident	68 Å²	68	91.1 Å²	91.1	42%	0.417	44%	0.436	S	S	.	.	H	α-helix	trans	-62.4	-41.5	176.6	-56	0	0	0	0	112.1	K631 H633 F638 F639	K631-T635 PolarHBondContact O-N 3.25Å; K631-T635 PolarHBondContact O-OG1 3.08Å; H633-T635 PolarHBondContact O-N 3.42Å; T635-F638 PolarHBondContact O-N 2.8Å; T635-F639 HydrophobicContact CG2-CD2 3.95Å; T635-F639 HydrophobicContact CG2-CE2 3.49Å; T635-F639 VanDerWaalsContact CG2-CE2 3.49Å; T635-F639 HydrophobicContact CG2-CZ 4.43Å; T635-F639 WeakPolarHBondContact O-CD2 3.47Å; T635-F639 PolarHBondContact O-N 2.74Å
636	M	82.8	Confident	73.1	Confident	102 Å²	102	88.3 Å²	88.3	50%	0.502	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-45.4	177.2	-72.4	-58.1	-55.2	0	0	111.9	R632 H633 Q634 F638 F639 E640	R632-M636 PolarHBondContact O-N 3Å; H633-M636 PolarHBondContact O-N 2.95Å; Q634-M636 PolarHBondContact O-N 3.34Å; M636-F638 VanDerWaalsContact C-N 3.27Å; M636-F638 PolarHBondContact O-N 2.92Å; M636-F639 PolarHBondContact O-N 2.84Å; M636-E640 WeakPolarHBondContact O-CG 3.44Å; M636-E640 PolarHBondContact O-N 2.87Å
637	E	84.1	Confident	75.9	Confident	8 Å²	8	83 Å²	83	4%	0.037	39%	0.389	C	S	.	.	H	α-helix	trans	-60.8	-36.6	177.7	-69.7	176.9	96.2	0	0	112.4	N519 L522 S526 R629 H633 Q634 E640 M641	N519-E637 PolarHBondContact ND2-OE1 3.46Å; L522-E637 HydrophobicContact CD1-CG 4.28Å; L522-E637 WeakPolarHBondContact CD1-OE1 3.39Å; S526-E637 VanDerWaalsContact OG-CD 3.28Å; S526-E637 PolarHBondContact OG-OE1 2.89Å; R629-E637 IonicContact CZ-OE2 2.67Å; R629-E637 IonicContact NE-OE2 2.62Å; R629-E637 IonicContact NH2-OE1 2.77Å; R629-E637 PolarHBondContact NH2-OE1 3.32Å; R629-E637 VanDerWaalsContact NH2-OE1 3.13Å; R629-E637 IonicContact NH2-OE2 3.84Å; R629-E637 PolarHBondContact NH2-OE2 3Å; H633-E637 WeakPolarHBondContact O-CG 3.28Å; H633-E637 PolarHBondContact O-N 3.46Å; Q634-E637 PolarHBondContact O-N 3.41Å; E637-E640 PolarHBondContact O-N 2.95Å; E637-M641 WeakPolarHBondContact O-CG 3.36Å; E637-M641 PolarHBondContact O-N 3.28Å
638	F	87	Confident	78.4	Confident	32 Å²	32	77.1 Å²	77.1	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-47.5	172.3	167.7	-104.8	0	0	0	111.8	L528 F544 C546 Q634 T635 M636 M641 C642	L528-F638 HydrophobicContact CB-CD2 4.24Å; L528-F638 HydrophobicContact CB-CE2 4.31Å; F544-F638 HydrophobicContact CB-CE2 4.27Å; F544-F638 HydrophobicContact CB-CZ 4.1Å; F544-F638 WeakPolarHBondContact O-CZ 3.29Å; C546-F638 HydrophobicContact CB-CB 4.26Å; C546-F638 HydrophobicContact CB-CD1 4.32Å; C546-F638 HydrophobicContact CB-CD2 3.57Å; C546-F638 HydrophobicContact CB-CE2 3.94Å; C546-F638 HydrophobicContact CB-CG 3.77Å; C546-F638 HydrophobicContact CB-CZ 4.45Å; C546-F638 VanDerWaalsContact N-CE2 3.28Å; Q634-F638 PolarHBondContact O-N 3.41Å; T635-F638 PolarHBondContact O-N 2.8Å; M636-F638 VanDerWaalsContact C-N 3.27Å; M636-F638 PolarHBondContact O-N 2.92Å; F638-M641 PolarHBondContact O-N 3.39Å; F638-C642 WeakPolarHBondContact CE2-SG 3.41Å; F638-C642 VanDerWaalsContact CZ-SG 3.54Å; F638-C642 PolarHBondContact O-N 3.39Å; F638-C642 PolarHBondContact O-SG 2.87Å
639	F	88.1	Confident	80.8	Confident	110 Å²	110	68 Å²	68	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-36.7	179.1	-72.6	-55.6	0	0	0	113	T635 M636 C642 T643	T635-F639 HydrophobicContact CG2-CD2 3.95Å; T635-F639 HydrophobicContact CG2-CE2 3.49Å; T635-F639 VanDerWaalsContact CG2-CE2 3.49Å; T635-F639 HydrophobicContact CG2-CZ 4.43Å; T635-F639 WeakPolarHBondContact O-CD2 3.47Å; T635-F639 PolarHBondContact O-N 2.74Å; M636-F639 PolarHBondContact O-N 2.84Å; F639-C642 PolarHBondContact O-N 3.26Å; F639-T643 WeakPolarHBondContact O-CB 3.32Å; F639-T643 PolarHBondContact O-N 2.89Å; F639-T643 PolarHBondContact O-OG1 3.39Å
640	E	88.7	Confident	82.5	Confident	99 Å²	99	68.1 Å²	68.1	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-49.8	173.7	-73.1	172.5	179.5	0	0	110.9	M636 E637 C642 T643 E644	M636-E640 WeakPolarHBondContact O-CG 3.44Å; M636-E640 PolarHBondContact O-N 2.87Å; E637-E640 PolarHBondContact O-N 2.95Å; E640-C642 VanDerWaalsContact C-N 3.31Å; E640-C642 PolarHBondContact O-N 3.4Å; E640-T643 PolarHBondContact O-N 3.44Å; E640-E644 PolarHBondContact O-N 3.37Å
641	M	91.5	Very high	83.7	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-42.4	177.5	-74	-178.1	69.4	0	0	112.5	Y503 V515 K517 S526 L528 E637 F638 L645	Y503-M641 HydrophobicContact CE2-CE 4.32Å; Y503-M641 WeakPolarHBondContact OH-CA 2.96Å; Y503-M641 PolarHBondContact OH-O 2.86Å; Y503-M641 VanDerWaalsContact OH-O 3.08Å; V515-M641 HydrophobicContact CG1-CE 4.36Å; K517-M641 HydrophobicContact CB-CE 3.72Å; K517-M641 HydrophobicContact CB-CG 4.43Å; K517-M641 HydrophobicContact CB-SD 4.12Å; K517-M641 HydrophobicContact CD-CG 4.19Å; S526-M641 WeakPolarHBondContact CB-SD 3.16Å; L528-M641 HydrophobicContact CD2-CB 3.69Å; L528-M641 HydrophobicContact CD2-CE 3.71Å; L528-M641 HydrophobicContact CD2-SD 4.29Å; L528-M641 HydrophobicContact CG-CE 3.87Å; E637-M641 WeakPolarHBondContact O-CG 3.36Å; E637-M641 PolarHBondContact O-N 3.28Å; F638-M641 PolarHBondContact O-N 3.39Å; M641-L645 PolarHBondContact O-N 3.09Å
642	C	92.1	Very high	85.2	Confident	10 Å²	10	72.7 Å²	72.7	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-44.2	176.7	-66.3	0	0	0	0	111.5	F544 F638 F639 E640 L645 I646	F544-C642 HydrophobicContact CD1-CB 4.11Å; F544-C642 HydrophobicContact CE1-CB 4.49Å; F638-C642 WeakPolarHBondContact CE2-SG 3.41Å; F638-C642 VanDerWaalsContact CZ-SG 3.54Å; F638-C642 PolarHBondContact O-N 3.39Å; F638-C642 PolarHBondContact O-SG 2.87Å; F639-C642 PolarHBondContact O-N 3.26Å; E640-C642 VanDerWaalsContact C-N 3.31Å; E640-C642 PolarHBondContact O-N 3.4Å; C642-L645 PolarHBondContact O-N 3.34Å; C642-I646 HydrophobicContact CB-CD1 4.43Å; C642-I646 WeakPolarHBondContact O-CB 3.42Å; C642-I646 WeakPolarHBondContact O-CD1 3.48Å; C642-I646 WeakPolarHBondContact O-CG1 3.31Å; C642-I646 PolarHBondContact O-N 2.7Å
643	T	91.2	Very high	86.8	Confident	81 Å²	81	65.6 Å²	65.6	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-44.2	-177.7	-58.3	0	0	0	0	111.6	F639 E640 L645 I646 T647	F639-T643 WeakPolarHBondContact O-CB 3.32Å; F639-T643 PolarHBondContact O-N 2.89Å; F639-T643 PolarHBondContact O-OG1 3.39Å; E640-T643 PolarHBondContact O-N 3.44Å; T643-L645 VanDerWaalsContact C-N 3.34Å; T643-L645 PolarHBondContact O-N 3.17Å; T643-I646 PolarHBondContact O-N 3.02Å; T643-T647 HydrophobicContact CG2-CG2 4.2Å; T643-T647 VanDerWaalsContact O-CB 3.31Å; T643-T647 WeakPolarHBondContact O-CB 3.39Å; T643-T647 WeakPolarHBondContact O-CG2 3.5Å; T643-T647 PolarHBondContact O-N 3.06Å; T643-T647 PolarHBondContact O-OG1 3.42Å
644	E	93	Very high	87.8	Confident	65 Å²	65	63.9 Å²	63.9	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.3	-73.2	-179.6	-170.1	0	0	112	L501 Y503 K517 E640 T647 T648	L501-E644 HydrophobicContact CD1-CB 4.18Å; L501-E644 HydrophobicContact CD2-CB 4.24Å; Y503-E644 PolarHBondContact OH-OE2 3.37Å; K517-E644 IonicContact NZ-OE1 3.39Å; K517-E644 PolarHBondContact NZ-OE1 2.92Å; K517-E644 IonicContact NZ-OE2 2.69Å; K517-E644 PolarHBondContact NZ-OE2 3.12Å; E640-E644 PolarHBondContact O-N 3.37Å; E644-T647 WeakPolarHBondContact CA-OG1 3.39Å; E644-T647 PolarHBondContact O-OG1 3.32Å; E644-T648 WeakPolarHBondContact O-CB 3.46Å; E644-T648 PolarHBondContact O-N 3.39Å; E644-T648 PolarHBondContact O-OG1 2.9Å
645	L	93.4	Very high	88.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-44.7	179.6	-169.3	61.2	0	0	0	111.7	A497 M498 L501 Y503 L530 F544 M641 C642 T643 T648 L649	A497-L645 HydrophobicContact CB-CD1 3.72Å; M498-L645 HydrophobicContact CG-CD1 3.72Å; M498-L645 HydrophobicContact CG-CD2 4.24Å; L501-L645 HydrophobicContact CD1-CB 4.33Å; L501-L645 HydrophobicContact CD1-CD1 3.96Å; Y503-L645 HydrophobicContact CE2-CB 4.48Å; L530-L645 HydrophobicContact CD1-CD2 3.62Å; L530-L645 HydrophobicContact CD2-CD2 4.03Å; L530-L645 HydrophobicContact CG-CD2 4.46Å; F544-L645 HydrophobicContact CE1-CB 4.41Å; F544-L645 HydrophobicContact CE1-CD2 3.95Å; F544-L645 HydrophobicContact CE1-CG 4.46Å; M641-L645 PolarHBondContact O-N 3.09Å; C642-L645 PolarHBondContact O-N 3.34Å; T643-L645 VanDerWaalsContact C-N 3.34Å; T643-L645 PolarHBondContact O-N 3.17Å; L645-T648 PolarHBondContact O-N 3.03Å; L645-L649 HydrophobicContact CG-CD1 4.08Å; L645-L649 WeakPolarHBondContact O-CB 3.37Å; L645-L649 VanDerWaalsContact O-CG 3.3Å; L645-L649 WeakPolarHBondContact O-CG 3.44Å; L645-L649 PolarHBondContact O-N 3.02Å
646	I	92.6	Very high	89.4	Confident	59 Å²	59	65.8 Å²	65.8	30%	0.303	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-44.2	178.2	-69.3	166.8	0	0	0	111	I481 F544 C642 T643 T648 L649 A650	I481-I646 HydrophobicContact CG2-CD1 4.09Å; I481-I646 HydrophobicContact CG2-CG1 3.93Å; I481-I646 HydrophobicContact CG2-CG2 4.15Å; F544-I646 HydrophobicContact CE1-CD1 4.46Å; F544-I646 HydrophobicContact CE1-CG1 4.11Å; F544-I646 HydrophobicContact CE2-CD1 4.16Å; F544-I646 HydrophobicContact CE2-CG1 4.13Å; F544-I646 HydrophobicContact CZ-CD1 3.99Å; F544-I646 HydrophobicContact CZ-CG1 3.55Å; C642-I646 HydrophobicContact CB-CD1 4.43Å; C642-I646 WeakPolarHBondContact O-CB 3.42Å; C642-I646 WeakPolarHBondContact O-CD1 3.48Å; C642-I646 WeakPolarHBondContact O-CG1 3.31Å; C642-I646 PolarHBondContact O-N 2.7Å; T643-I646 PolarHBondContact O-N 3.02Å; I646-T648 VanDerWaalsContact C-N 3.32Å; I646-T648 PolarHBondContact O-N 3.15Å; I646-L649 PolarHBondContact O-N 2.98Å; I646-A650 WeakPolarHBondContact O-CB 3.43Å; I646-A650 PolarHBondContact O-N 3.45Å
647	T	92.1	Very high	89.8	Confident	63 Å²	63	63.4 Å²	63.4	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-33.6	179.2	51.8	0	0	0	0	112.2	T643 E644 R651	T643-T647 HydrophobicContact CG2-CG2 4.2Å; T643-T647 VanDerWaalsContact O-CB 3.31Å; T643-T647 WeakPolarHBondContact O-CB 3.39Å; T643-T647 WeakPolarHBondContact O-CG2 3.5Å; T643-T647 PolarHBondContact O-N 3.06Å; T643-T647 PolarHBondContact O-OG1 3.42Å; E644-T647 WeakPolarHBondContact CA-OG1 3.39Å; E644-T647 PolarHBondContact O-OG1 3.32Å; T647-R651 WeakPolarHBondContact O-CG 3.29Å; T647-R651 PolarHBondContact O-N 3.39Å
648	T	93	Very high	90.2	Very high	28 Å²	28	67.4 Å²	67.4	17%	0.172	34%	0.342	C	S	.	.	H	α-helix	trans	-71.4	-37.9	174.5	-55.5	0	0	0	0	111.9	A497 E644 L645 I646 A650 R651	A497-T648 HydrophobicContact CB-CG2 3.67Å; E644-T648 WeakPolarHBondContact O-CB 3.46Å; E644-T648 PolarHBondContact O-N 3.39Å; E644-T648 PolarHBondContact O-OG1 2.9Å; L645-T648 PolarHBondContact O-N 3.03Å; I646-T648 VanDerWaalsContact C-N 3.32Å; I646-T648 PolarHBondContact O-N 3.15Å; T648-A650 VanDerWaalsContact C-N 3.32Å; T648-R651 PolarHBondContact O-N 2.96Å
649	L	91.4	Very high	90.5	Very high	46 Å²	46	70.1 Å²	70.1	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-72.5	-23.3	175.8	-73.9	170.5	0	0	0	113.9	I481 E493 V494 A497 L542 L645 I646	I481-L649 HydrophobicContact CD1-CD1 3.78Å; E493-L649 HydrophobicContact CB-CD2 4.11Å; V494-L649 HydrophobicContact CG2-CD1 4.07Å; V494-L649 HydrophobicContact CG2-CD2 4.19Å; A497-L649 HydrophobicContact CB-CD2 3.85Å; A497-L649 HydrophobicContact CB-CG 4.03Å; L542-L649 HydrophobicContact CD2-CD1 4.26Å; L645-L649 HydrophobicContact CG-CD1 4.08Å; L645-L649 WeakPolarHBondContact O-CB 3.37Å; L645-L649 VanDerWaalsContact O-CG 3.3Å; L645-L649 WeakPolarHBondContact O-CG 3.44Å; L645-L649 PolarHBondContact O-N 3.02Å; I646-L649 PolarHBondContact O-N 2.98Å
650	A	87.1	Confident	90.6	Very high	89 Å²	89	66.8 Å²	66.8	74%	0.736	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.7	177.5	0	0	0	0	0	113.4	I646 T648	I646-A650 WeakPolarHBondContact O-CB 3.43Å; I646-A650 PolarHBondContact O-N 3.45Å; T648-A650 VanDerWaalsContact C-N 3.32Å
651	R	81.6	Confident	90.8	Very high	256 Å²	256	63.8 Å²	63.8	97%	0.966	34%	0.336	S	S	*	.			trans	-88.5	0	172.4	-71	173.4	-176.7	178.6	2.1	109.7	T647 T648	T647-R651 WeakPolarHBondContact O-CG 3.29Å; T647-R651 PolarHBondContact O-N 3.39Å; T648-R651 PolarHBondContact O-N 2.96Å

Retrieved 651 of 651 residues in 1514.6 ms (Link to these results)

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