A0A3Q0KLU6_SCHMA Loading...

Putative syntaxin binding protein-1,2,3

AlphaFold DB (A0A5K4EMZ9), UniProt , Accession A0A3Q0KLU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 622 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	76.1	Confident	93	Very high	128 Å²	128	42.7 Å²	42.7	63%	0.631	21%	0.213	S	C	*	.				0	133.1	0	-177.6	-179.9	-81.5	0	0	106.3	Q5 A6 K9	M1-Q5 HydrophobicContact CG-CB 3.56Å; M1-Q5 HydrophobicContact SD-CB 4.5Å; M1-A6 HydrophobicContact CG-CB 4.33Å; M1-A6 VanDerWaalsContact SD-CA 3.56Å; M1-A6 HydrophobicContact SD-CB 3.86Å; M1-K9 HydrophobicContact CE-CD 4.04Å
2	S	90.4	Very high	93.3	Very high	20 Å²	20	41.3 Å²	41.3	14%	0.14	21%	0.206	C	C	.	.			trans	-73.3	162	176.1	71	0	0	0	0	111.4	K4 Q5 A6 S137	S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.4Å; S2-Q5 PolarHBondContact O-N 2.89Å; S2-Q5 WeakPolarHBondContact OG-CB 3.43Å; S2-Q5 VanDerWaalsContact OG-CG 3.23Å; S2-Q5 WeakPolarHBondContact OG-CG 3.49Å; S2-Q5 PolarHBondContact OG-N 3.03Å; S2-Q5 PolarHBondContact OG-OE1 3.29Å; S2-A6 PolarHBondContact O-N 3.04Å; S2-S137 WeakPolarHBondContact CA-O 3.48Å; S2-S137 WeakPolarHBondContact CB-OG 3.49Å
3	L	93.9	Very high	93.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-45	174.9	-73.1	174.2	0	0	0	112	Q5 A6 V7 F132 P134 S137 F140 L175 L179 I577	L3-Q5 VanDerWaalsContact C-N 3.33Å; L3-Q5 PolarHBondContact O-N 3.12Å; L3-A6 PolarHBondContact O-N 2.91Å; L3-V7 PolarHBondContact O-N 2.8Å; L3-F132 HydrophobicContact CD2-CE2 4.36Å; L3-P134 HydrophobicContact CB-CB 4.04Å; L3-S137 PolarHBondContact N-O 3.2Å; L3-F140 HydrophobicContact CD1-CB 4.11Å; L3-F140 HydrophobicContact CD1-CD1 4.5Å; L3-L175 HydrophobicContact CD2-CD1 3.73Å; L3-L179 HydrophobicContact CD2-CD1 4.31Å; L3-L179 HydrophobicContact CD2-CD2 3.76Å; L3-L179 HydrophobicContact CD2-CG 4.26Å; L3-I577 HydrophobicContact CD1-CG2 3.98Å; L3-I577 HydrophobicContact CD2-CD1 4.31Å
4	K	94	Very high	93.7	Very high	29 Å²	29	47.1 Å²	47.1	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-45.4	175.6	-72.8	-170.6	176.6	-159.3	0	112	S2 V7 A8 S40 P134 V135	S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.4Å; K4-V7 PolarHBondContact O-N 3.24Å; K4-A8 WeakPolarHBondContact O-CB 3.37Å; K4-A8 PolarHBondContact O-N 3.25Å; K4-S40 VanDerWaalsContact CE-OG 3.23Å; K4-S40 WeakPolarHBondContact CE-OG 3.25Å; K4-S40 PolarHBondContact NZ-OG 2.86Å; K4-P134 WeakPolarHBondContact CE-O 3.41Å; K4-P134 HydrophobicContact CG-CB 3.79Å; K4-V135 VanDerWaalsContact CE-C 3.47Å; K4-V135 WeakPolarHBondContact CE-O 3.44Å; K4-V135 PolarHBondContact NZ-O 3.36Å
5	Q	93.9	Very high	93.9	Very high	109 Å²	109	44.1 Å²	44.1	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-38.5	178.3	-73.5	169.5	-16.8	0	0	112.3	M1 S2 L3 K9	M1-Q5 HydrophobicContact CG-CB 3.56Å; M1-Q5 HydrophobicContact SD-CB 4.5Å; S2-Q5 PolarHBondContact O-N 2.89Å; S2-Q5 WeakPolarHBondContact OG-CB 3.43Å; S2-Q5 VanDerWaalsContact OG-CG 3.23Å; S2-Q5 WeakPolarHBondContact OG-CG 3.49Å; S2-Q5 PolarHBondContact OG-N 3.03Å; S2-Q5 PolarHBondContact OG-OE1 3.29Å; L3-Q5 VanDerWaalsContact C-N 3.33Å; L3-Q5 PolarHBondContact O-N 3.12Å; Q5-K9 WeakPolarHBondContact O-CB 3.31Å; Q5-K9 PolarHBondContact O-N 2.96Å
6	A	94.1	Very high	94.1	Very high	16 Å²	16	41.9 Å²	41.9	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-47	177.8	0	0	0	0	0	111.3	M1 S2 L3 K10 T178	M1-A6 HydrophobicContact CG-CB 4.33Å; M1-A6 VanDerWaalsContact SD-CA 3.56Å; M1-A6 HydrophobicContact SD-CB 3.86Å; S2-A6 PolarHBondContact O-N 3.04Å; L3-A6 PolarHBondContact O-N 2.91Å; A6-K10 PolarHBondContact O-N 3.14Å; A6-K10 VanDerWaalsContact O-N 3.09Å; A6-T178 HydrophobicContact CB-CG2 4.15Å
7	V	96.5	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.2	-43.4	178.4	177.2	0	0	0	0	111.7	L3 K4 K9 K10 L11 I37 I130 F132 P134 T178	L3-V7 PolarHBondContact O-N 2.8Å; K4-V7 PolarHBondContact O-N 3.24Å; V7-K9 VanDerWaalsContact C-N 3.31Å; V7-K9 PolarHBondContact O-N 3.42Å; V7-K10 PolarHBondContact O-N 3.31Å; V7-K10 VanDerWaalsContact O-N 3.11Å; V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 WeakPolarHBondContact O-CG 3.12Å; V7-L11 PolarHBondContact O-N 2.91Å; V7-I37 HydrophobicContact CG1-CG2 3.56Å; V7-I130 HydrophobicContact CG1-CB 4.42Å; V7-I130 HydrophobicContact CG1-CG2 4.22Å; V7-I130 HydrophobicContact CG2-CG2 4.48Å; V7-F132 HydrophobicContact CG2-CE1 4.29Å; V7-F132 HydrophobicContact CG2-CE2 4.08Å; V7-F132 HydrophobicContact CG2-CZ 3.58Å; V7-P134 HydrophobicContact CB-CG 3.95Å; V7-P134 HydrophobicContact CG1-CG 4.36Å; V7-P134 HydrophobicContact CG2-CG 3.57Å; V7-T178 HydrophobicContact CG2-CG2 4.11Å
8	A	95.8	Very high	94.3	Very high	17 Å²	17	45.8 Å²	45.8	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-45.8	174.8	0	0	0	0	0	111.6	K4 K10 L11 M12 C41	K4-A8 WeakPolarHBondContact O-CB 3.37Å; K4-A8 PolarHBondContact O-N 3.25Å; A8-K10 VanDerWaalsContact C-N 3.32Å; A8-K10 PolarHBondContact O-N 2.88Å; A8-L11 PolarHBondContact O-N 3Å; A8-M12 VanDerWaalsContact O-CG 3.28Å; A8-M12 WeakPolarHBondContact O-CG 3.49Å; A8-M12 PolarHBondContact O-N 2.63Å; A8-C41 HydrophobicContact CB-CB 4.02Å; A8-C41 WeakPolarHBondContact CB-O 3.22Å
9	K	95.4	Very high	94.4	Very high	112 Å²	112	44.7 Å²	44.7	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-45	176.2	-175.9	-178.4	176.2	-170.4	0	111	M1 Q5 V7 M12 D13	M1-K9 HydrophobicContact CE-CD 4.04Å; Q5-K9 WeakPolarHBondContact O-CB 3.31Å; Q5-K9 PolarHBondContact O-N 2.96Å; V7-K9 VanDerWaalsContact C-N 3.31Å; V7-K9 PolarHBondContact O-N 3.42Å; K9-M12 PolarHBondContact O-N 2.98Å; K9-D13 WeakPolarHBondContact CE-OD2 3.14Å; K9-D13 WeakPolarHBondContact CG-OD2 2.96Å; K9-D13 VanDerWaalsContact O-CB 3.25Å; K9-D13 WeakPolarHBondContact O-CB 3Å; K9-D13 PolarHBondContact O-N 2.78Å
10	K	95.4	Very high	94.3	Very high	32 Å²	32	49.3 Å²	49.3	14%	0.139	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-45.8	179.3	-151.9	174.3	-171.3	174.6	0	112.5	A6 V7 A8 M12 E14 I128 I130	A6-K10 PolarHBondContact O-N 3.14Å; A6-K10 VanDerWaalsContact O-N 3.09Å; V7-K10 PolarHBondContact O-N 3.31Å; V7-K10 VanDerWaalsContact O-N 3.11Å; A8-K10 VanDerWaalsContact C-N 3.32Å; A8-K10 PolarHBondContact O-N 2.88Å; K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 2.72Å; K10-E14 VanDerWaalsContact CE-CD 3.47Å; K10-E14 WeakPolarHBondContact CE-OE1 3.46Å; K10-E14 VanDerWaalsContact CE-OE2 3.24Å; K10-E14 WeakPolarHBondContact CE-OE2 3.23Å; K10-E14 VanDerWaalsContact CG-CD 3.45Å; K10-E14 HydrophobicContact CG-CG 4.14Å; K10-E14 VanDerWaalsContact CG-OE1 3.25Å; K10-E14 WeakPolarHBondContact CG-OE1 3.38Å; K10-E14 VanDerWaalsContact O-CB 3.31Å; K10-E14 WeakPolarHBondContact O-CB 3.09Å; K10-E14 PolarHBondContact O-N 2.69Å; K10-I128 HydrophobicContact CD-CG2 3.81Å; K10-I128 WeakPolarHBondContact CD-O 3.22Å; K10-I128 WeakPolarHBondContact CE-O 3.5Å; K10-I128 HydrophobicContact CG-CG2 3.85Å; K10-I128 PolarHBondContact NZ-O 2.97Å; K10-I130 HydrophobicContact CD-CG2 3.81Å
11	L	97.1	Very high	94.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.257	C	S	.	.	I	π-helix	trans	-57.2	-44.6	174.7	-70.3	170.9	0	0	0	111.7	V7 A8 I15 I16 I37 V38 C41 L72 I130	V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 WeakPolarHBondContact O-CG 3.12Å; V7-L11 PolarHBondContact O-N 2.91Å; A8-L11 PolarHBondContact O-N 3Å; L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 VanDerWaalsContact O-CB 3.29Å; L11-I15 WeakPolarHBondContact O-CB 3.5Å; L11-I15 PolarHBondContact O-N 3.19Å; L11-I16 PolarHBondContact O-N 2.89Å; L11-I16 VanDerWaalsContact O-N 3.1Å; L11-I37 HydrophobicContact CD1-CG2 4.22Å; L11-V38 HydrophobicContact CD1-CG2 4.18Å; L11-V38 HydrophobicContact CD2-CG2 4.42Å; L11-C41 HydrophobicContact CD1-CB 4.34Å; L11-L72 HydrophobicContact CD2-CD2 3.53Å; L11-I130 HydrophobicContact CD2-CD1 3.54Å; L11-I130 HydrophobicContact CG-CD1 4.29Å
12	M	96.5	Very high	94.8	Very high	26 Å²	26	52.7 Å²	52.7	13%	0.128	27%	0.267	C	S	.	.	I	π-helix	trans	-72.4	-50.7	-179	-65.4	-55	-65.3	0	0	112	A8 K9 K10 I16 I17 N50	A8-M12 VanDerWaalsContact O-CG 3.28Å; A8-M12 WeakPolarHBondContact O-CG 3.49Å; A8-M12 PolarHBondContact O-N 2.63Å; K9-M12 PolarHBondContact O-N 2.98Å; K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 2.72Å; M12-I16 HydrophobicContact CE-CG2 4.28Å; M12-I16 PolarHBondContact O-N 3.08Å; M12-I16 HydrophobicContact SD-CB 4.34Å; M12-I16 HydrophobicContact SD-CD1 3.74Å; M12-I17 HydrophobicContact CB-CD1 4Å; M12-I17 HydrophobicContact CB-CG1 4.46Å; M12-I17 HydrophobicContact CE-CD1 4.33Å; M12-I17 HydrophobicContact CE-CG1 4.18Å; M12-I17 VanDerWaalsContact O-CB 3.23Å; M12-I17 WeakPolarHBondContact O-CB 3.23Å; M12-I17 VanDerWaalsContact O-CG1 3.28Å; M12-I17 WeakPolarHBondContact O-CG1 3.35Å; M12-I17 PolarHBondContact O-N 3.43Å; M12-N50 HydrophobicContact CE-CB 4.15Å; M12-N50 WeakPolarHBondContact CE-ND2 3.32Å
13	D	96.3	Very high	94.5	Very high	81 Å²	81	61.8 Å²	61.8	43%	0.433	30%	0.304	S	S	.	.	I	π-helix	trans	-78	-29.1	-169.8	-68.4	-8.5	0	0	0	113.2	K9 P18	K9-D13 WeakPolarHBondContact CE-OD2 3.14Å; K9-D13 WeakPolarHBondContact CG-OD2 2.96Å; K9-D13 VanDerWaalsContact O-CB 3.25Å; K9-D13 WeakPolarHBondContact O-CB 3Å; K9-D13 PolarHBondContact O-N 2.78Å; D13-P18 WeakPolarHBondContact O-CD 3.33Å; D13-P18 WeakPolarHBondContact O-CG 3.46Å
14	E	96	Very high	94.4	Very high	83 Å²	83	63.8 Å²	63.8	39%	0.388	32%	0.315	S	S	.	.	I	π-helix	trans	-103.6	-24.7	-175.8	-60.8	-176.2	-158.9	0	0	113.8	K10 I128	K10-E14 VanDerWaalsContact CE-CD 3.47Å; K10-E14 WeakPolarHBondContact CE-OE1 3.46Å; K10-E14 VanDerWaalsContact CE-OE2 3.24Å; K10-E14 WeakPolarHBondContact CE-OE2 3.23Å; K10-E14 VanDerWaalsContact CG-CD 3.45Å; K10-E14 HydrophobicContact CG-CG 4.14Å; K10-E14 VanDerWaalsContact CG-OE1 3.25Å; K10-E14 WeakPolarHBondContact CG-OE1 3.38Å; K10-E14 VanDerWaalsContact O-CB 3.31Å; K10-E14 WeakPolarHBondContact O-CB 3.09Å; K10-E14 PolarHBondContact O-N 2.69Å; E14-I128 HydrophobicContact CB-CD1 3.74Å; E14-I128 WeakPolarHBondContact OE2-CD1 3.36Å
15	I	97.2	Very high	94.4	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	33%	0.334	C	S	.	.	I	π-helix	trans	-111.9	-65.3	-176	-50	-179.8	0	0	0	111.4	L11 L19 I70 L72 F100 I128	L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 VanDerWaalsContact O-CB 3.29Å; L11-I15 WeakPolarHBondContact O-CB 3.5Å; L11-I15 PolarHBondContact O-N 3.19Å; I15-L19 WeakPolarHBondContact O-CG 3.37Å; I15-I70 HydrophobicContact CG2-CG2 3.63Å; I15-L72 HydrophobicContact CD1-CD1 3.9Å; I15-L72 HydrophobicContact CD1-CD2 4.15Å; I15-F100 HydrophobicContact CB-CE1 4.39Å; I15-F100 HydrophobicContact CB-CZ 4.38Å; I15-F100 HydrophobicContact CD1-CB 4.26Å; I15-F100 HydrophobicContact CD1-CD1 4.41Å; I15-F100 HydrophobicContact CD1-CG 4.28Å; I15-F100 HydrophobicContact CG1-CD1 3.87Å; I15-F100 HydrophobicContact CG1-CE1 4.06Å; I15-F100 HydrophobicContact CG1-CG 4.11Å; I15-F100 HydrophobicContact CG2-CD1 4.47Å; I15-F100 HydrophobicContact CG2-CD2 3.77Å; I15-F100 HydrophobicContact CG2-CE1 4.39Å; I15-F100 HydrophobicContact CG2-CE2 3.72Å; I15-F100 HydrophobicContact CG2-CG 4.14Å; I15-F100 HydrophobicContact CG2-CZ 4.03Å; I15-I128 HydrophobicContact CD1-CD1 4.46Å; I15-I128 HydrophobicContact CD1-CG1 3.92Å; I15-I128 HydrophobicContact CD1-CG2 4.3Å; I15-I128 HydrophobicContact CG1-CD1 3.94Å; I15-I128 HydrophobicContact CG1-CG1 3.94Å
16	I	96.4	Very high	94.6	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.041	31%	0.31	C	S	.	.	I	π-helix	trans	-77.9	-54.2	-163.5	-63.4	172.6	0	0	0	111.7	L11 M12 L19 R20 I47 N50 I52	L11-I16 PolarHBondContact O-N 2.89Å; L11-I16 VanDerWaalsContact O-N 3.1Å; M12-I16 HydrophobicContact CE-CG2 4.28Å; M12-I16 PolarHBondContact O-N 3.08Å; M12-I16 HydrophobicContact SD-CB 4.34Å; M12-I16 HydrophobicContact SD-CD1 3.74Å; I16-L19 PolarHBondContact O-N 3.16Å; I16-R20 PolarHBondContact O-N 2.77Å; I16-I47 HydrophobicContact CD1-CG1 4.33Å; I16-I47 HydrophobicContact CD1-CG2 4.37Å; I16-N50 HydrophobicContact CG2-CB 3.55Å; I16-I52 HydrophobicContact CG2-CG1 4.27Å
17	I	95.9	Very high	94.8	Very high	76 Å²	76	63.1 Å²	63.1	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-44	-176.2	-64.3	170.5	0	0	0	111.8	M12 L19 R20	M12-I17 HydrophobicContact CB-CD1 4Å; M12-I17 HydrophobicContact CB-CG1 4.46Å; M12-I17 HydrophobicContact CE-CD1 4.33Å; M12-I17 HydrophobicContact CE-CG1 4.18Å; M12-I17 VanDerWaalsContact O-CB 3.23Å; M12-I17 WeakPolarHBondContact O-CB 3.23Å; M12-I17 VanDerWaalsContact O-CG1 3.28Å; M12-I17 WeakPolarHBondContact O-CG1 3.35Å; M12-I17 PolarHBondContact O-N 3.43Å; I17-L19 PolarHBondContact O-N 3.12Å; I17-R20 WeakPolarHBondContact O-CB 3.24Å; I17-R20 PolarHBondContact O-N 3.21Å; I17-R20 VanDerWaalsContact O-N 3.16Å
18	P	96.4	Very high	94.9	Very high	79 Å²	79	63.2 Å²	63.2	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-26.4	179.1	-26.6	36.8	0	0	0	114.7	D13	D13-P18 WeakPolarHBondContact O-CD 3.33Å; D13-P18 WeakPolarHBondContact O-CG 3.46Å
19	L	95.7	Very high	95	Very high	25 Å²	25	62.4 Å²	62.4	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-94.8	-5	-179.3	-65	-178.7	0	0	0	113.5	I15 I16 I17 K21 K26 I70 H98 F100	I15-L19 WeakPolarHBondContact O-CG 3.37Å; I16-L19 PolarHBondContact O-N 3.16Å; I17-L19 PolarHBondContact O-N 3.12Å; L19-K21 PolarHBondContact O-N 3.41Å; L19-K26 PolarHBondContact O-NZ 3.29Å; L19-I70 HydrophobicContact CB-CD1 4.13Å; L19-I70 HydrophobicContact CD1-CD1 3.69Å; L19-I70 HydrophobicContact CD1-CG1 3.82Å; L19-H98 HydrophobicContact CD1-CB 3.66Å; L19-F100 HydrophobicContact CD1-CE2 3.62Å; L19-F100 HydrophobicContact CD1-CZ 3.82Å
20	R	93.9	Very high	95.2	Very high	136 Å²	136	57.2 Å²	57.2	51%	0.513	28%	0.275	S	S	.	.			trans	-68.8	124.9	176.4	-176.1	-177.8	176.9	-178	-3.9	110.4	I16 I17 N50	I16-R20 PolarHBondContact O-N 2.77Å; I17-R20 WeakPolarHBondContact O-CB 3.24Å; I17-R20 PolarHBondContact O-N 3.21Å; I17-R20 VanDerWaalsContact O-N 3.16Å; R20-N50 WeakPolarHBondContact CG-O 3.21Å; R20-N50 PolarHBondContact NH1-OD1 3.3Å
21	K	91.6	Very high	95.3	Very high	119 Å²	119	56 Å²	56	52%	0.517	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-127.2	144.2	169.8	-65.4	175	-174.7	169.7	0	109.8	L19 K23 D24	L19-K21 PolarHBondContact O-N 3.41Å; K21-K23 PolarHBondContact O-N 2.68Å; K21-D24 HydrophobicContact CB-CB 3.8Å; K21-D24 PolarHBondContact O-N 3.31Å
22	P	87.5	Confident	95.2	Very high	129 Å²	129	63.9 Å²	63.9	84%	0.838	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	130.7	177.3	-24	33.5	0	0	0	111.5	D24	P22-D24 PolarHBondContact O-N 3.2Å
23	K	84.3	Confident	95.1	Very high	211 Å²	211	63.3 Å²	63.3	92%	0.917	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	17.1	-179.4	-53.5	-177.9	178	-178.6	0	115.7	K21	K21-K23 PolarHBondContact O-N 2.68Å
24	D	91.6	Very high	95.1	Very high	46 Å²	46	59.4 Å²	59.4	25%	0.246	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-117.2	105.7	179.4	-174.3	34.5	0	0	0	109.8	K21 P22 K26	K21-D24 HydrophobicContact CB-CB 3.8Å; K21-D24 PolarHBondContact O-N 3.31Å; P22-D24 PolarHBondContact O-N 3.2Å; D24-K26 IonicContact OD2-NZ 3.53Å; D24-K26 PolarHBondContact OD2-NZ 2.86Å
25	W	95.7	Very high	95.2	Very high	135 Å²	135	58 Å²	58	51%	0.511	27%	0.274	S	S	.	.			trans	-92.3	140.7	-178.9	-65.1	103.4	0	0	0	110.8	G51 T53	W25-G51 WeakPolarHBondContact CA-O 3.2Å; W25-T53 HydrophobicContact CB-CG2 4.24Å
26	K	97.9	Very high	95	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.017	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.8	177.5	-60.9	-172.7	175.6	64.3	0	111.8	L19 D24 G51 I52 T53 E68 I70	L19-K26 PolarHBondContact O-NZ 3.29Å; D24-K26 IonicContact OD2-NZ 3.53Å; D24-K26 PolarHBondContact OD2-NZ 2.86Å; K26-G51 PolarHBondContact N-O 3.29Å; K26-I52 HydrophobicContact CB-CD1 4.22Å; K26-I52 CarbonylContact O-C 3.59Å; K26-I52 WeakPolarHBondContact O-CA 3.27Å; K26-T53 PolarHBondContact O-N 3.23Å; K26-E68 VanDerWaalsContact CA-O 3.24Å; K26-E68 WeakPolarHBondContact CA-O 3.28Å; K26-E68 WeakPolarHBondContact CB-O 3.46Å; K26-E68 HydrophobicContact CD-CB 4.29Å; K26-E68 WeakPolarHBondContact CE-OE2 3.19Å; K26-E68 HydrophobicContact CG-CB 4.21Å; K26-E68 IonicContact NZ-OE2 3.7Å; K26-I70 HydrophobicContact CB-CD1 4.47Å; K26-I70 HydrophobicContact CB-CG1 4.38Å; K26-I70 HydrophobicContact CD-CD1 4.08Å; K26-I70 HydrophobicContact CD-CG1 4Å
27	V	98.1	Very high	95	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.5	167.8	-176.5	0	0	0	0	108.8	V29 T53 L54 E56 L65 I67 E68 A69 I70 Y94	V27-V29 HydrophobicContact CG1-CG2 3.98Å; V27-T53 HydrophobicContact CG2-CG2 4.43Å; V27-L54 HydrophobicContact CG1-CB 4.16Å; V27-L54 HydrophobicContact CG2-CB 4.41Å; V27-E56 HydrophobicContact CG1-CB 4.15Å; V27-E56 HydrophobicContact CG1-CG 3.74Å; V27-L65 HydrophobicContact CG2-CD1 3.9Å; V27-I67 HydrophobicContact CG2-CD1 3.61Å; V27-I67 HydrophobicContact CG2-CG1 4.03Å; V27-E68 PolarHBondContact N-O 3.08Å; V27-A69 HydrophobicContact CB-CB 4.36Å; V27-A69 CarbonylContact O-C 3.51Å; V27-A69 VanDerWaalsContact O-CA 3.29Å; V27-A69 WeakPolarHBondContact O-CA 3.47Å; V27-I70 PolarHBondContact O-N 2.79Å; V27-Y94 HydrophobicContact CB-CE1 4.01Å; V27-Y94 HydrophobicContact CG1-CE1 4.23Å; V27-Y94 HydrophobicContact CG2-CD1 4.34Å; V27-Y94 HydrophobicContact CG2-CE1 3.78Å
28	L	98.4	Very high	95	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.4	170.2	178.5	63.4	0	0	0	108.7	L30 I47 I52 L54 V55 E56 I70	L28-L30 HydrophobicContact CD1-CD2 3.75Å; L28-L30 HydrophobicContact CD2-CD1 4.29Å; L28-L30 HydrophobicContact CD2-CD2 4.03Å; L28-L30 HydrophobicContact CD2-CG 4.4Å; L28-L30 HydrophobicContact CG-CD1 4.42Å; L28-L30 HydrophobicContact CG-CD2 3.62Å; L28-L30 HydrophobicContact CG-CG 4.01Å; L28-I47 HydrophobicContact CD2-CG2 4.19Å; L28-I52 HydrophobicContact CB-CD1 4.45Å; L28-I52 HydrophobicContact CB-CG2 3.71Å; L28-L54 PolarHBondContact N-O 3.4Å; L28-V55 HydrophobicContact CB-CG2 4.35Å; L28-V55 HydrophobicContact CD2-CG1 4.44Å; L28-V55 HydrophobicContact CD2-CG2 4.3Å; L28-V55 CarbonylContact O-C 3.58Å; L28-V55 VanDerWaalsContact O-CA 3.29Å; L28-V55 WeakPolarHBondContact O-CA 3.15Å; L28-E56 PolarHBondContact O-N 3.1Å; L28-I70 CarbonylContact C-O 3.58Å; L28-I70 WeakPolarHBondContact CA-O 2.9Å; L28-I70 HydrophobicContact CD1-CB 4.01Å; L28-I70 HydrophobicContact CD1-CG2 3.85Å
29	V	98.7	Very high	94.8	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.6	179.4	-176.1	0	0	0	0	108.9	V27 E56 I58 A69 I70 Y71 L72 Y94	V27-V29 HydrophobicContact CG1-CG2 3.98Å; V29-E56 WeakPolarHBondContact CA-O 3.5Å; V29-E56 HydrophobicContact CG2-CB 4.46Å; V29-I58 HydrophobicContact CG1-CB 3.8Å; V29-I58 HydrophobicContact CG1-CG1 4.08Å; V29-A69 HydrophobicContact CG2-CB 4.22Å; V29-I70 PolarHBondContact N-O 2.57Å; V29-Y71 HydrophobicContact CB-CD1 3.72Å; V29-Y71 HydrophobicContact CB-CE1 3.87Å; V29-Y71 HydrophobicContact CB-CG 4.21Å; V29-Y71 HydrophobicContact CG1-CD1 3.71Å; V29-Y71 HydrophobicContact CG1-CE1 3.69Å; V29-Y71 HydrophobicContact CG2-CD1 4.4Å; V29-Y71 HydrophobicContact CG2-CE1 4.13Å; V29-Y71 WeakPolarHBondContact O-CA 3.42Å; V29-L72 PolarHBondContact O-N 2.86Å; V29-Y94 HydrophobicContact CG2-CE2 3.81Å
30	L	98.5	Very high	94.6	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.6	-172.6	-56	-177.9	0	0	0	110.6	L28 A34 T35 V38 V55 E56 D57 I58 L72	L28-L30 HydrophobicContact CD1-CD2 3.75Å; L28-L30 HydrophobicContact CD2-CD1 4.29Å; L28-L30 HydrophobicContact CD2-CD2 4.03Å; L28-L30 HydrophobicContact CD2-CG 4.4Å; L28-L30 HydrophobicContact CG-CD1 4.42Å; L28-L30 HydrophobicContact CG-CD2 3.62Å; L28-L30 HydrophobicContact CG-CG 4.01Å; L30-A34 HydrophobicContact CB-CB 4.15Å; L30-A34 HydrophobicContact CD2-CB 4.09Å; L30-T35 VanDerWaalsContact CB-OG1 3.32Å; L30-T35 WeakPolarHBondContact CB-OG1 2.95Å; L30-V38 HydrophobicContact CD1-CB 3.97Å; L30-V38 HydrophobicContact CD1-CG1 4.22Å; L30-V38 HydrophobicContact CD1-CG2 3.93Å; L30-V38 HydrophobicContact CD2-CG2 4.22Å; L30-V55 HydrophobicContact CD1-CG1 3.55Å; L30-V55 HydrophobicContact CG-CG1 4.12Å; L30-E56 PolarHBondContact N-O 3.07Å; L30-D57 WeakPolarHBondContact O-CA 3.24Å; L30-I58 PolarHBondContact O-N 3.09Å; L30-L72 HydrophobicContact CD2-CB 3.72Å; L30-L72 HydrophobicContact CD2-CD2 4.22Å; L30-L72 HydrophobicContact CD2-CG 4.38Å
31	D	97.5	Very high	94.7	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.037	27%	0.267	C	S	.	.			trans	-82.6	-175.9	162.3	79.4	-5	0	0	0	111.3	L33 A34 T35 I58 F59 L72 I73 T74	D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 PolarHBondContact OD1-N 2.94Å; D31-L33 VanDerWaalsContact OD1-N 3.16Å; D31-A34 WeakPolarHBondContact OD1-CB 3.35Å; D31-A34 PolarHBondContact OD1-N 2.82Å; D31-T35 VanDerWaalsContact O-CB 3.26Å; D31-T35 WeakPolarHBondContact O-CB 3.25Å; D31-T35 PolarHBondContact O-N 2.85Å; D31-T35 PolarHBondContact O-OG1 2.61Å; D31-I58 HydrophobicContact CB-CG2 3.95Å; D31-F59 HydrophobicContact CB-CE2 3.92Å; D31-F59 HydrophobicContact CB-CZ 4.45Å; D31-L72 PolarHBondContact N-O 3.39Å; D31-I73 HydrophobicContact CB-CB 4.35Å; D31-I73 HydrophobicContact CB-CG2 4.13Å; D31-T74 WeakPolarHBondContact OD2-CB 3.48Å; D31-T74 PolarHBondContact OD2-N 3.47Å; D31-T74 PolarHBondContact OD2-OG1 3.2Å
32	R	94.8	Very high	94.8	Very high	169 Å²	169	49.7 Å²	49.7	64%	0.638	25%	0.247	S	C	*	.	H	α-helix	trans	-60.3	-46.2	-178	-68.2	-178.5	-172.7	173.7	5.9	112.3	R36 F59	R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.48Å; R32-F59 HydrophobicContact CG-CD2 3.94Å; R32-F59 HydrophobicContact CG-CE2 3.79Å
33	L	94.8	Very high	95	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-48.6	-177.6	176.7	58.9	0	0	0	110.4	D31 T35 R36 I37 A131 D143	D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 PolarHBondContact OD1-N 2.94Å; D31-L33 VanDerWaalsContact OD1-N 3.16Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.4Å; L33-R36 PolarHBondContact O-N 2.88Å; L33-R36 VanDerWaalsContact O-N 3.12Å; L33-I37 HydrophobicContact CD1-CD1 3.98Å; L33-I37 HydrophobicContact CD1-CG1 4.23Å; L33-I37 HydrophobicContact CD2-CD1 4.44Å; L33-I37 HydrophobicContact CG-CD1 3.74Å; L33-I37 HydrophobicContact CG-CG1 4.44Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.08Å; L33-A131 HydrophobicContact CD2-CB 4.43Å; L33-D143 HydrophobicContact CD1-CB 4.47Å
34	A	97.2	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-39.4	178.5	0	0	0	0	0	112.3	L30 D31 R36 I37 V38 L72	L30-A34 HydrophobicContact CB-CB 4.15Å; L30-A34 HydrophobicContact CD2-CB 4.09Å; D31-A34 WeakPolarHBondContact OD1-CB 3.35Å; D31-A34 PolarHBondContact OD1-N 2.82Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 2.74Å; A34-I37 PolarHBondContact O-N 3.34Å; A34-V38 WeakPolarHBondContact O-CB 3.1Å; A34-V38 VanDerWaalsContact O-CG2 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.21Å; A34-V38 PolarHBondContact O-N 3.43Å; A34-L72 HydrophobicContact CB-CB 4.35Å; A34-L72 HydrophobicContact CB-CD2 4.04Å; A34-L72 HydrophobicContact CB-CG 3.77Å; A34-L72 WeakPolarHBondContact CB-O 3.4Å
35	T	96.5	Very high	95.4	Very high	54 Å²	54	46.3 Å²	46.3	33%	0.331	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-46.7	174	-62.4	0	0	0	0	111	L30 D31 L33 S39	L30-T35 VanDerWaalsContact CB-OG1 3.32Å; L30-T35 WeakPolarHBondContact CB-OG1 2.95Å; D31-T35 VanDerWaalsContact O-CB 3.26Å; D31-T35 WeakPolarHBondContact O-CB 3.25Å; D31-T35 PolarHBondContact O-N 2.85Å; D31-T35 PolarHBondContact O-OG1 2.61Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.4Å; T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.07Å
36	R	94.4	Very high	95.3	Very high	100 Å²	100	43.1 Å²	43.1	38%	0.377	21%	0.212	S	C	.	.	H	α-helix	trans	-68.7	-40.4	179.4	-66.7	-176.8	67.5	168.6	-0.6	112.5	R32 L33 A34 S39 S40 L133 D143	R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.48Å; L33-R36 PolarHBondContact O-N 2.88Å; L33-R36 VanDerWaalsContact O-N 3.12Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 2.74Å; R36-S39 PolarHBondContact O-N 3.12Å; R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.27Å; R36-S40 PolarHBondContact O-N 3.29Å; R36-L133 HydrophobicContact CB-CD1 4Å; R36-D143 WeakPolarHBondContact CD-OD2 3.38Å; R36-D143 IonicContact CZ-OD1 3.8Å; R36-D143 IonicContact CZ-OD2 3.56Å; R36-D143 IonicContact NE-OD2 3.5Å; R36-D143 IonicContact NH1-OD1 2.77Å; R36-D143 PolarHBondContact NH1-OD1 3.2Å; R36-D143 IonicContact NH1-OD2 3.45Å; R36-D143 PolarHBondContact NH1-OD2 3.45Å; R36-D143 IonicContact NH2-OD1 2.86Å
37	I	96.1	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-52.2	177	-67.3	164.2	0	0	0	110.1	V7 L11 L33 A34 S39 S40 C41 I130 F132 L133	V7-I37 HydrophobicContact CG1-CG2 3.56Å; L11-I37 HydrophobicContact CD1-CG2 4.22Å; L33-I37 HydrophobicContact CD1-CD1 3.98Å; L33-I37 HydrophobicContact CD1-CG1 4.23Å; L33-I37 HydrophobicContact CD2-CD1 4.44Å; L33-I37 HydrophobicContact CG-CD1 3.74Å; L33-I37 HydrophobicContact CG-CG1 4.44Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.08Å; A34-I37 PolarHBondContact O-N 3.34Å; I37-S39 PolarHBondContact O-N 3.39Å; I37-S40 PolarHBondContact O-N 3.39Å; I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 2.85Å; I37-C41 PolarHBondContact O-SG 2.93Å; I37-I130 WeakPolarHBondContact CD1-O 3.41Å; I37-I130 HydrophobicContact CG2-CD1 4.49Å; I37-F132 WeakPolarHBondContact CG1-O 3.39Å; I37-L133 HydrophobicContact CG1-CD1 4.48Å
38	V	95.8	Very high	95	Very high	10 Å²	10	47.2 Å²	47.2	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-45.6	179.9	173	0	0	0	0	110.6	L11 L30 A34 S40 C41 C42 I47 L72	L11-V38 HydrophobicContact CD1-CG2 4.18Å; L11-V38 HydrophobicContact CD2-CG2 4.42Å; L30-V38 HydrophobicContact CD1-CB 3.97Å; L30-V38 HydrophobicContact CD1-CG1 4.22Å; L30-V38 HydrophobicContact CD1-CG2 3.93Å; L30-V38 HydrophobicContact CD2-CG2 4.22Å; A34-V38 WeakPolarHBondContact O-CB 3.1Å; A34-V38 VanDerWaalsContact O-CG2 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.21Å; A34-V38 PolarHBondContact O-N 3.43Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 2.63Å; V38-C41 PolarHBondContact O-N 2.99Å; V38-C42 HydrophobicContact CG1-CB 4.42Å; V38-C42 WeakPolarHBondContact O-CB 3.28Å; V38-C42 PolarHBondContact O-N 3.35Å; V38-I47 HydrophobicContact CG1-CD1 3.39Å; V38-L72 HydrophobicContact CG2-CD2 4.1Å
39	S	92.7	Very high	94.8	Very high	97 Å²	97	52.2 Å²	52.2	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-62.6	-33.3	177.4	-172.6	0	0	0	0	113.2	T35 R36 I37	T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.07Å; R36-S39 PolarHBondContact O-N 3.12Å; I37-S39 PolarHBondContact O-N 3.39Å
40	S	91.6	Very high	94.6	Very high	32 Å²	32	53.5 Å²	53.5	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-78.9	-29.5	-180	-173.5	0	0	0	0	112.9	K4 R36 I37 V38 P134	K4-S40 VanDerWaalsContact CE-OG 3.23Å; K4-S40 WeakPolarHBondContact CE-OG 3.25Å; K4-S40 PolarHBondContact NZ-OG 2.86Å; R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.27Å; R36-S40 PolarHBondContact O-N 3.29Å; I37-S40 PolarHBondContact O-N 3.39Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 2.63Å; S40-P134 PolarHBondContact OG-O 3.47Å
41	C	94.2	Very high	94.4	Very high	18 Å²	18	53.9 Å²	53.9	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-107.5	-27.6	-168.2	-59.1	0	0	0	0	114.2	A8 L11 I37 V38	A8-C41 HydrophobicContact CB-CB 4.02Å; A8-C41 WeakPolarHBondContact CB-O 3.22Å; L11-C41 HydrophobicContact CD1-CB 4.34Å; I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 2.85Å; I37-C41 PolarHBondContact O-SG 2.93Å; V38-C41 PolarHBondContact O-N 2.99Å
42	C	93.9	Very high	94.4	Very high	13 Å²	13	53.8 Å²	53.8	9%	0.088	27%	0.27	C	S	.	.			trans	-127.2	140.2	-169.9	-62.6	0	0	0	0	111.4	V38 I47	V38-C42 HydrophobicContact CG1-CB 4.42Å; V38-C42 WeakPolarHBondContact O-CB 3.28Å; V38-C42 PolarHBondContact O-N 3.35Å; C42-I47 HydrophobicContact CB-CD1 3.85Å; C42-I47 HydrophobicContact CB-CG1 3.98Å
43	K	91.5	Very high	94.4	Very high	106 Å²	106	48.4 Å²	48.4	46%	0.461	26%	0.256	S	S	.	.			trans	-85.4	144.1	173.1	-62.2	177.1	-175.7	165.4	0	110	H45 E46 I47	K43-H45 VanDerWaalsContact CD-CE1 3.42Å; K43-H45 WeakPolarHBondContact CD-CE1 3.4Å; K43-H45 PolarHBondContact O-N 3.27Å; K43-H45 VanDerWaalsContact O-N 3.14Å; K43-E46 HydrophobicContact CB-CG 4.12Å; K43-E46 PolarHBondContact N-OE2 3.11Å; K43-E46 VanDerWaalsContact N-OE2 3.09Å; K43-E46 WeakPolarHBondContact O-CB 3.29Å; K43-E46 PolarHBondContact O-N 3.4Å; K43-I47 PolarHBondContact O-N 3.43Å
44	M	92.2	Very high	94.5	Very high	106 Å²	106	51 Å²	51	52%	0.522	27%	0.27	S	S	.	.	H	α-helix	trans	-53	-41.2	-179.4	-173.6	57.4	70	0	0	112.9	E46 I47 M48 V55	M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 2.96Å; M44-I47 PolarHBondContact O-N 3.09Å; M44-M48 HydrophobicContact CG-CG 4.25Å; M44-M48 HydrophobicContact CG-SD 3.89Å; M44-M48 VanDerWaalsContact O-CG 3.31Å; M44-M48 WeakPolarHBondContact O-CG 3.23Å; M44-M48 PolarHBondContact O-N 3.35Å; M44-M48 HydrophobicContact SD-CG 4.2Å; M44-M48 HydrophobicContact SD-SD 4.38Å; M44-V55 HydrophobicContact CE-CB 4.37Å; M44-V55 HydrophobicContact CE-CG2 4.03Å; M44-V55 HydrophobicContact SD-CG2 3.94Å
45	H	93	Very high	94.5	Very high	102 Å²	102	53.4 Å²	53.4	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-30.7	178.3	72.8	-91.7	0	0	0	113.4	K43 N49	K43-H45 VanDerWaalsContact CD-CE1 3.42Å; K43-H45 WeakPolarHBondContact CD-CE1 3.4Å; K43-H45 PolarHBondContact O-N 3.27Å; K43-H45 VanDerWaalsContact O-N 3.14Å; H45-N49 WeakPolarHBondContact O-CB 3.4Å; H45-N49 PolarHBondContact O-N 2.67Å; H45-N49 PolarHBondContact O-ND2 2.94Å; H45-N49 VanDerWaalsContact O-ND2 3.13Å
46	E	93	Very high	94.6	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-41.1	176.5	-65.4	167.4	175.2	0	0	110.3	K43 M44 N50	K43-E46 HydrophobicContact CB-CG 4.12Å; K43-E46 PolarHBondContact N-OE2 3.11Å; K43-E46 VanDerWaalsContact N-OE2 3.09Å; K43-E46 WeakPolarHBondContact O-CB 3.29Å; K43-E46 PolarHBondContact O-N 3.4Å; M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 2.96Å; E46-N50 PolarHBondContact O-ND2 3.47Å
47	I	95.3	Very high	94.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-49	176.3	-60.3	171.3	0	0	0	109.9	I16 L28 V38 C42 K43 M44 N49 N50 I52 V55	I16-I47 HydrophobicContact CD1-CG1 4.33Å; I16-I47 HydrophobicContact CD1-CG2 4.37Å; L28-I47 HydrophobicContact CD2-CG2 4.19Å; V38-I47 HydrophobicContact CG1-CD1 3.39Å; C42-I47 HydrophobicContact CB-CD1 3.85Å; C42-I47 HydrophobicContact CB-CG1 3.98Å; K43-I47 PolarHBondContact O-N 3.43Å; M44-I47 PolarHBondContact O-N 3.09Å; I47-N49 PolarHBondContact O-N 3.3Å; I47-N50 PolarHBondContact O-N 2.81Å; I47-N50 VanDerWaalsContact O-N 3.16Å; I47-I52 HydrophobicContact CG2-CB 3.64Å; I47-I52 HydrophobicContact CG2-CG1 3.65Å; I47-I52 HydrophobicContact CG2-CG2 3.79Å; I47-V55 HydrophobicContact CG2-CG2 4.35Å
48	M	94.8	Very high	94.8	Very high	87 Å²	87	50.3 Å²	50.3	43%	0.429	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-42	-178.6	-68.9	-179.2	78.5	0	0	113.3	M44 N50 G51 I52	M44-M48 HydrophobicContact CG-CG 4.25Å; M44-M48 HydrophobicContact CG-SD 3.89Å; M44-M48 VanDerWaalsContact O-CG 3.31Å; M44-M48 WeakPolarHBondContact O-CG 3.23Å; M44-M48 PolarHBondContact O-N 3.35Å; M44-M48 HydrophobicContact SD-CG 4.2Å; M44-M48 HydrophobicContact SD-SD 4.38Å; M48-N50 PolarHBondContact O-N 2.85Å; M48-G51 PolarHBondContact O-N 3.25Å; M48-G51 VanDerWaalsContact O-N 3.1Å; M48-I52 WeakPolarHBondContact CA-O 3.43Å
49	N	94	Very high	94.9	Very high	109 Å²	109	52.6 Å²	52.6	58%	0.583	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14	177.5	-74.1	-18.3	0	0	0	113.2	H45 I47	H45-N49 WeakPolarHBondContact O-CB 3.4Å; H45-N49 PolarHBondContact O-N 2.67Å; H45-N49 PolarHBondContact O-ND2 2.94Å; H45-N49 VanDerWaalsContact O-ND2 3.13Å; I47-N49 PolarHBondContact O-N 3.3Å
50	N	95	Very high	95.1	Very high	26 Å²	26	54.5 Å²	54.5	14%	0.139	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	22	178.2	-71.6	-71.8	0	0	0	114.2	M12 I16 R20 E46 I47 M48	M12-N50 HydrophobicContact CE-CB 4.15Å; M12-N50 WeakPolarHBondContact CE-ND2 3.32Å; I16-N50 HydrophobicContact CG2-CB 3.55Å; R20-N50 WeakPolarHBondContact CG-O 3.21Å; R20-N50 PolarHBondContact NH1-OD1 3.3Å; E46-N50 PolarHBondContact O-ND2 3.47Å; I47-N50 PolarHBondContact O-N 2.81Å; I47-N50 VanDerWaalsContact O-N 3.16Å; M48-N50 PolarHBondContact O-N 2.85Å
51	G	95	Very high	95.2	Very high	11 Å²	11	63.2 Å²	63.2	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	12.4	167.7	0	0	0	0	0	115	W25 K26 M48	W25-G51 WeakPolarHBondContact CA-O 3.2Å; K26-G51 PolarHBondContact N-O 3.29Å; M48-G51 PolarHBondContact O-N 3.25Å; M48-G51 VanDerWaalsContact O-N 3.1Å
52	I	97.2	Very high	95.3	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.4	171.6	-54.7	-55.1	0	0	0	109.2	I16 K26 L28 I47 M48 L54 V55 I70	I16-I52 HydrophobicContact CG2-CG1 4.27Å; K26-I52 HydrophobicContact CB-CD1 4.22Å; K26-I52 CarbonylContact O-C 3.59Å; K26-I52 WeakPolarHBondContact O-CA 3.27Å; L28-I52 HydrophobicContact CB-CD1 4.45Å; L28-I52 HydrophobicContact CB-CG2 3.71Å; I47-I52 HydrophobicContact CG2-CB 3.64Å; I47-I52 HydrophobicContact CG2-CG1 3.65Å; I47-I52 HydrophobicContact CG2-CG2 3.79Å; M48-I52 WeakPolarHBondContact CA-O 3.43Å; I52-L54 VanDerWaalsContact CG2-O 3.27Å; I52-L54 WeakPolarHBondContact CG2-O 3.17Å; I52-V55 HydrophobicContact CG2-CG2 4.24Å; I52-I70 HydrophobicContact CD1-CD1 3.76Å
53	T	95.3	Very high	95.3	Very high	57 Å²	57	70.2 Å²	70.2	35%	0.35	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-31.6	179.3	-171.9	0	0	0	0	113.2	W25 K26 V27 I67	W25-T53 HydrophobicContact CB-CG2 4.24Å; K26-T53 PolarHBondContact O-N 3.23Å; V27-T53 HydrophobicContact CG2-CG2 4.43Å; T53-I67 HydrophobicContact CG2-CD1 3.71Å
54	L	96.3	Very high	95.5	Very high	69 Å²	69	67.8 Å²	67.8	36%	0.361	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	146.2	-176.1	-69.6	172.6	0	0	0	109.3	V27 L28 I52 E56 L65	V27-L54 HydrophobicContact CG1-CB 4.16Å; V27-L54 HydrophobicContact CG2-CB 4.41Å; L28-L54 PolarHBondContact N-O 3.4Å; I52-L54 VanDerWaalsContact CG2-O 3.27Å; I52-L54 WeakPolarHBondContact CG2-O 3.17Å; L54-E56 HydrophobicContact CB-CG 4.41Å; L54-L65 HydrophobicContact CD1-CD1 3.7Å
55	V	97.2	Very high	95.6	Very high	49 Å²	49	64.3 Å²	64.3	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.8	169.6	-176.6	0	0	0	0	107.2	L28 L30 M44 I47 I52	L28-V55 HydrophobicContact CB-CG2 4.35Å; L28-V55 HydrophobicContact CD2-CG1 4.44Å; L28-V55 HydrophobicContact CD2-CG2 4.3Å; L28-V55 CarbonylContact O-C 3.58Å; L28-V55 VanDerWaalsContact O-CA 3.29Å; L28-V55 WeakPolarHBondContact O-CA 3.15Å; L30-V55 HydrophobicContact CD1-CG1 3.55Å; L30-V55 HydrophobicContact CG-CG1 4.12Å; M44-V55 HydrophobicContact CE-CB 4.37Å; M44-V55 HydrophobicContact CE-CG2 4.03Å; M44-V55 HydrophobicContact SD-CG2 3.94Å; I47-V55 HydrophobicContact CG2-CG2 4.35Å; I52-V55 HydrophobicContact CG2-CG2 4.24Å
56	E	97.8	Very high	95.7	Very high	53 Å²	53	65 Å²	65	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.1	-169.6	-71.2	-69.2	172.2	0	0	111.4	V27 L28 V29 L30 L54 R62	V27-E56 HydrophobicContact CG1-CB 4.15Å; V27-E56 HydrophobicContact CG1-CG 3.74Å; L28-E56 PolarHBondContact O-N 3.1Å; V29-E56 WeakPolarHBondContact CA-O 3.5Å; V29-E56 HydrophobicContact CG2-CB 4.46Å; L30-E56 PolarHBondContact N-O 3.07Å; L54-E56 HydrophobicContact CB-CG 4.41Å; E56-R62 HydrophobicContact CB-CG 4.16Å; E56-R62 HydrophobicContact CG-CG 4.32Å
57	D	97.6	Very high	95.8	Very high	35 Å²	35	63.9 Å²	63.9	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.8	176.5	-178.3	-14.9	0	0	0	109.7	L30 F59 K60 R62	L30-D57 WeakPolarHBondContact O-CA 3.24Å; D57-F59 PolarHBondContact O-N 2.85Å; D57-F59 WeakPolarHBondContact OD1-CB 3.48Å; D57-F59 WeakPolarHBondContact OD1-CD2 3.28Å; D57-F59 PolarHBondContact OD1-N 2.68Å; D57-K60 HydrophobicContact CB-CB 4.25Å; D57-K60 HydrophobicContact CB-CD 3.93Å; D57-K60 HydrophobicContact CB-CG 3.94Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 VanDerWaalsContact O-N 3.14Å; D57-K60 WeakPolarHBondContact OD2-CE 3.48Å; D57-R62 PolarHBondContact O-NH1 3.1Å
58	I	98.2	Very high	96	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	179.9	-161.4	170.8	0	0	0	112.7	V29 L30 D31 R62 Y71 I73 L82 L83	V29-I58 HydrophobicContact CG1-CB 3.8Å; V29-I58 HydrophobicContact CG1-CG1 4.08Å; L30-I58 PolarHBondContact O-N 3.09Å; D31-I58 HydrophobicContact CB-CG2 3.95Å; I58-R62 PolarHBondContact O-NH1 3.18Å; I58-Y71 HydrophobicContact CD1-CD1 4.15Å; I58-Y71 HydrophobicContact CD1-CE1 4.31Å; I58-I73 HydrophobicContact CD1-CG2 3.96Å; I58-L82 HydrophobicContact CD1-CB 4.04Å; I58-L82 HydrophobicContact CG1-CB 3.88Å; I58-L82 HydrophobicContact CG1-CD1 4.42Å; I58-L82 HydrophobicContact CG2-CD1 4.49Å; I58-L83 HydrophobicContact CD1-CB 4.44Å
59	F	96.9	Very high	96.1	Very high	58 Å²	58	60.2 Å²	60.2	25%	0.254	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-7.7	-179.1	-60.2	-73.9	0	0	0	113.9	D31 R32 D57 E78 L82	D31-F59 HydrophobicContact CB-CE2 3.92Å; D31-F59 HydrophobicContact CB-CZ 4.45Å; R32-F59 HydrophobicContact CG-CD2 3.94Å; R32-F59 HydrophobicContact CG-CE2 3.79Å; D57-F59 PolarHBondContact O-N 2.85Å; D57-F59 WeakPolarHBondContact OD1-CB 3.48Å; D57-F59 WeakPolarHBondContact OD1-CD2 3.28Å; D57-F59 PolarHBondContact OD1-N 2.68Å; F59-E78 HydrophobicContact CE1-CG 3.77Å; F59-E78 WeakPolarHBondContact CE1-OE1 3.46Å; F59-L82 HydrophobicContact CD1-CD1 3.38Å; F59-L82 HydrophobicContact CE1-CD1 3.58Å; F59-L82 HydrophobicContact CG-CD1 4.27Å
60	K	96.6	Very high	96.3	Very high	137 Å²	137	55.1 Å²	55.1	60%	0.596	28%	0.28	S	S	*	.	S	Bend	trans	-98.7	156.1	178.1	-66.3	-176.1	-173.1	172.1	0	111	D57 R62	D57-K60 HydrophobicContact CB-CB 4.25Å; D57-K60 HydrophobicContact CB-CD 3.93Å; D57-K60 HydrophobicContact CB-CG 3.94Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 VanDerWaalsContact O-N 3.14Å; D57-K60 WeakPolarHBondContact OD2-CE 3.48Å; K60-R62 PolarHBondContact O-N 3.02Å; K60-R62 PolarHBondContact O-NH1 2.77Å
61	K	94.3	Very high	96.5	Very high	214 Å²	214	53.9 Å²	53.9	93%	0.93	27%	0.273	S	S	*	.			trans	-70.1	131.7	168.6	-66.7	-173.1	178	-175.9	0	109.1
62	R	96.2	Very high	96.7	Very high	32 Å²	32	53.4 Å²	53.4	12%	0.121	27%	0.268	C	S	.	.			trans	-118.8	152.9	-176.1	-64.1	171.6	-62.3	-78.5	1.3	110.6	E56 D57 I58 K60 D86 Q93 Y94	E56-R62 HydrophobicContact CB-CG 4.16Å; E56-R62 HydrophobicContact CG-CG 4.32Å; D57-R62 PolarHBondContact O-NH1 3.1Å; I58-R62 PolarHBondContact O-NH1 3.18Å; K60-R62 PolarHBondContact O-N 3.02Å; K60-R62 PolarHBondContact O-NH1 2.77Å; R62-D86 IonicContact CZ-OD1 3.74Å; R62-D86 IonicContact CZ-OD2 2.7Å; R62-D86 IonicContact NH2-OD1 3.43Å; R62-D86 PolarHBondContact NH2-OD1 2.95Å; R62-D86 IonicContact NH2-OD2 3.5Å; R62-D86 PolarHBondContact NH2-OD2 2.97Å; R62-Q93 PolarHBondContact O-NE2 3.04Å; R62-Y94 WeakPolarHBondContact CD-OH 3.26Å
63	E	94.1	Very high	96.7	Very high	146 Å²	146	53.2 Å²	53.2	68%	0.682	27%	0.267	S	S	*	.			trans	-69.9	136.4	171.7	-173.5	179.2	177.5	0	0	110.5	L65 Q93	E63-L65 HydrophobicContact CG-CD2 4.3Å; E63-L65 PolarHBondContact O-N 3.02Å; E63-Q93 PolarHBondContact O-NE2 2.8Å
64	V	95.5	Very high	96.8	Very high	56 Å²	56	50.6 Å²	50.6	34%	0.339	25%	0.251	S	S	.	.			trans	-71.8	122.4	176.3	177.9	0	0	0	0	109.1	Q91 S92	V64-Q91 HydrophobicContact CG1-CG 4Å; V64-Q91 VanDerWaalsContact CG1-NE2 3.34Å; V64-S92 VanDerWaalsContact CG1-O 3.31Å; V64-S92 WeakPolarHBondContact CG1-O 3.29Å
65	L	95.1	Very high	96.8	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.173	24%	0.237	C	C	.	.			trans	-126.4	135.1	-174.6	-65.6	172.7	0	0	0	111.5	V27 L54 E63 I67 Q93 Y94	V27-L65 HydrophobicContact CG2-CD1 3.9Å; L54-L65 HydrophobicContact CD1-CD1 3.7Å; E63-L65 HydrophobicContact CG-CD2 4.3Å; E63-L65 PolarHBondContact O-N 3.02Å; L65-I67 HydrophobicContact CB-CG1 4.03Å; L65-I67 PolarHBondContact O-N 3.41Å; L65-Q93 PolarHBondContact N-O 3.02Å; L65-Y94 HydrophobicContact CB-CD1 4.29Å; L65-Y94 HydrophobicContact CB-CE1 4.28Å; L65-Y94 WeakPolarHBondContact O-CA 3.47Å
66	P	94.1	Very high	96.7	Very high	115 Å²	115	47.3 Å²	47.3	75%	0.747	23%	0.234	S	C	*	.	S	Bend	trans	-79.1	31.4	-177.5	34.8	-37.7	0	0	0	113.7
67	I	96.3	Very high	96.6	Very high	46 Å²	46	49 Å²	49	24%	0.236	25%	0.245	C	C	.	.	S	Bend	trans	-118.9	171.2	179.6	61.8	174.9	0	0	0	111	V27 T53 L65 Y94 R95	V27-I67 HydrophobicContact CG2-CD1 3.61Å; V27-I67 HydrophobicContact CG2-CG1 4.03Å; T53-I67 HydrophobicContact CG2-CD1 3.71Å; L65-I67 HydrophobicContact CB-CG1 4.03Å; L65-I67 PolarHBondContact O-N 3.41Å; I67-Y94 WeakPolarHBondContact O-CB 3.15Å; I67-R95 PolarHBondContact O-N 3.17Å
68	E	97.5	Very high	96.5	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	151.4	178.6	-56.7	-177.3	164.2	0	0	111.1	K26 V27 R95 Y96 H98 K123	K26-E68 VanDerWaalsContact CA-O 3.24Å; K26-E68 WeakPolarHBondContact CA-O 3.28Å; K26-E68 WeakPolarHBondContact CB-O 3.46Å; K26-E68 HydrophobicContact CD-CB 4.29Å; K26-E68 WeakPolarHBondContact CE-OE2 3.19Å; K26-E68 HydrophobicContact CG-CB 4.21Å; K26-E68 IonicContact NZ-OE2 3.7Å; V27-E68 PolarHBondContact N-O 3.08Å; E68-R95 HydrophobicContact CG-CB 4.49Å; E68-Y96 WeakPolarHBondContact CA-O 3.37Å; E68-Y96 HydrophobicContact CG-CD2 4.32Å; E68-H98 IonicContact OE2-NE2 2.74Å; E68-H98 PolarHBondContact OE2-NE2 3.37Å; E68-K123 IonicContact OE1-NZ 3.14Å; E68-K123 PolarHBondContact OE1-NZ 3.47Å
69	A	98.3	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.1	177.5	0	0	0	0	0	111.9	V27 V29 Y71 Y94 Y96 A97 H98	V27-A69 HydrophobicContact CB-CB 4.36Å; V27-A69 CarbonylContact O-C 3.51Å; V27-A69 VanDerWaalsContact O-CA 3.29Å; V27-A69 WeakPolarHBondContact O-CA 3.47Å; V29-A69 HydrophobicContact CG2-CB 4.22Å; A69-Y71 HydrophobicContact CB-CD2 4.21Å; A69-Y71 HydrophobicContact CB-CE2 3.65Å; A69-Y94 HydrophobicContact CB-CD1 3.99Å; A69-Y94 HydrophobicContact CB-CD2 3.41Å; A69-Y94 VanDerWaalsContact CB-CD2 3.41Å; A69-Y94 HydrophobicContact CB-CE1 4.39Å; A69-Y94 HydrophobicContact CB-CE2 3.83Å; A69-Y94 HydrophobicContact CB-CG 3.49Å; A69-Y94 VanDerWaalsContact CB-CG 3.49Å; A69-Y96 PolarHBondContact N-O 2.67Å; A69-A97 CarbonylContact O-C 3.53Å; A69-A97 WeakPolarHBondContact O-CA 3.34Å; A69-H98 PolarHBondContact O-N 2.77Å
70	I	98.6	Very high	96.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.7	170.2	-57.6	177.6	0	0	0	106.8	I15 L19 K26 V27 L28 V29 I52 H98 F100	I15-I70 HydrophobicContact CG2-CG2 3.63Å; L19-I70 HydrophobicContact CB-CD1 4.13Å; L19-I70 HydrophobicContact CD1-CD1 3.69Å; L19-I70 HydrophobicContact CD1-CG1 3.82Å; K26-I70 HydrophobicContact CB-CD1 4.47Å; K26-I70 HydrophobicContact CB-CG1 4.38Å; K26-I70 HydrophobicContact CD-CD1 4.08Å; K26-I70 HydrophobicContact CD-CG1 4Å; V27-I70 PolarHBondContact O-N 2.79Å; L28-I70 CarbonylContact C-O 3.58Å; L28-I70 WeakPolarHBondContact CA-O 2.9Å; L28-I70 HydrophobicContact CD1-CB 4.01Å; L28-I70 HydrophobicContact CD1-CG2 3.85Å; V29-I70 PolarHBondContact N-O 2.57Å; I52-I70 HydrophobicContact CD1-CD1 3.76Å; I70-H98 CarbonylContact C-O 3.55Å; I70-H98 WeakPolarHBondContact CA-O 3.45Å; I70-H98 HydrophobicContact CG1-CB 4.31Å; I70-F100 HydrophobicContact CG2-CD2 3.87Å; I70-F100 HydrophobicContact CG2-CE2 3.93Å
71	Y	98.7	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.7	174.5	-68.7	-101.4	0	0	0	108.5	V29 I58 A69 L83 D86 F87 Y94 A97 H98 F100	V29-Y71 HydrophobicContact CB-CD1 3.72Å; V29-Y71 HydrophobicContact CB-CE1 3.87Å; V29-Y71 HydrophobicContact CB-CG 4.21Å; V29-Y71 HydrophobicContact CG1-CD1 3.71Å; V29-Y71 HydrophobicContact CG1-CE1 3.69Å; V29-Y71 HydrophobicContact CG2-CD1 4.4Å; V29-Y71 HydrophobicContact CG2-CE1 4.13Å; V29-Y71 WeakPolarHBondContact O-CA 3.42Å; I58-Y71 HydrophobicContact CD1-CD1 4.15Å; I58-Y71 HydrophobicContact CD1-CE1 4.31Å; A69-Y71 HydrophobicContact CB-CD2 4.21Å; A69-Y71 HydrophobicContact CB-CE2 3.65Å; Y71-L83 HydrophobicContact CD1-CD1 3.65Å; Y71-L83 HydrophobicContact CD2-CD1 3.85Å; Y71-L83 HydrophobicContact CE1-CD1 3.62Å; Y71-L83 HydrophobicContact CE2-CD1 3.83Å; Y71-L83 HydrophobicContact CG-CD1 3.75Å; Y71-D86 WeakPolarHBondContact CE1-OD2 3.41Å; Y71-D86 WeakPolarHBondContact OH-CB 3.23Å; Y71-D86 PolarHBondContact OH-OD2 3.49Å; Y71-F87 HydrophobicContact CE2-CE2 4.12Å; Y71-F87 HydrophobicContact CE2-CZ 4.19Å; Y71-Y94 HydrophobicContact CE2-CD2 4.35Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.31Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.25Å; Y71-A97 HydrophobicContact CD2-CB 3.78Å; Y71-A97 HydrophobicContact CE2-CB 3.65Å; Y71-H98 PolarHBondContact N-O 3.06Å; Y71-F100 PolarHBondContact O-N 3.16Å
72	L	98.6	Very high	96.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	105.4	166.5	175	63.4	0	0	0	107.7	L11 I15 V29 L30 D31 A34 V38 F100 T102 I130	L11-L72 HydrophobicContact CD2-CD2 3.53Å; I15-L72 HydrophobicContact CD1-CD1 3.9Å; I15-L72 HydrophobicContact CD1-CD2 4.15Å; V29-L72 PolarHBondContact O-N 2.86Å; L30-L72 HydrophobicContact CD2-CB 3.72Å; L30-L72 HydrophobicContact CD2-CD2 4.22Å; L30-L72 HydrophobicContact CD2-CG 4.38Å; D31-L72 PolarHBondContact N-O 3.39Å; A34-L72 HydrophobicContact CB-CB 4.35Å; A34-L72 HydrophobicContact CB-CD2 4.04Å; A34-L72 HydrophobicContact CB-CG 3.77Å; A34-L72 WeakPolarHBondContact CB-O 3.4Å; V38-L72 HydrophobicContact CG2-CD2 4.1Å; L72-F100 WeakPolarHBondContact CA-O 3.19Å; L72-F100 HydrophobicContact CD1-CB 3.99Å; L72-T102 HydrophobicContact CD1-CG2 3.98Å; L72-T102 HydrophobicContact CG-CG2 4.37Å; L72-I130 HydrophobicContact CD1-CD1 4.38Å; L72-I130 HydrophobicContact CD2-CD1 4.38Å
73	I	98.4	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.8	-168.6	60	177.1	0	0	0	111.6	D31 I58 L83 V99 F100 F101 T102	D31-I73 HydrophobicContact CB-CB 4.35Å; D31-I73 HydrophobicContact CB-CG2 4.13Å; I58-I73 HydrophobicContact CD1-CG2 3.96Å; I73-L83 HydrophobicContact CD1-CB 4.36Å; I73-L83 HydrophobicContact CD1-CD2 4.04Å; I73-V99 HydrophobicContact CD1-CG1 4.37Å; I73-V99 HydrophobicContact CG1-CG1 4.5Å; I73-F100 PolarHBondContact N-O 3.19Å; I73-F101 HydrophobicContact CD1-CE1 4.04Å; I73-F101 HydrophobicContact CG1-CD1 3.96Å; I73-F101 HydrophobicContact CG1-CE1 4Å; I73-F101 VanDerWaalsContact O-CA 3.26Å; I73-F101 WeakPolarHBondContact O-CA 3.48Å; I73-T102 PolarHBondContact O-N 2.98Å
74	T	97.1	Very high	96.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	18%	0.175	C	C	.	.			trans	-74.5	136.3	168.4	-47.3	0	0	0	0	108.9	D31 T76 S79 T102 E103	D31-T74 WeakPolarHBondContact OD2-CB 3.48Å; D31-T74 PolarHBondContact OD2-N 3.47Å; D31-T74 PolarHBondContact OD2-OG1 3.2Å; T74-T76 HydrophobicContact CG2-CG2 3.74Å; T74-T76 PolarHBondContact O-N 2.95Å; T74-S79 VanDerWaalsContact O-CB 3.27Å; T74-S79 WeakPolarHBondContact O-CB 3.38Å; T74-S79 PolarHBondContact O-OG 3.39Å; T74-T102 VanDerWaalsContact CA-OG1 3.3Å; T74-T102 WeakPolarHBondContact CA-OG1 3.47Å; T74-T102 PolarHBondContact OG1-OG1 3.38Å; T74-E103 WeakPolarHBondContact CG2-OE1 3.24Å
75	P	96.3	Very high	96.8	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.058	18%	0.178	C	C	.	.			trans	-73.8	70.7	-179.4	31.4	-34.9	0	0	0	110.9	F101 E103 C105 L109	P75-F101 HydrophobicContact CB-CB 4.44Å; P75-F101 HydrophobicContact CB-CD1 3.77Å; P75-F101 HydrophobicContact CB-CE1 4.13Å; P75-F101 HydrophobicContact CB-CG 4.03Å; P75-F101 HydrophobicContact CG-CB 4.39Å; P75-E103 HydrophobicContact CG-CG 3.8Å; P75-C105 HydrophobicContact CB-CB 4.03Å; P75-L109 WeakPolarHBondContact O-CD1 3.5Å
76	T	94.6	Very high	96.9	Very high	39 Å²	39	33.3 Å²	33.3	24%	0.239	17%	0.174	C	C	.	.			trans	-109.4	158.9	176.1	71.1	0	0	0	0	110.9	T74 E78 S79 L80	T74-T76 HydrophobicContact CG2-CG2 3.74Å; T74-T76 PolarHBondContact O-N 2.95Å; T76-E78 PolarHBondContact O-N 3.34Å; T76-S79 PolarHBondContact O-N 3.04Å; T76-S79 PolarHBondContact OG1-N 3.13Å; T76-S79 PolarHBondContact OG1-OG 3.03Å; T76-L80 WeakPolarHBondContact O-CB 3.39Å; T76-L80 WeakPolarHBondContact O-CD1 3.47Å; T76-L80 PolarHBondContact O-N 3.27Å
77	D	95.2	Very high	97	Very high	90 Å²	90	28.3 Å²	28.3	48%	0.481	14%	0.14	S	C	.	.	H	α-helix	trans	-53	-45.3	175.7	-165.9	77.1	0	0	0	112.2	K81 R112	D77-K81 VanDerWaalsContact O-CB 3.25Å; D77-K81 WeakPolarHBondContact O-CB 3.35Å; D77-K81 PolarHBondContact O-N 3.4Å; D77-R112 IonicContact OD1-CZ 2.83Å; D77-R112 IonicContact OD1-NH1 2.75Å; D77-R112 PolarHBondContact OD1-NH1 2.86Å; D77-R112 IonicContact OD1-NH2 3.69Å; D77-R112 PolarHBondContact OD1-NH2 3.08Å
78	E	96.1	Very high	96.6	Very high	107 Å²	107	31.6 Å²	31.6	50%	0.5	15%	0.154	S	C	.	.	H	α-helix	trans	-64.1	-49.1	-178.2	-159.7	-174.3	178.5	0	0	111.8	F59 T76 K81 L82	F59-E78 HydrophobicContact CE1-CG 3.77Å; F59-E78 WeakPolarHBondContact CE1-OE1 3.46Å; T76-E78 PolarHBondContact O-N 3.34Å; E78-K81 PolarHBondContact O-N 2.82Å; E78-L82 WeakPolarHBondContact O-CG 3.49Å; E78-L82 PolarHBondContact O-N 2.9Å; E78-L82 VanDerWaalsContact O-N 3.13Å
79	S	97	Very high	95.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-41.3	179.8	-58.2	0	0	0	0	112.2	T74 T76 L83	T74-S79 VanDerWaalsContact O-CB 3.27Å; T74-S79 WeakPolarHBondContact O-CB 3.38Å; T74-S79 PolarHBondContact O-OG 3.39Å; T76-S79 PolarHBondContact O-N 3.04Å; T76-S79 PolarHBondContact OG1-N 3.13Å; T76-S79 PolarHBondContact OG1-OG 3.03Å; S79-L83 WeakPolarHBondContact O-CB 3.24Å; S79-L83 PolarHBondContact O-N 3.17Å
80	L	96.7	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-39.1	177.9	-94.3	66.8	0	0	0	111.9	T76 L83 M84 F101 L109 L113	T76-L80 WeakPolarHBondContact O-CB 3.39Å; T76-L80 WeakPolarHBondContact O-CD1 3.47Å; T76-L80 PolarHBondContact O-N 3.27Å; L80-L83 PolarHBondContact O-N 2.99Å; L80-M84 WeakPolarHBondContact O-CE 3.32Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 3.37Å; L80-F101 HydrophobicContact CD1-CE1 3.67Å; L80-F101 HydrophobicContact CD1-CZ 4.07Å; L80-L109 HydrophobicContact CD2-CB 3.64Å; L80-L109 HydrophobicContact CD2-CD1 4.5Å; L80-L109 HydrophobicContact CD2-CD2 4.24Å; L80-L109 HydrophobicContact CD2-CG 4.34Å; L80-L109 WeakPolarHBondContact CD2-O 3.34Å; L80-L113 HydrophobicContact CD2-CB 4.49Å
81	K	96.8	Very high	94.5	Very high	114 Å²	114	47.4 Å²	47.4	50%	0.496	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-50.2	176.5	-179.4	-179.1	172.9	-176.3	0	110.8	D77 E78 L83 M84 E85	D77-K81 VanDerWaalsContact O-CB 3.25Å; D77-K81 WeakPolarHBondContact O-CB 3.35Å; D77-K81 PolarHBondContact O-N 3.4Å; E78-K81 PolarHBondContact O-N 2.82Å; K81-L83 PolarHBondContact O-N 3.13Å; K81-M84 PolarHBondContact O-N 3Å; K81-E85 WeakPolarHBondContact CE-OE1 3.24Å; K81-E85 WeakPolarHBondContact O-CG 3.34Å; K81-E85 PolarHBondContact O-N 2.83Å
82	L	97.5	Very high	94.2	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-39.7	178.8	-66.6	170.9	0	0	0	112.4	I58 F59 E78 M84 E85 D86	I58-L82 HydrophobicContact CD1-CB 4.04Å; I58-L82 HydrophobicContact CG1-CB 3.88Å; I58-L82 HydrophobicContact CG1-CD1 4.42Å; I58-L82 HydrophobicContact CG2-CD1 4.49Å; F59-L82 HydrophobicContact CD1-CD1 3.38Å; F59-L82 HydrophobicContact CE1-CD1 3.58Å; F59-L82 HydrophobicContact CG-CD1 4.27Å; E78-L82 WeakPolarHBondContact O-CG 3.49Å; E78-L82 PolarHBondContact O-N 2.9Å; E78-L82 VanDerWaalsContact O-N 3.13Å; L82-M84 VanDerWaalsContact C-N 3.34Å; L82-M84 PolarHBondContact O-N 2.79Å; L82-E85 PolarHBondContact O-N 2.81Å; L82-D86 PolarHBondContact O-N 2.91Å; L82-D86 VanDerWaalsContact O-N 3.13Å
83	L	97.6	Very high	94.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-45.1	172.5	169.2	66.8	0	0	0	111.5	I58 Y71 I73 S79 L80 K81 D86 F87 V99 L113	I58-L83 HydrophobicContact CD1-CB 4.44Å; Y71-L83 HydrophobicContact CD1-CD1 3.65Å; Y71-L83 HydrophobicContact CD2-CD1 3.85Å; Y71-L83 HydrophobicContact CE1-CD1 3.62Å; Y71-L83 HydrophobicContact CE2-CD1 3.83Å; Y71-L83 HydrophobicContact CG-CD1 3.75Å; I73-L83 HydrophobicContact CD1-CB 4.36Å; I73-L83 HydrophobicContact CD1-CD2 4.04Å; S79-L83 WeakPolarHBondContact O-CB 3.24Å; S79-L83 PolarHBondContact O-N 3.17Å; L80-L83 PolarHBondContact O-N 2.99Å; K81-L83 PolarHBondContact O-N 3.13Å; L83-D86 PolarHBondContact O-N 2.79Å; L83-F87 HydrophobicContact CD1-CE2 4.11Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; L83-V99 HydrophobicContact CD1-CG2 4.08Å; L83-V99 HydrophobicContact CD2-CG1 4.13Å; L83-V99 HydrophobicContact CD2-CG2 3.8Å; L83-L113 HydrophobicContact CD2-CD1 4.07Å; L83-L113 HydrophobicContact CD2-CD2 4.4Å
84	M	96.5	Very high	94.1	Very high	20 Å²	20	50.2 Å²	50.2	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-40.5	179.9	-72	-176.7	-65.4	0	0	111.5	L80 K81 L82 D86 F87 Q88 L113 S116 S118	L80-M84 WeakPolarHBondContact O-CE 3.32Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 3.37Å; K81-M84 PolarHBondContact O-N 3Å; L82-M84 VanDerWaalsContact C-N 3.34Å; L82-M84 PolarHBondContact O-N 2.79Å; M84-D86 VanDerWaalsContact C-N 3.29Å; M84-D86 PolarHBondContact O-N 2.77Å; M84-F87 PolarHBondContact O-N 3.32Å; M84-F87 VanDerWaalsContact O-N 3.1Å; M84-Q88 WeakPolarHBondContact O-CG 3.37Å; M84-Q88 PolarHBondContact O-N 3.47Å; M84-L113 HydrophobicContact CG-CD1 3.92Å; M84-L113 HydrophobicContact SD-CD1 4.45Å; M84-S116 VanDerWaalsContact SD-CB 3.59Å; M84-S118 PolarHBondContact O-OG 2.92Å
85	E	95.4	Very high	94	Very high	85 Å²	85	57.5 Å²	57.5	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-36.1	177	-76	175.4	-174.2	0	0	112.6	K81 L82 F87 Q88	K81-E85 WeakPolarHBondContact CE-OE1 3.24Å; K81-E85 WeakPolarHBondContact O-CG 3.34Å; K81-E85 PolarHBondContact O-N 2.83Å; L82-E85 PolarHBondContact O-N 2.81Å; E85-F87 PolarHBondContact O-N 2.87Å; E85-Q88 PolarHBondContact O-N 3.17Å
86	D	97.1	Very high	94.1	Very high	16 Å²	16	60.7 Å²	60.7	9%	0.086	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.4	175.4	-84.4	-7.1	0	0	0	113.5	R62 Y71 L82 L83 M84 Q93	R62-D86 IonicContact CZ-OD1 3.74Å; R62-D86 IonicContact CZ-OD2 2.7Å; R62-D86 IonicContact NH2-OD1 3.43Å; R62-D86 PolarHBondContact NH2-OD1 2.95Å; R62-D86 IonicContact NH2-OD2 3.5Å; R62-D86 PolarHBondContact NH2-OD2 2.97Å; Y71-D86 WeakPolarHBondContact CE1-OD2 3.41Å; Y71-D86 WeakPolarHBondContact OH-CB 3.23Å; Y71-D86 PolarHBondContact OH-OD2 3.49Å; L82-D86 PolarHBondContact O-N 2.91Å; L82-D86 VanDerWaalsContact O-N 3.13Å; L83-D86 PolarHBondContact O-N 2.79Å; M84-D86 VanDerWaalsContact C-N 3.29Å; M84-D86 PolarHBondContact O-N 2.77Å; D86-Q93 HydrophobicContact CB-CB 3.73Å; D86-Q93 HydrophobicContact CB-CG 4.33Å; D86-Q93 VanDerWaalsContact O-CB 3.23Å; D86-Q93 WeakPolarHBondContact O-CB 3.35Å; D86-Q93 PolarHBondContact O-N 2.9Å
87	F	96.3	Very high	94.2	Very high	9 Å²	9	58.9 Å²	58.9	4%	0.039	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	12.5	179.6	-58.4	-84.2	0	0	0	113.1	Y71 L83 M84 E85 Y94 A97 F121	Y71-F87 HydrophobicContact CE2-CE2 4.12Å; Y71-F87 HydrophobicContact CE2-CZ 4.19Å; L83-F87 HydrophobicContact CD1-CE2 4.11Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; M84-F87 PolarHBondContact O-N 3.32Å; M84-F87 VanDerWaalsContact O-N 3.1Å; E85-F87 PolarHBondContact O-N 2.87Å; F87-Y94 WeakPolarHBondContact CE1-O 3.25Å; F87-A97 HydrophobicContact CE2-CB 3.83Å; F87-A97 HydrophobicContact CZ-CB 3.65Å; F87-F121 HydrophobicContact CB-CD2 3.76Å; F87-F121 HydrophobicContact CB-CE2 4.14Å; F87-F121 HydrophobicContact CB-CG 4.21Å; F87-F121 HydrophobicContact CD1-CB 3.56Å; F87-F121 AromaticContact CD1-CD1 3.9Å; F87-F121 HydrophobicContact CD1-CD1 3.9Å; F87-F121 HydrophobicContact CD1-CD2 4.02Å; F87-F121 AromaticContact CD1-CG 3.56Å; F87-F121 HydrophobicContact CD1-CG 3.56Å; F87-F121 HydrophobicContact CE1-CB 3.93Å; F87-F121 HydrophobicContact CE1-CG 4.3Å; F87-F121 HydrophobicContact CG-CB 4.04Å; F87-F121 HydrophobicContact CG-CD2 4.14Å; F87-F121 HydrophobicContact CG-CG 4.09Å
88	Q	88.3	Confident	94.4	Very high	116 Å²	116	55 Å²	55	54%	0.542	28%	0.284	S	S	.	.			trans	-97.1	124.2	172.9	-73.1	172	14.8	0	0	110.2	M84 E85	M84-Q88 WeakPolarHBondContact O-CG 3.37Å; M84-Q88 PolarHBondContact O-N 3.47Å; E85-Q88 PolarHBondContact O-N 3.17Å
89	G	80.9	Confident	94.5	Very high	67 Å²	67	50 Å²	50	69%	0.691	26%	0.26	S	S	*	.	S	Bend	trans	128.5	-172.3	174.9	0	0	0	0	0	113.9
90	S	81.2	Confident	94.6	Very high	135 Å²	135	50 Å²	50	94%	0.944	26%	0.26	S	S	*	.	S	Bend	trans	-75.7	-27.3	179.4	52.2	0	0	0	0	113.4
91	Q	87.9	Confident	94.6	Very high	143 Å²	143	50.1 Å²	50.1	67%	0.668	26%	0.261	S	S	*	.	S	Bend	trans	-130.3	111.6	178	-172.2	-179.9	-6.3	0	0	109	V64	V64-Q91 HydrophobicContact CG1-CG 4Å; V64-Q91 VanDerWaalsContact CG1-NE2 3.34Å
92	S	93.6	Very high	94.7	Very high	30 Å²	30	44.7 Å²	44.7	21%	0.21	24%	0.237	C	C	.	.			trans	-68.6	146.2	175.8	-49.7	0	0	0	0	111.2	V64 Y94	V64-S92 VanDerWaalsContact CG1-O 3.31Å; V64-S92 WeakPolarHBondContact CG1-O 3.29Å; S92-Y94 WeakPolarHBondContact CB-O 3.28Å; S92-Y94 PolarHBondContact O-N 3.08Å
93	Q	96.4	Very high	94.6	Very high	27 Å²	27	43.5 Å²	43.5	13%	0.126	23%	0.231	C	C	.	.	S	Bend	trans	-56.8	-38.8	178	-173.8	68.9	41.2	0	0	112.3	R62 E63 L65 D86	R62-Q93 PolarHBondContact O-NE2 3.04Å; E63-Q93 PolarHBondContact O-NE2 2.8Å; L65-Q93 PolarHBondContact N-O 3.02Å; D86-Q93 HydrophobicContact CB-CB 3.73Å; D86-Q93 HydrophobicContact CB-CG 4.33Å; D86-Q93 VanDerWaalsContact O-CB 3.23Å; D86-Q93 WeakPolarHBondContact O-CB 3.35Å; D86-Q93 PolarHBondContact O-N 2.9Å
94	Y	97.3	Very high	94.4	Very high	5 Å²	5	45 Å²	45	2%	0.02	24%	0.243	C	C	.	.	S	Bend	trans	-138.2	165.8	178.5	-57.1	-66.6	0	0	0	111	V27 V29 R62 L65 I67 A69 Y71 F87 S92	V27-Y94 HydrophobicContact CB-CE1 4.01Å; V27-Y94 HydrophobicContact CG1-CE1 4.23Å; V27-Y94 HydrophobicContact CG2-CD1 4.34Å; V27-Y94 HydrophobicContact CG2-CE1 3.78Å; V29-Y94 HydrophobicContact CG2-CE2 3.81Å; R62-Y94 WeakPolarHBondContact CD-OH 3.26Å; L65-Y94 HydrophobicContact CB-CD1 4.29Å; L65-Y94 HydrophobicContact CB-CE1 4.28Å; L65-Y94 WeakPolarHBondContact O-CA 3.47Å; I67-Y94 WeakPolarHBondContact O-CB 3.15Å; A69-Y94 HydrophobicContact CB-CD1 3.99Å; A69-Y94 HydrophobicContact CB-CD2 3.41Å; A69-Y94 VanDerWaalsContact CB-CD2 3.41Å; A69-Y94 HydrophobicContact CB-CE1 4.39Å; A69-Y94 HydrophobicContact CB-CE2 3.83Å; A69-Y94 HydrophobicContact CB-CG 3.49Å; A69-Y94 VanDerWaalsContact CB-CG 3.49Å; Y71-Y94 HydrophobicContact CE2-CD2 4.35Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.31Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.25Å; F87-Y94 WeakPolarHBondContact CE1-O 3.25Å; S92-Y94 WeakPolarHBondContact CB-O 3.28Å; S92-Y94 PolarHBondContact O-N 3.08Å
95	R	95.5	Very high	94.4	Very high	154 Å²	154	44.7 Å²	44.7	58%	0.581	24%	0.242	S	C	*	.	S	Bend	trans	-68.8	-44.6	-178.8	-168.8	-174.7	178.6	177.1	-0.1	113	I67 E68	I67-R95 PolarHBondContact O-N 3.17Å; E68-R95 HydrophobicContact CG-CB 4.49Å
96	Y	97.3	Very high	94.3	Very high	77 Å²	77	43.8 Å²	43.8	30%	0.302	24%	0.244	S	C	.	.			trans	-154.3	157.7	178.8	-66.3	-72	0	0	0	109.5	E68 A69 F121 K123	E68-Y96 WeakPolarHBondContact CA-O 3.37Å; E68-Y96 HydrophobicContact CG-CD2 4.32Å; A69-Y96 PolarHBondContact N-O 2.67Å; Y96-F121 WeakPolarHBondContact CA-O 3.37Å; Y96-F121 WeakPolarHBondContact CB-O 3.39Å; Y96-F121 WeakPolarHBondContact CD1-O 3.18Å; Y96-K123 HydrophobicContact CD1-CD 4.39Å; Y96-K123 HydrophobicContact CD1-CG 4.24Å; Y96-K123 HydrophobicContact CD2-CD 4.13Å; Y96-K123 HydrophobicContact CG-CD 3.86Å; Y96-K123 HydrophobicContact CG-CG 4.14Å
97	A	98.1	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.7	177.4	0	0	0	0	0	112.6	A69 Y71 F87 V99 F121 L122 K123	A69-A97 CarbonylContact O-C 3.53Å; A69-A97 WeakPolarHBondContact O-CA 3.34Å; Y71-A97 HydrophobicContact CD2-CB 3.78Å; Y71-A97 HydrophobicContact CE2-CB 3.65Å; F87-A97 HydrophobicContact CE2-CB 3.83Å; F87-A97 HydrophobicContact CZ-CB 3.65Å; A97-V99 HydrophobicContact CB-CG2 4.13Å; A97-F121 PolarHBondContact N-O 3.47Å; A97-L122 HydrophobicContact CB-CD2 3.68Å; A97-L122 WeakPolarHBondContact O-CA 3.26Å; A97-K123 PolarHBondContact O-N 2.86Å
98	H	98.4	Very high	94.1	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.046	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.3	163.9	-64.3	-87.2	0	0	0	108.4	L19 E68 A69 I70 Y71 F100 T124	L19-H98 HydrophobicContact CD1-CB 3.66Å; E68-H98 IonicContact OE2-NE2 2.74Å; E68-H98 PolarHBondContact OE2-NE2 3.37Å; A69-H98 PolarHBondContact O-N 2.77Å; I70-H98 CarbonylContact C-O 3.55Å; I70-H98 WeakPolarHBondContact CA-O 3.45Å; I70-H98 HydrophobicContact CG1-CB 4.31Å; Y71-H98 PolarHBondContact N-O 3.06Å; H98-F100 HydrophobicContact CB-CE2 4Å; H98-T124 WeakPolarHBondContact ND1-CB 3.4Å; H98-T124 PolarHBondContact ND1-OG1 3.4Å
99	V	98.4	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.3	-172.4	-177.1	0	0	0	0	110.6	I73 L83 A97 F101 L122 T124 L125 K126	I73-V99 HydrophobicContact CD1-CG1 4.37Å; I73-V99 HydrophobicContact CG1-CG1 4.5Å; L83-V99 HydrophobicContact CD1-CG2 4.08Å; L83-V99 HydrophobicContact CD2-CG1 4.13Å; L83-V99 HydrophobicContact CD2-CG2 3.8Å; A97-V99 HydrophobicContact CB-CG2 4.13Å; V99-F101 HydrophobicContact CG1-CD1 4.35Å; V99-F101 HydrophobicContact CG1-CE1 3.89Å; V99-F101 HydrophobicContact CG1-CZ 3.99Å; V99-L122 HydrophobicContact CG2-CD2 3.83Å; V99-T124 PolarHBondContact N-O 3.08Å; V99-L125 HydrophobicContact CB-CD1 3.82Å; V99-L125 HydrophobicContact CG1-CD1 3.8Å; V99-L125 CarbonylContact O-C 3.57Å; V99-L125 VanDerWaalsContact O-CA 3.28Å; V99-L125 WeakPolarHBondContact O-CA 3.49Å; V99-K126 PolarHBondContact O-N 3.24Å
100	F	98.5	Very high	95.3	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120	176	-64.4	-92.8	0	0	0	108.9	I15 L19 I70 Y71 L72 I73 H98 T124 K126 I128	I15-F100 HydrophobicContact CB-CE1 4.39Å; I15-F100 HydrophobicContact CB-CZ 4.38Å; I15-F100 HydrophobicContact CD1-CB 4.26Å; I15-F100 HydrophobicContact CD1-CD1 4.41Å; I15-F100 HydrophobicContact CD1-CG 4.28Å; I15-F100 HydrophobicContact CG1-CD1 3.87Å; I15-F100 HydrophobicContact CG1-CE1 4.06Å; I15-F100 HydrophobicContact CG1-CG 4.11Å; I15-F100 HydrophobicContact CG2-CD1 4.47Å; I15-F100 HydrophobicContact CG2-CD2 3.77Å; I15-F100 HydrophobicContact CG2-CE1 4.39Å; I15-F100 HydrophobicContact CG2-CE2 3.72Å; I15-F100 HydrophobicContact CG2-CG 4.14Å; I15-F100 HydrophobicContact CG2-CZ 4.03Å; L19-F100 HydrophobicContact CD1-CE2 3.62Å; L19-F100 HydrophobicContact CD1-CZ 3.82Å; I70-F100 HydrophobicContact CG2-CD2 3.87Å; I70-F100 HydrophobicContact CG2-CE2 3.93Å; Y71-F100 PolarHBondContact O-N 3.16Å; L72-F100 WeakPolarHBondContact CA-O 3.19Å; L72-F100 HydrophobicContact CD1-CB 3.99Å; I73-F100 PolarHBondContact N-O 3.19Å; H98-F100 HydrophobicContact CB-CE2 4Å; F100-T124 HydrophobicContact CE1-CG2 4.29Å; F100-T124 HydrophobicContact CE2-CG2 4.35Å; F100-T124 HydrophobicContact CZ-CG2 3.92Å; F100-K126 CarbonylContact C-O 3.6Å; F100-K126 VanDerWaalsContact CA-O 3.25Å; F100-K126 WeakPolarHBondContact CA-O 3.45Å; F100-K126 HydrophobicContact CD1-CB 3.85Å; F100-K126 HydrophobicContact CE1-CB 4.06Å; F100-K126 HydrophobicContact CE1-CD 4.01Å; F100-K126 HydrophobicContact CE1-CG 4.49Å; F100-I128 HydrophobicContact CB-CG1 4.08Å; F100-I128 HydrophobicContact CD1-CD1 3.71Å; F100-I128 HydrophobicContact CD1-CG1 3.68Å; F100-I128 HydrophobicContact CE1-CD1 4.19Å; F100-I128 HydrophobicContact CG-CG1 4.32Å
101	F	98.4	Very high	96	Very high	2 Å²	2	49 Å²	49	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.7	173.6	-63.7	-53.3	0	0	0	111.3	I73 P75 L80 V99 E103 C105 L113 L125 K126 E127 I128	I73-F101 HydrophobicContact CD1-CE1 4.04Å; I73-F101 HydrophobicContact CG1-CD1 3.96Å; I73-F101 HydrophobicContact CG1-CE1 4Å; I73-F101 VanDerWaalsContact O-CA 3.26Å; I73-F101 WeakPolarHBondContact O-CA 3.48Å; P75-F101 HydrophobicContact CB-CB 4.44Å; P75-F101 HydrophobicContact CB-CD1 3.77Å; P75-F101 HydrophobicContact CB-CE1 4.13Å; P75-F101 HydrophobicContact CB-CG 4.03Å; P75-F101 HydrophobicContact CG-CB 4.39Å; L80-F101 HydrophobicContact CD1-CE1 3.67Å; L80-F101 HydrophobicContact CD1-CZ 4.07Å; V99-F101 HydrophobicContact CG1-CD1 4.35Å; V99-F101 HydrophobicContact CG1-CE1 3.89Å; V99-F101 HydrophobicContact CG1-CZ 3.99Å; F101-E103 VanDerWaalsContact C-N 3.27Å; F101-E103 WeakPolarHBondContact CB-O 3.37Å; F101-E103 PolarHBondContact O-N 2.98Å; F101-C105 HydrophobicContact CD2-CB 3.6Å; F101-C105 HydrophobicContact CE2-CB 3.77Å; F101-C105 VanDerWaalsContact CE2-SG 3.58Å; F101-C105 HydrophobicContact CG-CB 4.32Å; F101-L113 HydrophobicContact CZ-CD2 4.11Å; F101-L125 HydrophobicContact CD2-CD1 4.21Å; F101-L125 HydrophobicContact CE2-CD1 3.5Å; F101-L125 VanDerWaalsContact CE2-CD1 3.5Å; F101-L125 HydrophobicContact CE2-CG 4.42Å; F101-L125 HydrophobicContact CZ-CD1 3.94Å; F101-K126 PolarHBondContact N-O 3.47Å; F101-E127 HydrophobicContact CB-CG 4.27Å; F101-E127 HydrophobicContact CD2-CG 4.48Å; F101-I128 PolarHBondContact O-N 3.33Å
102	T	97.4	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-71.5	-21.3	178.3	54.3	0	0	0	0	113	L72 I73 T74 N129 I130 A131	L72-T102 HydrophobicContact CD1-CG2 3.98Å; L72-T102 HydrophobicContact CG-CG2 4.37Å; I73-T102 PolarHBondContact O-N 2.98Å; T74-T102 VanDerWaalsContact CA-OG1 3.3Å; T74-T102 WeakPolarHBondContact CA-OG1 3.47Å; T74-T102 PolarHBondContact OG1-OG1 3.38Å; T102-N129 CarbonylContact O-C 3.5Å; T102-N129 VanDerWaalsContact O-CA 3.22Å; T102-N129 WeakPolarHBondContact O-CA 3.23Å; T102-N129 PolarHBondContact O-N 3.11Å; T102-I130 PolarHBondContact O-N 2.91Å; T102-A131 PolarHBondContact O-N 3.38Å
103	E	95.7	Very high	96.5	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.065	21%	0.214	C	C	.	.	S	Bend	trans	-147.8	178.5	179	55.8	-165.7	176.3	0	0	110.1	T74 P75 F101 C105 A131 E170 T174	T74-E103 WeakPolarHBondContact CG2-OE1 3.24Å; P75-E103 HydrophobicContact CG-CG 3.8Å; F101-E103 VanDerWaalsContact C-N 3.27Å; F101-E103 WeakPolarHBondContact CB-O 3.37Å; F101-E103 PolarHBondContact O-N 2.98Å; E103-C105 PolarHBondContact O-N 2.96Å; E103-A131 HydrophobicContact CB-CB 3.74Å; E103-A131 HydrophobicContact CG-CB 4.07Å; E103-A131 WeakPolarHBondContact OE2-CB 3.42Å; E103-E170 HydrophobicContact CB-CG 3.96Å; E103-E170 HydrophobicContact CG-CG 4.21Å; E103-E170 WeakPolarHBondContact OE2-CG 3.41Å; E103-T174 HydrophobicContact CB-CG2 3.81Å
104	A	94.6	Very high	96.4	Very high	32 Å²	32	46.2 Å²	46.2	26%	0.264	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-55.7	130.8	176.8	0	0	0	0	0	111.2	Y208	A104-Y208 PolarHBondContact N-OH 2.89Å
105	C	94.9	Very high	96.3	Very high	13 Å²	13	53.5 Å²	53.5	9%	0.088	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-85.9	124.4	-179.7	-171.6	0	0	0	0	110.4	P75 F101 E103 D107 E127	P75-C105 HydrophobicContact CB-CB 4.03Å; F101-C105 HydrophobicContact CD2-CB 3.6Å; F101-C105 HydrophobicContact CE2-CB 3.77Å; F101-C105 VanDerWaalsContact CE2-SG 3.58Å; F101-C105 HydrophobicContact CG-CB 4.32Å; E103-C105 PolarHBondContact O-N 2.96Å; C105-D107 PolarHBondContact O-N 2.93Å; C105-E127 PolarHBondContact N-OE1 2.82Å
106	P	93.6	Very high	96.2	Very high	66 Å²	66	47.2 Å²	47.2	43%	0.429	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.6	137.7	174.1	-25.1	33.7	0	0	0	112.4	E108 L109 F110	P106-E108 PolarHBondContact O-N 3.19Å; P106-E108 VanDerWaalsContact O-N 3.11Å; P106-L109 HydrophobicContact CB-CB 4.46Å; P106-L109 HydrophobicContact CB-CD1 4.49Å; P106-L109 HydrophobicContact CB-CG 4.34Å; P106-L109 HydrophobicContact CG-CD1 4.13Å; P106-L109 WeakPolarHBondContact O-CB 3.34Å; P106-L109 PolarHBondContact O-N 2.94Å; P106-F110 PolarHBondContact O-N 3.01Å
107	D	94.7	Very high	96	Very high	126 Å²	126	50.4 Å²	50.4	67%	0.674	26%	0.264	S	S	*	.	H	α-helix	trans	-52.9	-37.8	-177.9	-73.2	-22.8	0	0	0	113.3	C105 L109 F110 N111	C105-D107 PolarHBondContact O-N 2.93Å; D107-L109 PolarHBondContact O-N 2.94Å; D107-F110 PolarHBondContact O-N 3.41Å; D107-N111 VanDerWaalsContact O-CB 3.28Å; D107-N111 WeakPolarHBondContact O-CB 3.28Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 2.94Å; D107-N111 PolarHBondContact O-ND2 3.2Å
108	E	95.8	Very high	95.8	Very high	152 Å²	152	50.5 Å²	50.5	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-59.7	-47	176.9	-176.2	-176.1	169.6	0	0	111.6	P106 R112	P106-E108 PolarHBondContact O-N 3.19Å; P106-E108 VanDerWaalsContact O-N 3.11Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 PolarHBondContact O-N 2.83Å
109	L	96.3	Very high	95.6	Very high	19 Å²	19	51.4 Å²	51.4	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-41.3	-179.6	-69.3	-170.6	0	0	0	111.4	P75 L80 P106 D107 R112 L113	P75-L109 WeakPolarHBondContact O-CD1 3.5Å; L80-L109 HydrophobicContact CD2-CB 3.64Å; L80-L109 HydrophobicContact CD2-CD1 4.5Å; L80-L109 HydrophobicContact CD2-CD2 4.24Å; L80-L109 HydrophobicContact CD2-CG 4.34Å; L80-L109 WeakPolarHBondContact CD2-O 3.34Å; P106-L109 HydrophobicContact CB-CB 4.46Å; P106-L109 HydrophobicContact CB-CD1 4.49Å; P106-L109 HydrophobicContact CB-CG 4.34Å; P106-L109 HydrophobicContact CG-CD1 4.13Å; P106-L109 WeakPolarHBondContact O-CB 3.34Å; P106-L109 PolarHBondContact O-N 2.94Å; D107-L109 PolarHBondContact O-N 2.94Å; L109-R112 PolarHBondContact O-N 3.16Å; L109-L113 PolarHBondContact O-N 3.49Å
110	F	96.3	Very high	95.4	Very high	80 Å²	80	57.8 Å²	57.8	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-52.3	174.3	-180	-94.5	0	0	0	111.6	P106 D107 R112 L113 C114 L125	P106-F110 PolarHBondContact O-N 3.01Å; D107-F110 PolarHBondContact O-N 3.41Å; F110-R112 VanDerWaalsContact C-N 3.31Å; F110-R112 PolarHBondContact O-N 3.5Å; F110-L113 PolarHBondContact O-N 3.39Å; F110-C114 PolarHBondContact O-N 3.04Å; F110-C114 PolarHBondContact O-SG 3.28Å; F110-C114 VanDerWaalsContact O-SG 3.41Å; F110-L125 HydrophobicContact CD2-CD2 3.99Å; F110-L125 HydrophobicContact CE2-CD2 3.48Å; F110-L125 VanDerWaalsContact CE2-CD2 3.48Å; F110-L125 HydrophobicContact CE2-CG 4.39Å; F110-L125 HydrophobicContact CZ-CD2 4.38Å
111	N	96.8	Very high	95.3	Very high	77 Å²	77	60 Å²	60	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-41.2	-179.7	-76.7	-49.2	0	0	0	111.9	D107 L113 C114 Q115	D107-N111 VanDerWaalsContact O-CB 3.28Å; D107-N111 WeakPolarHBondContact O-CB 3.28Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 2.94Å; D107-N111 PolarHBondContact O-ND2 3.2Å; N111-L113 PolarHBondContact O-N 3.2Å; N111-C114 PolarHBondContact O-N 2.92Å; N111-Q115 WeakPolarHBondContact O-CB 3.24Å; N111-Q115 VanDerWaalsContact O-CG 3.24Å; N111-Q115 WeakPolarHBondContact O-CG 3.34Å; N111-Q115 PolarHBondContact O-N 3.41Å
112	R	96.6	Very high	95.2	Very high	80 Å²	80	61.6 Å²	61.6	30%	0.302	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-42	176.8	-173.5	174.4	66.6	-176.8	11.5	112.4	D77 E108 L109 F110 S116	D77-R112 IonicContact OD1-CZ 2.83Å; D77-R112 IonicContact OD1-NH1 2.75Å; D77-R112 PolarHBondContact OD1-NH1 2.86Å; D77-R112 IonicContact OD1-NH2 3.69Å; D77-R112 PolarHBondContact OD1-NH2 3.08Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 PolarHBondContact O-N 2.83Å; L109-R112 PolarHBondContact O-N 3.16Å; F110-R112 VanDerWaalsContact C-N 3.31Å; F110-R112 PolarHBondContact O-N 3.5Å; R112-S116 PolarHBondContact O-N 3.36Å
113	L	96.1	Very high	95.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-47	175.1	-178.6	62	0	0	0	110.9	L80 L83 M84 F101 L109 F110 N111 Q115 S116 L122 L125	L80-L113 HydrophobicContact CD2-CB 4.49Å; L83-L113 HydrophobicContact CD2-CD1 4.07Å; L83-L113 HydrophobicContact CD2-CD2 4.4Å; M84-L113 HydrophobicContact CG-CD1 3.92Å; M84-L113 HydrophobicContact SD-CD1 4.45Å; F101-L113 HydrophobicContact CZ-CD2 4.11Å; L109-L113 PolarHBondContact O-N 3.49Å; F110-L113 PolarHBondContact O-N 3.39Å; N111-L113 PolarHBondContact O-N 3.2Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-Q115 PolarHBondContact O-N 3.03Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.09Å; L113-S116 VanDerWaalsContact O-N 3.17Å; L113-S116 PolarHBondContact O-OG 3.46Å; L113-L122 HydrophobicContact CD1-CD1 4.09Å; L113-L122 HydrophobicContact CD2-CD1 3.86Å; L113-L122 HydrophobicContact CG-CD1 3.87Å; L113-L125 HydrophobicContact CD2-CD1 3.95Å; L113-L125 HydrophobicContact CD2-CD2 4.26Å
114	C	94.2	Very high	95.3	Very high	60 Å²	60	66.9 Å²	66.9	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-30.6	-179.4	-70.3	0	0	0	0	113.8	F110 N111 S116 A119	F110-C114 PolarHBondContact O-N 3.04Å; F110-C114 PolarHBondContact O-SG 3.28Å; F110-C114 VanDerWaalsContact O-SG 3.41Å; N111-C114 PolarHBondContact O-N 2.92Å; C114-S116 VanDerWaalsContact C-N 3.35Å; C114-A119 WeakPolarHBondContact O-CB 3.37Å
115	Q	94.9	Very high	95.4	Very high	158 Å²	158	67.9 Å²	67.9	74%	0.738	35%	0.35	S	S	*	.	H	α-helix	trans	-85.5	-8.4	177.1	-68.6	172	8.4	0	0	113.2	N111 L113	N111-Q115 WeakPolarHBondContact O-CB 3.24Å; N111-Q115 VanDerWaalsContact O-CG 3.24Å; N111-Q115 WeakPolarHBondContact O-CG 3.34Å; N111-Q115 PolarHBondContact O-N 3.41Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-Q115 PolarHBondContact O-N 3.03Å
116	S	94	Very high	95.5	Very high	23 Å²	23	73 Å²	73	16%	0.161	37%	0.371	C	S	.	.	S	Bend	trans	-74.7	153	179	78	0	0	0	0	112	M84 R112 L113 C114 S118 A119	M84-S116 VanDerWaalsContact SD-CB 3.59Å; R112-S116 PolarHBondContact O-N 3.36Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.09Å; L113-S116 VanDerWaalsContact O-N 3.17Å; L113-S116 PolarHBondContact O-OG 3.46Å; C114-S116 VanDerWaalsContact C-N 3.35Å; S116-S118 PolarHBondContact O-N 3.39Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S116-S118 PolarHBondContact OG-N 3.09Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 3.28Å; S116-A119 VanDerWaalsContact O-N 3.09Å; S116-A119 PolarHBondContact OG-N 3.26Å
117	N	93	Very high	95.6	Very high	144 Å²	144	73.6 Å²	73.6	77%	0.77	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.9	-18.2	171.2	-66.6	-26.7	0	0	0	112.6	A119 I120	N117-A119 VanDerWaalsContact C-N 3.29Å; N117-I120 WeakPolarHBondContact O-CG1 3.38Å
118	S	92.5	Very high	95.6	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-75.5	-18.2	178.4	-49.5	0	0	0	0	112.4	M84 S116 I120 F121	M84-S118 PolarHBondContact O-OG 2.92Å; S116-S118 PolarHBondContact O-N 3.39Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S116-S118 PolarHBondContact OG-N 3.09Å; S118-I120 PolarHBondContact O-N 2.9Å; S118-F121 WeakPolarHBondContact O-CB 3.48Å; S118-F121 PolarHBondContact O-N 3.13Å
119	A	93.9	Very high	95.5	Very high	28 Å²	28	61.9 Å²	61.9	23%	0.231	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.5	-33.4	-177.1	0	0	0	0	0	113.4	C114 S116 N117 F121 L122	C114-A119 WeakPolarHBondContact O-CB 3.37Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 3.28Å; S116-A119 VanDerWaalsContact O-N 3.09Å; S116-A119 PolarHBondContact OG-N 3.26Å; N117-A119 VanDerWaalsContact C-N 3.29Å; A119-F121 PolarHBondContact O-N 3.38Å; A119-F121 VanDerWaalsContact O-N 3.17Å; A119-L122 WeakPolarHBondContact O-CB 3.08Å; A119-L122 PolarHBondContact O-N 2.93Å; A119-L122 VanDerWaalsContact O-N 3.08Å
120	I	95	Very high	95.5	Very high	135 Å²	135	61 Å²	61	69%	0.692	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.9	179.6	69.5	-179.8	0	0	0	113.2	N117 S118	N117-I120 WeakPolarHBondContact O-CG1 3.38Å; S118-I120 PolarHBondContact O-N 2.9Å
121	F	96.5	Very high	95.5	Very high	48 Å²	48	57.1 Å²	57.1	21%	0.211	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-91	-8.3	178.5	-60.2	-86.1	0	0	0	112.6	F87 Y96 A97 S118 A119	F87-F121 HydrophobicContact CB-CD2 3.76Å; F87-F121 HydrophobicContact CB-CE2 4.14Å; F87-F121 HydrophobicContact CB-CG 4.21Å; F87-F121 HydrophobicContact CD1-CB 3.56Å; F87-F121 AromaticContact CD1-CD1 3.9Å; F87-F121 HydrophobicContact CD1-CD1 3.9Å; F87-F121 HydrophobicContact CD1-CD2 4.02Å; F87-F121 AromaticContact CD1-CG 3.56Å; F87-F121 HydrophobicContact CD1-CG 3.56Å; F87-F121 HydrophobicContact CE1-CB 3.93Å; F87-F121 HydrophobicContact CE1-CG 4.3Å; F87-F121 HydrophobicContact CG-CB 4.04Å; F87-F121 HydrophobicContact CG-CD2 4.14Å; F87-F121 HydrophobicContact CG-CG 4.09Å; Y96-F121 WeakPolarHBondContact CA-O 3.37Å; Y96-F121 WeakPolarHBondContact CB-O 3.39Å; Y96-F121 WeakPolarHBondContact CD1-O 3.18Å; A97-F121 PolarHBondContact N-O 3.47Å; S118-F121 WeakPolarHBondContact O-CB 3.48Å; S118-F121 PolarHBondContact O-N 3.13Å; A119-F121 PolarHBondContact O-N 3.38Å; A119-F121 VanDerWaalsContact O-N 3.17Å
122	L	96.9	Very high	95.6	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.1	-178.7	-53.3	-172	0	0	0	110.6	A97 V99 L113 A119	A97-L122 HydrophobicContact CB-CD2 3.68Å; A97-L122 WeakPolarHBondContact O-CA 3.26Å; V99-L122 HydrophobicContact CG2-CD2 3.83Å; L113-L122 HydrophobicContact CD1-CD1 4.09Å; L113-L122 HydrophobicContact CD2-CD1 3.86Å; L113-L122 HydrophobicContact CG-CD1 3.87Å; A119-L122 WeakPolarHBondContact O-CB 3.08Å; A119-L122 PolarHBondContact O-N 2.93Å; A119-L122 VanDerWaalsContact O-N 3.08Å
123	K	97	Very high	95.6	Very high	97 Å²	97	50.1 Å²	50.1	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-21.3	173.6	-77.5	-174.6	170.8	179.4	0	113.4	E68 Y96 A97	E68-K123 IonicContact OE1-NZ 3.14Å; E68-K123 PolarHBondContact OE1-NZ 3.47Å; Y96-K123 HydrophobicContact CD1-CD 4.39Å; Y96-K123 HydrophobicContact CD1-CG 4.24Å; Y96-K123 HydrophobicContact CD2-CD 4.13Å; Y96-K123 HydrophobicContact CG-CD 3.86Å; Y96-K123 HydrophobicContact CG-CG 4.14Å; A97-K123 PolarHBondContact O-N 2.86Å
124	T	97.5	Very high	95.6	Very high	28 Å²	28	50.1 Å²	50.1	17%	0.172	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	138.7	-179.7	-57.3	0	0	0	0	108.3	H98 V99 F100 K126	H98-T124 WeakPolarHBondContact ND1-CB 3.4Å; H98-T124 PolarHBondContact ND1-OG1 3.4Å; V99-T124 PolarHBondContact N-O 3.08Å; F100-T124 HydrophobicContact CE1-CG2 4.29Å; F100-T124 HydrophobicContact CE2-CG2 4.35Å; F100-T124 HydrophobicContact CZ-CG2 3.92Å; T124-K126 HydrophobicContact CG2-CD 4.04Å; T124-K126 HydrophobicContact CG2-CG 3.89Å
125	L	97	Very high	95.7	Very high	54 Å²	54	48.6 Å²	48.6	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	110.5	173.2	-174.4	60.2	0	0	0	106.7	V99 F101 F110 L113	V99-L125 HydrophobicContact CB-CD1 3.82Å; V99-L125 HydrophobicContact CG1-CD1 3.8Å; V99-L125 CarbonylContact O-C 3.57Å; V99-L125 VanDerWaalsContact O-CA 3.28Å; V99-L125 WeakPolarHBondContact O-CA 3.49Å; F101-L125 HydrophobicContact CD2-CD1 4.21Å; F101-L125 HydrophobicContact CE2-CD1 3.5Å; F101-L125 VanDerWaalsContact CE2-CD1 3.5Å; F101-L125 HydrophobicContact CE2-CG 4.42Å; F101-L125 HydrophobicContact CZ-CD1 3.94Å; F110-L125 HydrophobicContact CD2-CD2 3.99Å; F110-L125 HydrophobicContact CE2-CD2 3.48Å; F110-L125 VanDerWaalsContact CE2-CD2 3.48Å; F110-L125 HydrophobicContact CE2-CG 4.39Å; F110-L125 HydrophobicContact CZ-CD2 4.38Å; L113-L125 HydrophobicContact CD2-CD1 3.95Å; L113-L125 HydrophobicContact CD2-CD2 4.26Å
126	K	96.6	Very high	95.8	Very high	119 Å²	119	41.3 Å²	41.3	52%	0.517	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.6	-174.7	-71	-171.9	177.9	-173.4	0	111.5	V99 F100 F101 T124	V99-K126 PolarHBondContact O-N 3.24Å; F100-K126 CarbonylContact C-O 3.6Å; F100-K126 VanDerWaalsContact CA-O 3.25Å; F100-K126 WeakPolarHBondContact CA-O 3.45Å; F100-K126 HydrophobicContact CD1-CB 3.85Å; F100-K126 HydrophobicContact CE1-CB 4.06Å; F100-K126 HydrophobicContact CE1-CD 4.01Å; F100-K126 HydrophobicContact CE1-CG 4.49Å; F101-K126 PolarHBondContact N-O 3.47Å; T124-K126 HydrophobicContact CG2-CD 4.04Å; T124-K126 HydrophobicContact CG2-CG 3.89Å
127	E	95.1	Very high	95.8	Very high	80 Å²	80	42.2 Å²	42.2	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.2	174.6	-61	171.6	169.1	0	0	109.1	F101 C105	F101-E127 HydrophobicContact CB-CG 4.27Å; F101-E127 HydrophobicContact CD2-CG 4.48Å; C105-E127 PolarHBondContact N-OE1 2.82Å
128	I	94.5	Very high	95.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.188	C	C	.	.			trans	-118.1	-8.7	-174.4	-56.9	-69.3	0	0	0	112.1	K10 E14 I15 F100 F101 I130	K10-I128 HydrophobicContact CD-CG2 3.81Å; K10-I128 WeakPolarHBondContact CD-O 3.22Å; K10-I128 WeakPolarHBondContact CE-O 3.5Å; K10-I128 HydrophobicContact CG-CG2 3.85Å; K10-I128 PolarHBondContact NZ-O 2.97Å; E14-I128 HydrophobicContact CB-CD1 3.74Å; E14-I128 WeakPolarHBondContact OE2-CD1 3.36Å; I15-I128 HydrophobicContact CD1-CD1 4.46Å; I15-I128 HydrophobicContact CD1-CG1 3.92Å; I15-I128 HydrophobicContact CD1-CG2 4.3Å; I15-I128 HydrophobicContact CG1-CD1 3.94Å; I15-I128 HydrophobicContact CG1-CG1 3.94Å; F100-I128 HydrophobicContact CB-CG1 4.08Å; F100-I128 HydrophobicContact CD1-CD1 3.71Å; F100-I128 HydrophobicContact CD1-CG1 3.68Å; F100-I128 HydrophobicContact CE1-CD1 4.19Å; F100-I128 HydrophobicContact CG-CG1 4.32Å; F101-I128 PolarHBondContact O-N 3.33Å; I128-I130 HydrophobicContact CB-CG1 4.38Å; I128-I130 HydrophobicContact CG2-CD1 4Å; I128-I130 HydrophobicContact CG2-CG1 4.08Å; I128-I130 HydrophobicContact CG2-CG2 4.12Å; I128-I130 PolarHBondContact O-N 2.82Å
129	N	94.4	Very high	96.2	Very high	29 Å²	29	37 Å²	37	16%	0.155	19%	0.187	C	C	.	.			trans	51.8	58.7	173.3	-53.3	-35.2	0	0	0	113.8	T102 T174 A177 T178 Y208	T102-N129 CarbonylContact O-C 3.5Å; T102-N129 VanDerWaalsContact O-CA 3.22Å; T102-N129 WeakPolarHBondContact O-CA 3.23Å; T102-N129 PolarHBondContact O-N 3.11Å; N129-T174 HydrophobicContact CB-CG2 4.15Å; N129-A177 HydrophobicContact CB-CB 4.45Å; N129-T178 PolarHBondContact O-OG1 2.77Å; N129-Y208 HydrophobicContact CB-CE1 4.12Å; N129-Y208 VanDerWaalsContact ND2-CE1 3.31Å; N129-Y208 WeakPolarHBondContact ND2-CE1 3.36Å; N129-Y208 VanDerWaalsContact OD1-CE1 3.23Å; N129-Y208 WeakPolarHBondContact OD1-CE1 3.34Å; N129-Y208 PolarHBondContact OD1-OH 3.11Å
130	I	96.7	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.			trans	-133.3	30.9	179.7	54.5	169.6	0	0	0	111.7	V7 K10 L11 I37 L72 T102 I128 F132	V7-I130 HydrophobicContact CG1-CB 4.42Å; V7-I130 HydrophobicContact CG1-CG2 4.22Å; V7-I130 HydrophobicContact CG2-CG2 4.48Å; K10-I130 HydrophobicContact CD-CG2 3.81Å; L11-I130 HydrophobicContact CD2-CD1 3.54Å; L11-I130 HydrophobicContact CG-CD1 4.29Å; I37-I130 WeakPolarHBondContact CD1-O 3.41Å; I37-I130 HydrophobicContact CG2-CD1 4.49Å; L72-I130 HydrophobicContact CD1-CD1 4.38Å; L72-I130 HydrophobicContact CD2-CD1 4.38Å; T102-I130 PolarHBondContact O-N 2.91Å; I128-I130 HydrophobicContact CB-CG1 4.38Å; I128-I130 HydrophobicContact CG2-CD1 4Å; I128-I130 HydrophobicContact CG2-CG1 4.08Å; I128-I130 HydrophobicContact CG2-CG2 4.12Å; I128-I130 PolarHBondContact O-N 2.82Å; I130-F132 PolarHBondContact O-N 3.5Å
131	A	97	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.			trans	-75.6	39.9	-175.3	0	0	0	0	0	114.2	L33 T102 E103 Q171 T174	L33-A131 HydrophobicContact CD2-CB 4.43Å; T102-A131 PolarHBondContact O-N 3.38Å; E103-A131 HydrophobicContact CB-CB 3.74Å; E103-A131 HydrophobicContact CG-CB 4.07Å; E103-A131 WeakPolarHBondContact OE2-CB 3.42Å; A131-Q171 HydrophobicContact CB-CG 4.04Å; A131-Q171 VanDerWaalsContact O-CB 3.27Å; A131-Q171 WeakPolarHBondContact O-CB 3.35Å; A131-Q171 WeakPolarHBondContact O-CG 3.49Å; A131-Q171 PolarHBondContact O-NE2 2.87Å; A131-T174 HydrophobicContact CB-CG2 4.05Å; A131-T174 PolarHBondContact N-OG1 3.22Å; A131-T174 VanDerWaalsContact N-OG1 3.17Å
132	F	97.8	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-139	157.1	172.8	68.4	-82.9	0	0	0	109.7	L3 V7 I37 I130 P134 F140 L142 L175 T178	L3-F132 HydrophobicContact CD2-CE2 4.36Å; V7-F132 HydrophobicContact CG2-CE1 4.29Å; V7-F132 HydrophobicContact CG2-CE2 4.08Å; V7-F132 HydrophobicContact CG2-CZ 3.58Å; I37-F132 WeakPolarHBondContact CG1-O 3.39Å; I130-F132 PolarHBondContact O-N 3.5Å; F132-P134 HydrophobicContact CD2-CG 4.24Å; F132-P134 HydrophobicContact CE2-CG 3.78Å; F132-P134 WeakPolarHBondContact O-CD 3.47Å; F132-F140 HydrophobicContact CD2-CB 3.92Å; F132-F140 HydrophobicContact CE2-CB 4.47Å; F132-L142 HydrophobicContact CB-CD2 3.98Å; F132-L175 HydrophobicContact CD1-CB 3.85Å; F132-L175 HydrophobicContact CD1-CD1 4.41Å; F132-L175 HydrophobicContact CD2-CD1 3.94Å; F132-L175 VanDerWaalsContact CE1-CA 3.47Å; F132-L175 HydrophobicContact CE1-CB 4.02Å; F132-L175 HydrophobicContact CE1-CD1 4.09Å; F132-L175 HydrophobicContact CE2-CD1 3.53Å; F132-L175 HydrophobicContact CG-CB 4.15Å; F132-L175 HydrophobicContact CG-CD1 4.35Å; F132-L175 HydrophobicContact CZ-CB 4.42Å; F132-L175 HydrophobicContact CZ-CD1 3.62Å; F132-T178 HydrophobicContact CE1-CG2 4.3Å; F132-T178 HydrophobicContact CZ-CG2 4.05Å
133	L	97.2	Very high	96.5	Very high	10 Å²	10	28 Å²	28	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.3	177.2	179.3	63.4	0	0	0	110.4	R36 I37 V135 F140 S141	R36-L133 HydrophobicContact CB-CD1 4Å; I37-L133 HydrophobicContact CG1-CD1 4.48Å; L133-V135 HydrophobicContact CD2-CG2 4.33Å; L133-V135 HydrophobicContact CG-CG2 4.25Å; L133-V135 PolarHBondContact O-N 2.88Å; L133-F140 CarbonylContact O-C 3.39Å; L133-F140 VanDerWaalsContact O-CA 3.31Å; L133-F140 WeakPolarHBondContact O-CA 3.36Å; L133-S141 WeakPolarHBondContact CB-O 3.26Å; L133-S141 PolarHBondContact N-O 2.96Å; L133-S141 PolarHBondContact O-N 2.94Å
134	P	96.8	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	110.3	165.8	-17.2	32.4	0	0	0	109.1	L3 K4 V7 S40 F132	L3-P134 HydrophobicContact CB-CB 4.04Å; K4-P134 WeakPolarHBondContact CE-O 3.41Å; K4-P134 HydrophobicContact CG-CB 3.79Å; V7-P134 HydrophobicContact CB-CG 3.95Å; V7-P134 HydrophobicContact CG1-CG 4.36Å; V7-P134 HydrophobicContact CG2-CG 3.57Å; S40-P134 PolarHBondContact OG-O 3.47Å; F132-P134 HydrophobicContact CD2-CG 4.24Å; F132-P134 HydrophobicContact CE2-CG 3.78Å; F132-P134 WeakPolarHBondContact O-CD 3.47Å
135	V	95.6	Very high	96.2	Very high	27 Å²	27	25.4 Å²	25.4	16%	0.164	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-44.6	179.9	-176	0	0	0	0	110	K4 L133 V139 I583	K4-V135 VanDerWaalsContact CE-C 3.47Å; K4-V135 WeakPolarHBondContact CE-O 3.44Å; K4-V135 PolarHBondContact NZ-O 3.36Å; L133-V135 HydrophobicContact CD2-CG2 4.33Å; L133-V135 HydrophobicContact CG-CG2 4.25Å; L133-V135 PolarHBondContact O-N 2.88Å; V135-V139 HydrophobicContact CB-CB 4.45Å; V135-V139 HydrophobicContact CB-CG1 4.27Å; V135-V139 PolarHBondContact N-O 3.45Å; V135-I583 HydrophobicContact CB-CD1 4.16Å; V135-I583 HydrophobicContact CG1-CD1 3.66Å; V135-I583 HydrophobicContact CG2-CD1 3.93Å
136	E	96.1	Very high	95.9	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.028	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-177.2	179.3	-53	-171.9	162.7	0	0	110.1	R138 V139 Q246 E279 R288 Y563	E136-R138 PolarHBondContact O-N 2.92Å; E136-V139 HydrophobicContact CB-CB 3.79Å; E136-V139 HydrophobicContact CB-CG2 3.85Å; E136-V139 HydrophobicContact CG-CB 4.06Å; E136-V139 HydrophobicContact CG-CG2 4.12Å; E136-V139 PolarHBondContact N-O 2.94Å; E136-V139 VanDerWaalsContact N-O 3.15Å; E136-V139 PolarHBondContact O-N 3.05Å; E136-V139 WeakPolarHBondContact OE2-CG2 3.38Å; E136-Q246 PolarHBondContact OE1-NE2 3.45Å; E136-E279 WeakPolarHBondContact CB-OE1 3.4Å; E136-R288 VanDerWaalsContact CD-CZ 3.45Å; E136-R288 IonicContact OE1-CZ 3.39Å; E136-R288 IonicContact OE1-NE 2.83Å; E136-R288 IonicContact OE1-NH1 2.72Å; E136-R288 PolarHBondContact OE1-NH1 3.31Å; E136-R288 IonicContact OE2-CZ 3.39Å; E136-R288 VanDerWaalsContact OE2-CZ 3.29Å; E136-R288 IonicContact OE2-NE 3.21Å; E136-R288 IonicContact OE2-NH1 3.68Å; E136-R288 IonicContact OE2-NH2 2.67Å; E136-R288 PolarHBondContact OE2-NH2 3.49Å; E136-Y563 WeakPolarHBondContact CB-OH 3.49Å; E136-Y563 WeakPolarHBondContact OE2-CE2 3.43Å; E136-Y563 PolarHBondContact OE2-OH 3.33Å
137	S	94.5	Very high	95.7	Very high	41 Å²	41	20.7 Å²	20.7	29%	0.287	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.9	-172.4	-81.5	0	0	0	0	113.8	S2 L3 E279	S2-S137 WeakPolarHBondContact CA-O 3.48Å; S2-S137 WeakPolarHBondContact CB-OG 3.49Å; L3-S137 PolarHBondContact N-O 3.2Å; S137-E279 WeakPolarHBondContact CA-OE2 3.35Å; S137-E279 WeakPolarHBondContact CB-OE1 3.45Å; S137-E279 WeakPolarHBondContact CB-OE2 3.44Å; S137-E279 PolarHBondContact N-OE1 2.7Å; S137-E279 PolarHBondContact N-OE2 3.06Å; S137-E279 VanDerWaalsContact OG-CD 3.31Å; S137-E279 PolarHBondContact OG-OE1 3.43Å; S137-E279 PolarHBondContact OG-OE2 3.33Å
138	R	95.3	Very high	95.8	Very high	37 Å²	37	16.9 Å²	16.9	14%	0.14	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	13.9	178.2	69.6	-171	72.2	159.9	9.6	113.4	E136 A562 Y563 T566 I576 I577 V578	E136-R138 PolarHBondContact O-N 2.92Å; R138-A562 PolarHBondContact NH1-O 3.15Å; R138-A562 VanDerWaalsContact NH1-O 3.17Å; R138-Y563 HydrophobicContact CG-CE1 3.98Å; R138-Y563 HydrophobicContact CG-CE2 3.87Å; R138-Y563 VanDerWaalsContact CZ-CE1 3.42Å; R138-Y563 VanDerWaalsContact NE-CE1 3.31Å; R138-Y563 VanDerWaalsContact NH1-CA 3.32Å; R138-T566 PolarHBondContact NH1-OG1 3.32Å; R138-I576 WeakPolarHBondContact CB-O 3.34Å; R138-I576 WeakPolarHBondContact CD-O 3.48Å; R138-I577 HydrophobicContact CB-CG1 4.5Å; R138-I577 WeakPolarHBondContact O-CA 3.29Å; R138-V578 PolarHBondContact O-N 3.39Å
139	V	98.1	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.7	-178.4	-174	0	0	0	0	109.5	V135 E136 I559 Y563 V578	V135-V139 HydrophobicContact CB-CB 4.45Å; V135-V139 HydrophobicContact CB-CG1 4.27Å; V135-V139 PolarHBondContact N-O 3.45Å; E136-V139 HydrophobicContact CB-CB 3.79Å; E136-V139 HydrophobicContact CB-CG2 3.85Å; E136-V139 HydrophobicContact CG-CB 4.06Å; E136-V139 HydrophobicContact CG-CG2 4.12Å; E136-V139 PolarHBondContact N-O 2.94Å; E136-V139 VanDerWaalsContact N-O 3.15Å; E136-V139 PolarHBondContact O-N 3.05Å; E136-V139 WeakPolarHBondContact OE2-CG2 3.38Å; V139-I559 HydrophobicContact CG1-CD1 3.82Å; V139-I559 HydrophobicContact CG1-CG1 3.89Å; V139-I559 HydrophobicContact CG2-CB 4.47Å; V139-I559 HydrophobicContact CG2-CG1 4.3Å; V139-I559 HydrophobicContact CG2-CG2 3.55Å; V139-Y563 HydrophobicContact CG2-CE2 3.84Å; V139-V578 VanDerWaalsContact CA-O 3.24Å; V139-V578 WeakPolarHBondContact CA-O 3.42Å; V139-V578 HydrophobicContact CG2-CG1 4.16Å
140	F	98.3	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156	174.8	69.9	-82.6	0	0	0	112	L3 F132 L133 L142 L175 I547 F549 I577 V578 G579 G580	L3-F140 HydrophobicContact CD1-CB 4.11Å; L3-F140 HydrophobicContact CD1-CD1 4.5Å; F132-F140 HydrophobicContact CD2-CB 3.92Å; F132-F140 HydrophobicContact CE2-CB 4.47Å; L133-F140 CarbonylContact O-C 3.39Å; L133-F140 VanDerWaalsContact O-CA 3.31Å; L133-F140 WeakPolarHBondContact O-CA 3.36Å; F140-L142 HydrophobicContact CD2-CD2 4.09Å; F140-L142 HydrophobicContact CE2-CD2 4.14Å; F140-L175 HydrophobicContact CD1-CD1 4.47Å; F140-L175 HydrophobicContact CD1-CD2 3.71Å; F140-L175 HydrophobicContact CD2-CD2 3.83Å; F140-L175 HydrophobicContact CE1-CD2 3.46Å; F140-L175 VanDerWaalsContact CE1-CD2 3.46Å; F140-L175 HydrophobicContact CE2-CD2 3.57Å; F140-L175 HydrophobicContact CG-CD1 4.42Å; F140-L175 HydrophobicContact CG-CD2 3.89Å; F140-L175 HydrophobicContact CZ-CD2 3.37Å; F140-I547 HydrophobicContact CE1-CG2 4.13Å; F140-I547 HydrophobicContact CZ-CG2 4.34Å; F140-F549 AromaticContact CE2-CD2 3.58Å; F140-F549 HydrophobicContact CE2-CD2 3.58Å; F140-F549 HydrophobicContact CE2-CE2 4.04Å; F140-F549 HydrophobicContact CZ-CB 4.38Å; F140-F549 AromaticContact CZ-CD2 3.73Å; F140-F549 HydrophobicContact CZ-CD2 3.73Å; F140-I577 HydrophobicContact CD1-CG2 3.66Å; F140-I577 HydrophobicContact CE1-CG2 3.8Å; F140-V578 WeakPolarHBondContact CD1-O 3.22Å; F140-V578 PolarHBondContact N-O 3.04Å; F140-V578 VanDerWaalsContact N-O 3.09Å; F140-G579 VanDerWaalsContact CE1-N 3.35Å; F140-G579 WeakPolarHBondContact O-CA 3.23Å; F140-G580 PolarHBondContact O-N 3.04Å
141	S	98.1	Very high	95.6	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.035	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	172.7	174	0	0	0	0	108.7	L133 D143 G580	L133-S141 WeakPolarHBondContact CB-O 3.26Å; L133-S141 PolarHBondContact N-O 2.96Å; L133-S141 PolarHBondContact O-N 2.94Å; S141-D143 PolarHBondContact OG-N 3.18Å; S141-D143 VanDerWaalsContact OG-N 3.08Å; S141-G580 WeakPolarHBondContact CA-O 3.33Å
142	L	97.8	Very high	95.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.103	C	C	.	.			trans	-86.2	-1.2	171	-52.8	-173.1	0	0	0	113	F132 F140 S144 I168 Q171 I172 F549 G580	F132-L142 HydrophobicContact CB-CD2 3.98Å; F140-L142 HydrophobicContact CD2-CD2 4.09Å; F140-L142 HydrophobicContact CE2-CD2 4.14Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.09Å; L142-I168 HydrophobicContact CD1-CB 4.3Å; L142-I168 HydrophobicContact CD1-CG2 3.56Å; L142-Q171 HydrophobicContact CD1-CB 4.2Å; L142-Q171 HydrophobicContact CD2-CB 3.83Å; L142-Q171 HydrophobicContact CG-CB 4.44Å; L142-Q171 PolarHBondContact O-NE2 2.73Å; L142-I172 HydrophobicContact CD1-CG1 4.07Å; L142-F549 HydrophobicContact CD1-CE2 3.49Å; L142-F549 VanDerWaalsContact CD1-CE2 3.49Å; L142-F549 HydrophobicContact CD1-CZ 3.41Å; L142-F549 VanDerWaalsContact CD1-CZ 3.41Å; L142-F549 HydrophobicContact CD2-CE2 4.39Å; L142-F549 HydrophobicContact CG-CE2 3.72Å; L142-F549 HydrophobicContact CG-CZ 4.11Å; L142-G580 PolarHBondContact N-O 3.35Å; L142-G580 VanDerWaalsContact N-O 3.09Å
143	D	94.3	Very high	95.3	Very high	51 Å²	51	19.6 Å²	19.6	27%	0.273	10%	0.103	S	C	.	.			trans	51.7	44.3	-177.9	-163.5	33.5	0	0	0	114.1	L33 R36 S141 T581	L33-D143 HydrophobicContact CD1-CB 4.47Å; R36-D143 WeakPolarHBondContact CD-OD2 3.38Å; R36-D143 IonicContact CZ-OD1 3.8Å; R36-D143 IonicContact CZ-OD2 3.56Å; R36-D143 IonicContact NE-OD2 3.5Å; R36-D143 IonicContact NH1-OD1 2.77Å; R36-D143 PolarHBondContact NH1-OD1 3.2Å; R36-D143 IonicContact NH1-OD2 3.45Å; R36-D143 PolarHBondContact NH1-OD2 3.45Å; R36-D143 IonicContact NH2-OD1 2.86Å; S141-D143 PolarHBondContact OG-N 3.18Å; S141-D143 VanDerWaalsContact OG-N 3.08Å; D143-T581 PolarHBondContact N-O 2.96Å; D143-T581 VanDerWaalsContact N-O 3.1Å
144	S	94.5	Very high	94.8	Very high	14 Å²	14	21.4 Å²	21.4	10%	0.098	12%	0.116	C	C	.	.			trans	-131.1	71.7	-176.6	-165.5	0	0	0	0	112.6	L142 M146 S147 Q164 T581	L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.09Å; S144-M146 PolarHBondContact O-N 2.68Å; S144-S147 WeakPolarHBondContact CB-OG 3.37Å; S144-S147 WeakPolarHBondContact O-CB 3.35Å; S144-S147 PolarHBondContact O-N 3.33Å; S144-S147 VanDerWaalsContact O-N 3.12Å; S144-S147 PolarHBondContact O-OG 2.91Å; S144-S147 PolarHBondContact OG-OG 3.46Å; S144-Q164 PolarHBondContact OG-NE2 3.17Å; S144-Q164 VanDerWaalsContact OG-NE2 3.16Å; S144-T581 PolarHBondContact N-O 2.75Å; S144-T581 WeakPolarHBondContact O-CB 3.47Å
145	P	93.6	Very high	94.4	Very high	56 Å²	56	24 Å²	24	36%	0.364	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.8	175.1	-23.4	33.5	0	0	0	113	S147 F148 H582	P145-S147 PolarHBondContact O-N 3.11Å; P145-S147 VanDerWaalsContact O-N 3.08Å; P145-F148 VanDerWaalsContact O-CB 3.28Å; P145-F148 WeakPolarHBondContact O-CB 3.46Å; P145-F148 PolarHBondContact O-N 3.47Å; P145-H582 HydrophobicContact CG-CB 4.01Å
146	M	91.5	Very high	93.8	Very high	75 Å²	75	23 Å²	23	37%	0.369	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23	178.9	-69.4	-58.5	-64.6	0	0	113.6	S144 F148 Q149 Y150	S144-M146 PolarHBondContact O-N 2.68Å; M146-F148 PolarHBondContact O-N 3.31Å; M146-F148 VanDerWaalsContact O-N 3.15Å; M146-Q149 PolarHBondContact O-N 2.96Å; M146-Y150 HydrophobicContact CB-CD2 4.3Å; M146-Y150 HydrophobicContact CB-CE2 4.02Å; M146-Y150 WeakPolarHBondContact O-CD2 3.37Å; M146-Y150 PolarHBondContact O-N 3.46Å
147	S	92.8	Very high	92.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-26.5	174.1	-67	0	0	0	0	112.6	S144 P145 Q149 Y150 Y151 Q164 I168	S144-S147 WeakPolarHBondContact CB-OG 3.37Å; S144-S147 WeakPolarHBondContact O-CB 3.35Å; S144-S147 PolarHBondContact O-N 3.33Å; S144-S147 VanDerWaalsContact O-N 3.12Å; S144-S147 PolarHBondContact O-OG 2.91Å; S144-S147 PolarHBondContact OG-OG 3.46Å; P145-S147 PolarHBondContact O-N 3.11Å; P145-S147 VanDerWaalsContact O-N 3.08Å; S147-Q149 VanDerWaalsContact C-N 3.34Å; S147-Q149 PolarHBondContact O-N 3.17Å; S147-Y150 PolarHBondContact O-N 3.24Å; S147-Y151 WeakPolarHBondContact O-CB 3.15Å; S147-Y151 PolarHBondContact O-N 3.25Å; S147-Q164 PolarHBondContact OG-NE2 2.92Å; S147-Q164 VanDerWaalsContact OG-NE2 3.14Å; S147-I168 VanDerWaalsContact CB-CD1 3.48Å; S147-I168 WeakPolarHBondContact OG-CD1 3.33Å
148	F	95.8	Very high	92.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-48.3	171.5	-167.9	-77.6	0	0	0	111.3	P145 M146 Y151 F152 R231 L443 G552 F589 D592 L593 L596	P145-F148 VanDerWaalsContact O-CB 3.28Å; P145-F148 WeakPolarHBondContact O-CB 3.46Å; P145-F148 PolarHBondContact O-N 3.47Å; M146-F148 PolarHBondContact O-N 3.31Å; M146-F148 VanDerWaalsContact O-N 3.15Å; F148-Y151 PolarHBondContact O-N 3.3Å; F148-F152 AromaticContact CD1-CD2 3.97Å; F148-F152 HydrophobicContact CD1-CD2 3.97Å; F148-F152 AromaticContact CD2-CD2 4Å; F148-F152 HydrophobicContact CD2-CD2 4Å; F148-F152 HydrophobicContact CD2-CE2 4.13Å; F148-F152 HydrophobicContact CE1-CB 4.41Å; F148-F152 HydrophobicContact CE1-CD2 4.09Å; F148-F152 HydrophobicContact CE2-CD2 4.09Å; F148-F152 HydrophobicContact CE2-CE2 4.23Å; F148-F152 AromaticContact CG-CD2 3.93Å; F148-F152 HydrophobicContact CG-CD2 3.93Å; F148-F152 HydrophobicContact CG-CE2 4.45Å; F148-F152 HydrophobicContact CZ-CD2 4.14Å; F148-F152 WeakPolarHBondContact O-CB 3.36Å; F148-F152 VanDerWaalsContact O-CD2 3.29Å; F148-F152 WeakPolarHBondContact O-CD2 3.45Å; F148-F152 PolarHBondContact O-N 3.5Å; F148-R231 HydrophobicContact CE2-CG 4.18Å; F148-L443 HydrophobicContact CE1-CD1 4.39Å; F148-L443 HydrophobicContact CZ-CD1 3.99Å; F148-L443 HydrophobicContact CZ-CD2 4.19Å; F148-G552 WeakPolarHBondContact CD2-O 3.44Å; F148-F589 HydrophobicContact CE2-CD2 4.09Å; F148-F589 AromaticContact CE2-CE2 3.87Å; F148-F589 HydrophobicContact CE2-CE2 3.87Å; F148-F589 HydrophobicContact CZ-CD2 4.46Å; F148-F589 HydrophobicContact CZ-CE2 4.06Å; F148-D592 HydrophobicContact CD1-CB 3.79Å; F148-D592 HydrophobicContact CD2-CB 4.05Å; F148-D592 HydrophobicContact CE1-CB 3.84Å; F148-D592 WeakPolarHBondContact CE1-O 3.36Å; F148-D592 HydrophobicContact CE2-CB 4.13Å; F148-D592 HydrophobicContact CG-CB 3.89Å; F148-D592 HydrophobicContact CZ-CB 4.02Å; F148-L593 HydrophobicContact CZ-CD2 4.08Å; F148-L596 HydrophobicContact CD1-CD2 4.03Å; F148-L596 HydrophobicContact CD1-CG 4.41Å; F148-L596 HydrophobicContact CE1-CD1 3.74Å; F148-L596 HydrophobicContact CE1-CD2 3.91Å; F148-L596 HydrophobicContact CE1-CG 3.87Å
149	Q	94.3	Very high	91.2	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-47.4	179.9	-58.8	-54.3	-51.2	0	0	110.8	M146 S147 Y151 N153 D592 K595 P600	M146-Q149 PolarHBondContact O-N 2.96Å; S147-Q149 VanDerWaalsContact C-N 3.34Å; S147-Q149 PolarHBondContact O-N 3.17Å; Q149-Y151 PolarHBondContact O-N 3.11Å; Q149-N153 WeakPolarHBondContact O-CA 3.29Å; Q149-N153 WeakPolarHBondContact O-CB 3.41Å; Q149-N153 PolarHBondContact O-N 2.69Å; Q149-D592 PolarHBondContact NE2-O 2.88Å; Q149-K595 HydrophobicContact CG-CB 4.43Å; Q149-K595 PolarHBondContact OE1-O 3.37Å; Q149-P600 HydrophobicContact CB-CB 4.22Å; Q149-P600 HydrophobicContact CB-CG 4.33Å
150	Y	92.5	Very high	89.8	Confident	80 Å²	80	40.6 Å²	40.6	31%	0.314	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-29.5	179.3	-67	-68	0	0	0	113.4	M146 S147 A156 S161 Q164 R193 P600	M146-Y150 HydrophobicContact CB-CD2 4.3Å; M146-Y150 HydrophobicContact CB-CE2 4.02Å; M146-Y150 WeakPolarHBondContact O-CD2 3.37Å; M146-Y150 PolarHBondContact O-N 3.46Å; S147-Y150 PolarHBondContact O-N 3.24Å; Y150-A156 HydrophobicContact CD1-CB 4.41Å; Y150-S161 WeakPolarHBondContact O-CB 3.5Å; Y150-S161 PolarHBondContact O-OG 3.04Å; Y150-Q164 HydrophobicContact CD2-CB 4.19Å; Y150-Q164 HydrophobicContact CD2-CG 3.61Å; Y150-Q164 HydrophobicContact CE2-CG 4.26Å; Y150-Q164 HydrophobicContact CG-CB 4.12Å; Y150-Q164 HydrophobicContact CG-CG 3.95Å; Y150-R193 PolarHBondContact O-NH1 3.3Å; Y150-P600 HydrophobicContact CD1-CB 4.42Å; Y150-P600 HydrophobicContact CD1-CG 4.4Å; Y150-P600 HydrophobicContact CE1-CB 3.97Å; Y150-P600 HydrophobicContact CE1-CG 4.33Å
151	Y	95.2	Very high	88.6	Confident	3 Å²	3	41 Å²	41	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-85.2	-45.2	-179.4	-157.2	-108.3	0	0	0	113.2	S147 F148 Q149 R157 L165 F191 R193 N194 F197 D230 I551	S147-Y151 WeakPolarHBondContact O-CB 3.15Å; S147-Y151 PolarHBondContact O-N 3.25Å; F148-Y151 PolarHBondContact O-N 3.3Å; Q149-Y151 PolarHBondContact O-N 3.11Å; Y151-R157 PolarHBondContact O-NE 2.98Å; Y151-R157 PolarHBondContact O-NH2 2.96Å; Y151-L165 HydrophobicContact CD2-CD1 3.88Å; Y151-L165 HydrophobicContact CE2-CD1 3.83Å; Y151-L165 HydrophobicContact CE2-CD2 4.39Å; Y151-F191 AromaticContact CD1-CE1 3.89Å; Y151-F191 HydrophobicContact CD1-CE1 3.89Å; Y151-F191 HydrophobicContact CD1-CZ 4.39Å; Y151-F191 AromaticContact CE1-CD1 3.78Å; Y151-F191 HydrophobicContact CE1-CD1 3.78Å; Y151-F191 AromaticContact CE1-CE1 3.26Å; Y151-F191 HydrophobicContact CE1-CE1 3.26Å; Y151-F191 HydrophobicContact CE1-CZ 4.14Å; Y151-F191 AromaticContact CZ-CE1 3.88Å; Y151-R193 VanDerWaalsContact CA-NH1 3.3Å; Y151-R193 HydrophobicContact CE1-CB 4.47Å; Y151-R193 HydrophobicContact CE2-CB 3.95Å; Y151-R193 PolarHBondContact O-NH1 2.59Å; Y151-R193 VanDerWaalsContact OH-C 3.23Å; Y151-R193 WeakPolarHBondContact OH-CB 3.4Å; Y151-R193 PolarHBondContact OH-O 3.31Å; Y151-N194 WeakPolarHBondContact OH-CA 3.5Å; Y151-N194 PolarHBondContact OH-N 3.07Å; Y151-N194 PolarHBondContact OH-OD1 3.36Å; Y151-F197 HydrophobicContact CE2-CB 4.46Å; Y151-D230 HydrophobicContact CE1-CB 4.15Å; Y151-I551 HydrophobicContact CD1-CD1 4.09Å; Y151-I551 HydrophobicContact CD1-CG1 4Å; Y151-I551 HydrophobicContact CD1-CG2 3.82Å; Y151-I551 HydrophobicContact CD2-CD1 3.34Å; Y151-I551 HydrophobicContact CD2-CG1 4.14Å; Y151-I551 HydrophobicContact CE1-CD1 4.29Å; Y151-I551 HydrophobicContact CE1-CG1 4.35Å; Y151-I551 HydrophobicContact CE1-CG2 3.42Å; Y151-I551 VanDerWaalsContact CE1-CG2 3.42Å; Y151-I551 HydrophobicContact CE2-CD1 3.62Å; Y151-I551 HydrophobicContact CE2-CG2 4.46Å; Y151-I551 HydrophobicContact CG-CD1 3.6Å; Y151-I551 HydrophobicContact CG-CG1 3.86Å; Y151-I551 HydrophobicContact CG-CG2 4.44Å
152	F	95.4	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-97.5	-23.2	-171.8	-61.7	-70.8	0	0	0	114.6	F148 R157 F191 D230 R231 L443 L596	F148-F152 AromaticContact CD1-CD2 3.97Å; F148-F152 HydrophobicContact CD1-CD2 3.97Å; F148-F152 AromaticContact CD2-CD2 4Å; F148-F152 HydrophobicContact CD2-CD2 4Å; F148-F152 HydrophobicContact CD2-CE2 4.13Å; F148-F152 HydrophobicContact CE1-CB 4.41Å; F148-F152 HydrophobicContact CE1-CD2 4.09Å; F148-F152 HydrophobicContact CE2-CD2 4.09Å; F148-F152 HydrophobicContact CE2-CE2 4.23Å; F148-F152 AromaticContact CG-CD2 3.93Å; F148-F152 HydrophobicContact CG-CD2 3.93Å; F148-F152 HydrophobicContact CG-CE2 4.45Å; F148-F152 HydrophobicContact CZ-CD2 4.14Å; F148-F152 WeakPolarHBondContact O-CB 3.36Å; F148-F152 VanDerWaalsContact O-CD2 3.29Å; F148-F152 WeakPolarHBondContact O-CD2 3.45Å; F148-F152 PolarHBondContact O-N 3.5Å; F152-R157 PolarHBondContact O-NH2 3.3Å; F152-F191 HydrophobicContact CD1-CE1 4.46Å; F152-F191 HydrophobicContact CD1-CE2 4.06Å; F152-F191 AromaticContact CD1-CZ 3.61Å; F152-F191 HydrophobicContact CD1-CZ 3.61Å; F152-F191 HydrophobicContact CE1-CE1 4.15Å; F152-F191 AromaticContact CE1-CE2 3.95Å; F152-F191 HydrophobicContact CE1-CE2 3.95Å; F152-F191 AromaticContact CE1-CZ 3.58Å; F152-F191 HydrophobicContact CE1-CZ 3.58Å; F152-D230 HydrophobicContact CE1-CB 4.19Å; F152-D230 HydrophobicContact CZ-CB 4.11Å; F152-R231 HydrophobicContact CE2-CB 4.14Å; F152-R231 HydrophobicContact CZ-CB 3.92Å; F152-L443 HydrophobicContact CB-CD1 4.08Å; F152-L443 HydrophobicContact CD1-CB 4.46Å; F152-L443 HydrophobicContact CD1-CD1 3.96Å; F152-L443 HydrophobicContact CD1-CG 3.86Å; F152-L443 HydrophobicContact CD2-CD1 4.49Å; F152-L443 HydrophobicContact CE1-CB 4.5Å; F152-L443 HydrophobicContact CE1-CG 3.99Å; F152-L443 HydrophobicContact CG-CD1 3.92Å; F152-L443 HydrophobicContact CG-CG 4.19Å; F152-L443 HydrophobicContact CZ-CG 4.45Å; F152-L596 HydrophobicContact CB-CD1 4.2Å; F152-L596 HydrophobicContact CB-CD2 3.75Å
153	N	93.5	Very high	87.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.268	C	S	.	.			trans	-75.4	126	-174.1	-170.2	-50.2	0	0	0	112	Q149 V155 A156 R157 L596 Y598	Q149-N153 WeakPolarHBondContact O-CA 3.29Å; Q149-N153 WeakPolarHBondContact O-CB 3.41Å; Q149-N153 PolarHBondContact O-N 2.69Å; N153-V155 VanDerWaalsContact C-N 3.31Å; N153-V155 PolarHBondContact O-N 3.05Å; N153-V155 WeakPolarHBondContact OD1-CB 3.49Å; N153-V155 PolarHBondContact OD1-N 2.8Å; N153-A156 HydrophobicContact CB-CB 3.9Å; N153-A156 PolarHBondContact O-N 3.4Å; N153-A156 PolarHBondContact OD1-N 3.48Å; N153-R157 WeakPolarHBondContact O-CG 3.41Å; N153-R157 PolarHBondContact O-N 2.95Å; N153-R157 VanDerWaalsContact O-N 3.08Å; N153-L596 HydrophobicContact CB-CD2 3.89Å; N153-L596 PolarHBondContact ND2-O 3.05Å; N153-Y598 PolarHBondContact ND2-O 3.48Å
154	P	87.8	Confident	87.1	Confident	48 Å²	48	49 Å²	49	31%	0.312	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-32.8	-178.8	26.5	-35.3	0	0	0	113.6	R157 Q158	P154-R157 PolarHBondContact O-N 2.88Å; P154-Q158 PolarHBondContact O-N 3.47Å
155	V	87.5	Confident	87	Confident	55 Å²	55	48.5 Å²	48.5	33%	0.333	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-44.7	177.6	-179.2	0	0	0	0	110.3	N153 R157 Q158 Q159	N153-V155 VanDerWaalsContact C-N 3.31Å; N153-V155 PolarHBondContact O-N 3.05Å; N153-V155 WeakPolarHBondContact OD1-CB 3.49Å; N153-V155 PolarHBondContact OD1-N 2.8Å; V155-R157 PolarHBondContact O-N 3.35Å; V155-Q158 PolarHBondContact O-N 3.26Å; V155-Q158 VanDerWaalsContact O-N 3.09Å; V155-Q159 PolarHBondContact O-N 2.73Å
156	A	83.4	Confident	87	Confident	4 Å²	4	50 Å²	50	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-34	177.4	0	0	0	0	0	112.4	Y150 N153 Q158 Q159 P600	Y150-A156 HydrophobicContact CD1-CB 4.41Å; N153-A156 HydrophobicContact CB-CB 3.9Å; N153-A156 PolarHBondContact O-N 3.4Å; N153-A156 PolarHBondContact OD1-N 3.48Å; A156-Q158 VanDerWaalsContact C-N 3.3Å; A156-Q158 PolarHBondContact O-N 3.18Å; A156-Q159 PolarHBondContact O-N 3.06Å; A156-P600 HydrophobicContact CB-CG 3.47Å; A156-P600 VanDerWaalsContact CB-CG 3.47Å
157	R	77.1	Confident	87.1	Confident	77 Å²	77	50.9 Å²	50.9	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-37	174.9	-72.2	175.3	-170.3	-179.2	9.6	112.1	Y151 F152 N153 P154 V155 F191 H442	Y151-R157 PolarHBondContact O-NE 2.98Å; Y151-R157 PolarHBondContact O-NH2 2.96Å; F152-R157 PolarHBondContact O-NH2 3.3Å; N153-R157 WeakPolarHBondContact O-CG 3.41Å; N153-R157 PolarHBondContact O-N 2.95Å; N153-R157 VanDerWaalsContact O-N 3.08Å; P154-R157 PolarHBondContact O-N 2.88Å; V155-R157 PolarHBondContact O-N 3.35Å; R157-F191 VanDerWaalsContact NH2-CZ 3.29Å; R157-H442 PolarHBondContact NH2-O 3.35Å
158	Q	76.5	Confident	87.3	Confident	170 Å²	170	51 Å²	51	79%	0.794	26%	0.26	S	S	*	.	H	α-helix	trans	-75.9	-30.5	179.7	-67.3	176.5	4.2	0	0	113.1	P154 V155 A156 G160	P154-Q158 PolarHBondContact O-N 3.47Å; V155-Q158 PolarHBondContact O-N 3.26Å; V155-Q158 VanDerWaalsContact O-N 3.09Å; A156-Q158 VanDerWaalsContact C-N 3.3Å; A156-Q158 PolarHBondContact O-N 3.18Å; Q158-G160 VanDerWaalsContact C-N 3.33Å
159	Q	77.3	Confident	87.4	Confident	147 Å²	147	51 Å²	51	69%	0.687	26%	0.26	S	S	*	.	H	α-helix	trans	-83.6	-4.3	-176.8	-68.3	179.3	-12	0	0	114.3	V155 A156	V155-Q159 PolarHBondContact O-N 2.73Å; A156-Q159 PolarHBondContact O-N 3.06Å
160	G	68.3	Low	87.6	Confident	60 Å²	60	51.7 Å²	51.7	62%	0.619	26%	0.264	S	S	*	.			trans	85.9	88.7	-178.1	0	0	0	0	0	112.2	Q158 G162	Q158-G160 VanDerWaalsContact C-N 3.33Å; G160-G162 VanDerWaalsContact C-N 3.26Å; G160-G162 PolarHBondContact O-N 2.8Å
161	S	73.1	Confident	87.8	Confident	10 Å²	10	48 Å²	48	7%	0.07	25%	0.249	C	C	.	.			trans	-86.9	12	174.7	45.3	0	0	0	0	113.8	Y150 Q163 Q164 L165 R193	Y150-S161 WeakPolarHBondContact O-CB 3.5Å; Y150-S161 PolarHBondContact O-OG 3.04Å; S161-Q163 PolarHBondContact O-N 3.27Å; S161-Q164 PolarHBondContact O-N 3.17Å; S161-L165 PolarHBondContact O-N 2.81Å; S161-L165 VanDerWaalsContact O-N 3.16Å; S161-R193 PolarHBondContact OG-NH2 3.28Å
162	G	83.9	Confident	88	Confident	24 Å²	24	47.8 Å²	47.8	25%	0.247	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-47.4	-172.3	0	0	0	0	0	113.4	G160 Q164 L165 E166	G160-G162 VanDerWaalsContact C-N 3.26Å; G160-G162 PolarHBondContact O-N 2.8Å; G162-Q164 VanDerWaalsContact C-N 3.33Å; G162-Q164 PolarHBondContact O-N 2.79Å; G162-L165 PolarHBondContact O-N 2.83Å; G162-E166 WeakPolarHBondContact O-CB 3.18Å; G162-E166 WeakPolarHBondContact O-CG 3.35Å; G162-E166 PolarHBondContact O-N 3.29Å
163	Q	87.2	Confident	88.1	Confident	167 Å²	167	47.8 Å²	47.8	78%	0.78	25%	0.249	S	C	*	.	H	α-helix	trans	-59	-41.3	-179.8	-66.5	179.4	2	0	0	113	S161 L165 R167	S161-Q163 PolarHBondContact O-N 3.27Å; Q163-L165 VanDerWaalsContact C-N 3.35Å; Q163-R167 WeakPolarHBondContact O-CB 3.27Å; Q163-R167 PolarHBondContact O-N 2.91Å
164	Q	88.8	Confident	88.3	Confident	33 Å²	33	47.8 Å²	47.8	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-37.4	178	-175.8	62.6	34.4	0	0	111.1	S144 S147 Y150 S161 G162 R167 I168	S144-Q164 PolarHBondContact OG-NE2 3.17Å; S144-Q164 VanDerWaalsContact OG-NE2 3.16Å; S147-Q164 PolarHBondContact OG-NE2 2.92Å; S147-Q164 VanDerWaalsContact OG-NE2 3.14Å; Y150-Q164 HydrophobicContact CD2-CB 4.19Å; Y150-Q164 HydrophobicContact CD2-CG 3.61Å; Y150-Q164 HydrophobicContact CE2-CG 4.26Å; Y150-Q164 HydrophobicContact CG-CB 4.12Å; Y150-Q164 HydrophobicContact CG-CG 3.95Å; S161-Q164 PolarHBondContact O-N 3.17Å; G162-Q164 VanDerWaalsContact C-N 3.33Å; G162-Q164 PolarHBondContact O-N 2.79Å; Q164-R167 PolarHBondContact O-N 3.08Å; Q164-I168 VanDerWaalsContact O-CG1 3.29Å; Q164-I168 WeakPolarHBondContact O-CG1 3.36Å; Q164-I168 PolarHBondContact O-N 2.69Å
165	L	92.1	Very high	88.8	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-39.2	178.9	-166.4	60.4	0	0	0	111.9	Y151 S161 G162 Q163 R167 I168 A169 E196 F197 L200 I551	Y151-L165 HydrophobicContact CD2-CD1 3.88Å; Y151-L165 HydrophobicContact CE2-CD1 3.83Å; Y151-L165 HydrophobicContact CE2-CD2 4.39Å; S161-L165 PolarHBondContact O-N 2.81Å; S161-L165 VanDerWaalsContact O-N 3.16Å; G162-L165 PolarHBondContact O-N 2.83Å; Q163-L165 VanDerWaalsContact C-N 3.35Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.77Å; L165-I168 HydrophobicContact CD1-CD1 4.36Å; L165-I168 PolarHBondContact O-N 2.94Å; L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 2.75Å; L165-E196 HydrophobicContact CD2-CG 4.49Å; L165-F197 HydrophobicContact CD1-CB 4.18Å; L165-F197 HydrophobicContact CD1-CD2 3.29Å; L165-F197 HydrophobicContact CD1-CE2 3.73Å; L165-F197 HydrophobicContact CD1-CG 3.8Å; L165-F197 HydrophobicContact CD2-CB 4.2Å; L165-F197 HydrophobicContact CD2-CD2 4.36Å; L165-F197 HydrophobicContact CG-CB 4.48Å; L165-F197 HydrophobicContact CG-CD2 3.74Å; L165-F197 HydrophobicContact CG-CE2 4.41Å; L165-F197 HydrophobicContact CG-CG 4.41Å; L165-L200 HydrophobicContact CB-CD1 4Å; L165-L200 HydrophobicContact CD2-CD1 3.62Å; L165-L200 HydrophobicContact CG-CD1 3.62Å; L165-I551 HydrophobicContact CD1-CD1 3.82Å
166	E	94	Very high	89.3	Confident	89 Å²	89	42.9 Å²	42.9	42%	0.416	22%	0.218	S	C	.	.	H	α-helix	trans	-59.1	-42.2	170.7	-77.7	172.1	-155.3	0	0	111.6	G162 A169 E170 L200	G162-E166 WeakPolarHBondContact O-CB 3.18Å; G162-E166 WeakPolarHBondContact O-CG 3.35Å; G162-E166 PolarHBondContact O-N 3.29Å; E166-A169 WeakPolarHBondContact O-CB 3.27Å; E166-A169 PolarHBondContact O-N 2.76Å; E166-E170 WeakPolarHBondContact O-CB 3.46Å; E166-E170 PolarHBondContact O-N 2.86Å; E166-L200 HydrophobicContact CG-CD1 4.3Å; E166-L200 HydrophobicContact CG-CD2 3.89Å
167	R	93.5	Very high	89.9	Confident	92 Å²	92	43.7 Å²	43.7	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-47.2	175	-175.6	178.5	179.2	-171.5	0	111.9	Q163 Q164 L165 A169 E170 Q171	Q163-R167 WeakPolarHBondContact O-CB 3.27Å; Q163-R167 PolarHBondContact O-N 2.91Å; Q164-R167 PolarHBondContact O-N 3.08Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.77Å; R167-A169 PolarHBondContact O-N 3.3Å; R167-E170 WeakPolarHBondContact O-CB 3.46Å; R167-E170 PolarHBondContact O-N 3.38Å; R167-Q171 VanDerWaalsContact O-CG 3.3Å; R167-Q171 WeakPolarHBondContact O-CG 3.27Å; R167-Q171 PolarHBondContact O-N 3.46Å
168	I	96.5	Very high	90.8	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-42	175.6	-64.9	166.3	0	0	0	110.3	L142 S147 Q164 L165 Q171 I172 F197 F549 I551 T581	L142-I168 HydrophobicContact CD1-CB 4.3Å; L142-I168 HydrophobicContact CD1-CG2 3.56Å; S147-I168 VanDerWaalsContact CB-CD1 3.48Å; S147-I168 WeakPolarHBondContact OG-CD1 3.33Å; Q164-I168 VanDerWaalsContact O-CG1 3.29Å; Q164-I168 WeakPolarHBondContact O-CG1 3.36Å; Q164-I168 PolarHBondContact O-N 2.69Å; L165-I168 HydrophobicContact CD1-CD1 4.36Å; L165-I168 PolarHBondContact O-N 2.94Å; I168-Q171 PolarHBondContact O-N 2.85Å; I168-I172 HydrophobicContact CG2-CD1 4.09Å; I168-I172 WeakPolarHBondContact O-CG1 3.4Å; I168-I172 PolarHBondContact O-N 3.03Å; I168-F197 HydrophobicContact CB-CE2 4.23Å; I168-F197 HydrophobicContact CG2-CE2 3.65Å; I168-F197 HydrophobicContact CG2-CZ 3.47Å; I168-F197 VanDerWaalsContact CG2-CZ 3.47Å; I168-F549 HydrophobicContact CG2-CE1 4.03Å; I168-F549 HydrophobicContact CG2-CZ 3.9Å; I168-I551 HydrophobicContact CD1-CD1 3.92Å; I168-T581 HydrophobicContact CD1-CG2 4.34Å
169	A	97.9	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-42.2	177.8	0	0	0	0	0	112.5	L165 E166 R167 I172 A173 F197 L200 V201 K204	L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 2.75Å; E166-A169 WeakPolarHBondContact O-CB 3.27Å; E166-A169 PolarHBondContact O-N 2.76Å; R167-A169 PolarHBondContact O-N 3.3Å; A169-I172 PolarHBondContact O-N 2.99Å; A169-A173 WeakPolarHBondContact O-CB 3.4Å; A169-A173 PolarHBondContact O-N 2.77Å; A169-F197 HydrophobicContact CB-CE2 4.34Å; A169-L200 HydrophobicContact CB-CB 3.91Å; A169-V201 HydrophobicContact CB-CB 4.49Å; A169-V201 HydrophobicContact CB-CG2 3.82Å; A169-K204 HydrophobicContact CB-CG 4.1Å
170	E	97.5	Very high	92.5	Very high	18 Å²	18	27.7 Å²	27.7	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-56.4	-52.2	172.8	-169.6	69.2	-114.6	0	0	110.6	E103 E166 R167 I172 A173 T174 K204 Y208	E103-E170 HydrophobicContact CB-CG 3.96Å; E103-E170 HydrophobicContact CG-CG 4.21Å; E103-E170 WeakPolarHBondContact OE2-CG 3.41Å; E166-E170 WeakPolarHBondContact O-CB 3.46Å; E166-E170 PolarHBondContact O-N 2.86Å; R167-E170 WeakPolarHBondContact O-CB 3.46Å; R167-E170 PolarHBondContact O-N 3.38Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 2.89Å; E170-A173 CarbonylContact O-C 3.57Å; E170-A173 WeakPolarHBondContact O-CA 3.36Å; E170-A173 WeakPolarHBondContact O-CB 3.39Å; E170-A173 PolarHBondContact O-N 2.97Å; E170-T174 WeakPolarHBondContact O-CG2 3.47Å; E170-T174 PolarHBondContact O-N 3.33Å; E170-K204 VanDerWaalsContact OE2-CD 3.26Å; E170-K204 WeakPolarHBondContact OE2-CD 3.49Å; E170-K204 WeakPolarHBondContact OE2-CE 3.34Å; E170-K204 IonicContact OE2-NZ 3.72Å; E170-K204 PolarHBondContact OE2-NZ 3Å; E170-Y208 WeakPolarHBondContact OE1-CE2 3.46Å; E170-Y208 PolarHBondContact OE1-OH 3.46Å; E170-Y208 VanDerWaalsContact OE1-OH 3.05Å
171	Q	98	Very high	93.8	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-39.7	179.9	-63.4	-178.4	-81.5	0	0	112.5	A131 L142 R167 I168 A173 T174 L175	A131-Q171 HydrophobicContact CB-CG 4.04Å; A131-Q171 VanDerWaalsContact O-CB 3.27Å; A131-Q171 WeakPolarHBondContact O-CB 3.35Å; A131-Q171 WeakPolarHBondContact O-CG 3.49Å; A131-Q171 PolarHBondContact O-NE2 2.87Å; L142-Q171 HydrophobicContact CD1-CB 4.2Å; L142-Q171 HydrophobicContact CD2-CB 3.83Å; L142-Q171 HydrophobicContact CG-CB 4.44Å; L142-Q171 PolarHBondContact O-NE2 2.73Å; R167-Q171 VanDerWaalsContact O-CG 3.3Å; R167-Q171 WeakPolarHBondContact O-CG 3.27Å; R167-Q171 PolarHBondContact O-N 3.46Å; I168-Q171 PolarHBondContact O-N 2.85Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-T174 PolarHBondContact O-N 2.88Å; Q171-T174 PolarHBondContact O-OG1 2.87Å; Q171-L175 PolarHBondContact O-N 3.02Å; Q171-L175 VanDerWaalsContact O-N 3.17Å
172	I	98.6	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-39.3	173.8	-68.4	167.6	0	0	0	111.3	L142 I168 A169 E170 T174 L175 C176 F197 V201 L226 F549	L142-I172 HydrophobicContact CD1-CG1 4.07Å; I168-I172 HydrophobicContact CG2-CD1 4.09Å; I168-I172 WeakPolarHBondContact O-CG1 3.4Å; I168-I172 PolarHBondContact O-N 3.03Å; A169-I172 PolarHBondContact O-N 2.99Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 2.89Å; I172-T174 VanDerWaalsContact C-N 3.34Å; I172-L175 WeakPolarHBondContact O-CB 3.38Å; I172-L175 PolarHBondContact O-N 3.32Å; I172-C176 PolarHBondContact O-N 3.48Å; I172-C176 VanDerWaalsContact O-N 3.08Å; I172-C176 PolarHBondContact O-SG 2.63Å; I172-F197 HydrophobicContact CD1-CE1 4.34Å; I172-F197 HydrophobicContact CD1-CE2 4.22Å; I172-F197 HydrophobicContact CD1-CZ 3.51Å; I172-V201 HydrophobicContact CD1-CG2 4.17Å; I172-V201 HydrophobicContact CG2-CG1 3.97Å; I172-L226 HydrophobicContact CG2-CD1 4.49Å; I172-L226 HydrophobicContact CG2-CD2 3.7Å; I172-F549 HydrophobicContact CD1-CD1 3.54Å; I172-F549 HydrophobicContact CD1-CD2 4.12Å; I172-F549 HydrophobicContact CD1-CE1 3.59Å; I172-F549 HydrophobicContact CD1-CE2 4.15Å; I172-F549 HydrophobicContact CD1-CG 3.8Å; I172-F549 HydrophobicContact CD1-CZ 3.89Å; I172-F549 HydrophobicContact CG1-CD2 4.26Å; I172-F549 HydrophobicContact CG1-CE2 4.26Å; I172-F549 HydrophobicContact CG1-CG 4.36Å; I172-F549 HydrophobicContact CG1-CZ 4.39Å
173	A	98.3	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-37.3	177.5	0	0	0	0	0	111.4	A169 E170 Q171 L175 C176 A177 K204 L205 Y208	A169-A173 WeakPolarHBondContact O-CB 3.4Å; A169-A173 PolarHBondContact O-N 2.77Å; E170-A173 CarbonylContact O-C 3.57Å; E170-A173 WeakPolarHBondContact O-CA 3.36Å; E170-A173 WeakPolarHBondContact O-CB 3.39Å; E170-A173 PolarHBondContact O-N 2.97Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 2.84Å; A173-C176 PolarHBondContact O-N 2.99Å; A173-C176 VanDerWaalsContact O-N 3.13Å; A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.03Å; A173-K204 HydrophobicContact CB-CB 3.6Å; A173-L205 HydrophobicContact CB-CD2 4Å; A173-L205 HydrophobicContact CB-CG 4.47Å; A173-Y208 HydrophobicContact CB-CD2 3.55Å; A173-Y208 HydrophobicContact CB-CE2 3.65Å
174	T	97.8	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-36.8	172.3	70.1	0	0	0	0	113.2	E103 N129 A131 E170 Q171 I172 A177 T178 Y208	E103-T174 HydrophobicContact CB-CG2 3.81Å; N129-T174 HydrophobicContact CB-CG2 4.15Å; A131-T174 HydrophobicContact CB-CG2 4.05Å; A131-T174 PolarHBondContact N-OG1 3.22Å; A131-T174 VanDerWaalsContact N-OG1 3.17Å; E170-T174 WeakPolarHBondContact O-CG2 3.47Å; E170-T174 PolarHBondContact O-N 3.33Å; Q171-T174 PolarHBondContact O-N 2.88Å; Q171-T174 PolarHBondContact O-OG1 2.87Å; I172-T174 VanDerWaalsContact C-N 3.34Å; T174-A177 PolarHBondContact O-N 2.95Å; T174-T178 WeakPolarHBondContact O-CB 3.31Å; T174-T178 PolarHBondContact O-N 3.03Å; T174-T178 PolarHBondContact O-OG1 3.46Å; T174-Y208 HydrophobicContact CG2-CE2 4.47Å; T174-Y208 WeakPolarHBondContact CG2-OH 3.46Å
175	L	98.1	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-48.9	171.4	168.5	72.1	0	0	0	110.8	L3 F132 F140 Q171 I172 A173 T178 L179 I547	L3-L175 HydrophobicContact CD2-CD1 3.73Å; F132-L175 HydrophobicContact CD1-CB 3.85Å; F132-L175 HydrophobicContact CD1-CD1 4.41Å; F132-L175 HydrophobicContact CD2-CD1 3.94Å; F132-L175 VanDerWaalsContact CE1-CA 3.47Å; F132-L175 HydrophobicContact CE1-CB 4.02Å; F132-L175 HydrophobicContact CE1-CD1 4.09Å; F132-L175 HydrophobicContact CE2-CD1 3.53Å; F132-L175 HydrophobicContact CG-CB 4.15Å; F132-L175 HydrophobicContact CG-CD1 4.35Å; F132-L175 HydrophobicContact CZ-CB 4.42Å; F132-L175 HydrophobicContact CZ-CD1 3.62Å; F140-L175 HydrophobicContact CD1-CD1 4.47Å; F140-L175 HydrophobicContact CD1-CD2 3.71Å; F140-L175 HydrophobicContact CD2-CD2 3.83Å; F140-L175 HydrophobicContact CE1-CD2 3.46Å; F140-L175 VanDerWaalsContact CE1-CD2 3.46Å; F140-L175 HydrophobicContact CE2-CD2 3.57Å; F140-L175 HydrophobicContact CG-CD1 4.42Å; F140-L175 HydrophobicContact CG-CD2 3.89Å; F140-L175 HydrophobicContact CZ-CD2 3.37Å; Q171-L175 PolarHBondContact O-N 3.02Å; Q171-L175 VanDerWaalsContact O-N 3.17Å; I172-L175 WeakPolarHBondContact O-CB 3.38Å; I172-L175 PolarHBondContact O-N 3.32Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 2.84Å; L175-T178 PolarHBondContact O-N 3.47Å; L175-L179 HydrophobicContact CD1-CD1 3.94Å; L175-L179 HydrophobicContact CD1-CG 4.38Å; L175-L179 HydrophobicContact CG-CD1 4.13Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.2Å; L175-I547 HydrophobicContact CD2-CG2 4.17Å
176	C	97.8	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-43.6	179.7	-62.9	0	0	0	0	111.1	I172 A173 T178 L179 G180 E181 L205 M215	I172-C176 PolarHBondContact O-N 3.48Å; I172-C176 VanDerWaalsContact O-N 3.08Å; I172-C176 PolarHBondContact O-SG 2.63Å; A173-C176 PolarHBondContact O-N 2.99Å; A173-C176 VanDerWaalsContact O-N 3.13Å; C176-T178 PolarHBondContact O-N 3.03Å; C176-L179 CarbonylContact O-C 3.49Å; C176-L179 PolarHBondContact O-N 3.35Å; C176-L179 VanDerWaalsContact O-N 3.17Å; C176-G180 PolarHBondContact O-N 3.46Å; C176-E181 WeakPolarHBondContact CB-O 3.25Å; C176-E181 PolarHBondContact O-N 3.17Å; C176-L205 HydrophobicContact CB-CD2 3.49Å; C176-L205 VanDerWaalsContact CB-CD2 3.49Å; C176-M215 HydrophobicContact CB-CE 3.79Å
177	A	96.1	Very high	96.9	Very high	22 Å²	22	16.8 Å²	16.8	18%	0.182	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-43.2	175.8	0	0	0	0	0	111.9	N129 A173 T174 L179 G180 Y208 M215	N129-A177 HydrophobicContact CB-CB 4.45Å; A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.03Å; T174-A177 PolarHBondContact O-N 2.95Å; A177-L179 VanDerWaalsContact C-N 3.27Å; A177-L179 PolarHBondContact O-N 3.15Å; A177-G180 WeakPolarHBondContact O-CA 3.44Å; A177-G180 PolarHBondContact O-N 3.37Å; A177-Y208 HydrophobicContact CB-CD1 4.16Å; A177-Y208 HydrophobicContact CB-CG 4.38Å; A177-M215 HydrophobicContact CB-CE 4.24Å
178	T	95.5	Very high	97.1	Very high	24 Å²	24	12.9 Å²	12.9	15%	0.147	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-35.9	174.7	-70	0	0	0	0	112.4	A6 V7 N129 F132 T174 L175 C176 G180	A6-T178 HydrophobicContact CB-CG2 4.15Å; V7-T178 HydrophobicContact CG2-CG2 4.11Å; N129-T178 PolarHBondContact O-OG1 2.77Å; F132-T178 HydrophobicContact CE1-CG2 4.3Å; F132-T178 HydrophobicContact CZ-CG2 4.05Å; T174-T178 WeakPolarHBondContact O-CB 3.31Å; T174-T178 PolarHBondContact O-N 3.03Å; T174-T178 PolarHBondContact O-OG1 3.46Å; L175-T178 PolarHBondContact O-N 3.47Å; C176-T178 PolarHBondContact O-N 3.03Å; T178-G180 VanDerWaalsContact C-N 3.28Å
179	L	94.5	Very high	97.1	Very high	20 Å²	20	15 Å²	15	11%	0.105	8%	0.082	C	C	.	.	H	α-helix	trans	-80.7	-10.1	175.4	-67.6	172.9	0	0	0	113.2	L3 L175 C176 A177 E181 R545 I547 I577	L3-L179 HydrophobicContact CD2-CD1 4.31Å; L3-L179 HydrophobicContact CD2-CD2 3.76Å; L3-L179 HydrophobicContact CD2-CG 4.26Å; L175-L179 HydrophobicContact CD1-CD1 3.94Å; L175-L179 HydrophobicContact CD1-CG 4.38Å; L175-L179 HydrophobicContact CG-CD1 4.13Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.2Å; C176-L179 CarbonylContact O-C 3.49Å; C176-L179 PolarHBondContact O-N 3.35Å; C176-L179 VanDerWaalsContact O-N 3.17Å; A177-L179 VanDerWaalsContact C-N 3.27Å; A177-L179 PolarHBondContact O-N 3.15Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 HydrophobicContact CB-CB 4.34Å; L179-E181 HydrophobicContact CB-CG 3.75Å; L179-R545 PolarHBondContact O-NH1 3.5Å; L179-I547 HydrophobicContact CD1-CD1 4.07Å; L179-I577 HydrophobicContact CD1-CD1 3.54Å; L179-I577 HydrophobicContact CD2-CD1 4.05Å; L179-I577 HydrophobicContact CG-CD1 4.47Å
180	G	94.8	Very high	96.9	Very high	14 Å²	14	18.8 Å²	18.8	14%	0.144	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	27.2	-171.5	0	0	0	0	0	113.2	C176 A177 T178 G216 K221	C176-G180 PolarHBondContact O-N 3.46Å; A177-G180 WeakPolarHBondContact O-CA 3.44Å; A177-G180 PolarHBondContact O-N 3.37Å; T178-G180 VanDerWaalsContact C-N 3.28Å; G180-G216 PolarHBondContact O-N 3.39Å; G180-K221 WeakPolarHBondContact O-CD 3.31Å; G180-K221 VanDerWaalsContact O-CE 3.27Å; G180-K221 WeakPolarHBondContact O-CE 3.47Å; G180-K221 PolarHBondContact O-NZ 3.38Å
181	E	95.8	Very high	96.8	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.023	10%	0.099	C	C	.	.			trans	-100.1	139.4	-175.4	-67.6	-67.6	173.1	0	0	111.6	C176 L179 P183 M215 S224 R545	C176-E181 WeakPolarHBondContact CB-O 3.25Å; C176-E181 PolarHBondContact O-N 3.17Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 HydrophobicContact CB-CB 4.34Å; L179-E181 HydrophobicContact CB-CG 3.75Å; E181-P183 VanDerWaalsContact C-CD 3.49Å; E181-P183 WeakPolarHBondContact O-CD 3.41Å; E181-M215 WeakPolarHBondContact O-CE 3.4Å; E181-M215 WeakPolarHBondContact O-CG 3.27Å; E181-S224 PolarHBondContact OE1-OG 2.78Å; E181-S224 WeakPolarHBondContact OE2-CB 3.01Å; E181-S224 PolarHBondContact OE2-OG 3.32Å; E181-R545 VanDerWaalsContact OE1-CD 3.27Å; E181-R545 WeakPolarHBondContact OE1-CD 3.38Å; E181-R545 IonicContact OE1-CZ 3.27Å; E181-R545 IonicContact OE1-NE 3.54Å; E181-R545 IonicContact OE1-NH1 3.97Å; E181-R545 PolarHBondContact OE1-NH1 3.3Å
182	Y	96.8	Very high	96.4	Very high	78 Å²	78	26 Å²	26	31%	0.306	13%	0.133	S	C	.	.			trans	-119.9	75.6	166	-177.7	-106.5	0	0	0	107.9	Q202 L205 D206 K209	Y182-Q202 PolarHBondContact OH-NE2 3.02Å; Y182-Q202 VanDerWaalsContact OH-NE2 3.08Å; Y182-L205 HydrophobicContact CD2-CB 4.09Å; Y182-L205 HydrophobicContact CE2-CB 3.9Å; Y182-D206 PolarHBondContact OH-OD1 2.65Å; Y182-K209 HydrophobicContact CD2-CB 3.94Å; Y182-K209 HydrophobicContact CD2-CG 4.29Å; Y182-K209 HydrophobicContact CE2-CB 3.98Å; Y182-K209 HydrophobicContact CE2-CG 4.34Å
183	P	96.9	Very high	96.2	Very high	2 Å²	2	27 Å²	27	1%	0.013	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-76	149.3	-167.9	31.3	-35.8	0	0	0	111.8	E181 I185 L205 S224 L226	E181-P183 VanDerWaalsContact C-CD 3.49Å; E181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-I185 PolarHBondContact O-N 2.84Å; P183-L205 HydrophobicContact CG-CD1 4.35Å; P183-S224 WeakPolarHBondContact CA-O 3.17Å; P183-L226 HydrophobicContact CB-CB 3.95Å; P183-L226 HydrophobicContact CG-CB 3.67Å; P183-L226 HydrophobicContact CG-CD2 4.49Å
184	V	96.7	Very high	96.1	Very high	46 Å²	46	27 Å²	27	28%	0.279	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.9	167.4	179.1	0	0	0	0	109	S224 Q225 L226 Y507	V184-S224 PolarHBondContact N-O 3.34Å; V184-Q225 WeakPolarHBondContact O-CA 3.48Å; V184-L226 PolarHBondContact O-N 2.87Å; V184-Y507 HydrophobicContact CG1-CD1 3.44Å; V184-Y507 VanDerWaalsContact CG1-CD1 3.44Å; V184-Y507 HydrophobicContact CG1-CE1 3.84Å
185	I	98.4	Very high	96	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.5	180	-58	178.2	0	0	0	110.7	P183 A198 V201 Q202 L205 L226 L228 Y507 F508	P183-I185 PolarHBondContact O-N 2.84Å; I185-A198 HydrophobicContact CG2-CB 3.92Å; I185-V201 HydrophobicContact CD1-CB 3.98Å; I185-V201 HydrophobicContact CD1-CG1 3.69Å; I185-Q202 HydrophobicContact CD1-CB 3.92Å; I185-L205 HydrophobicContact CD1-CD1 3.99Å; I185-L205 HydrophobicContact CG1-CD1 4.26Å; I185-L226 CarbonylContact C-O 3.53Å; I185-L226 WeakPolarHBondContact CA-O 3.2Å; I185-L226 HydrophobicContact CG1-CB 4.48Å; I185-L226 HydrophobicContact CG1-CD2 4.3Å; I185-L228 HydrophobicContact CG2-CD1 3.84Å; I185-L228 HydrophobicContact CG2-CG 4.18Å; I185-Y507 WeakPolarHBondContact O-CA 3.35Å; I185-F508 HydrophobicContact CB-CB 4.01Å; I185-F508 HydrophobicContact CG2-CB 4.2Å; I185-F508 PolarHBondContact O-N 3.43Å
186	R	98.2	Very high	95.8	Very high	3 Å²	3	33 Å²	33	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.6	164.7	-60.6	-178	69.9	174.8	0.1	109.5	L226 I227 L228 L500 F505 Q506 Y507	R186-L226 PolarHBondContact N-O 2.89Å; R186-I227 HydrophobicContact CB-CG1 4.31Å; R186-I227 CarbonylContact O-C 3.58Å; R186-I227 WeakPolarHBondContact O-CA 3.44Å; R186-L228 PolarHBondContact O-N 3.33Å; R186-L500 PolarHBondContact NH2-O 3.01Å; R186-F505 PolarHBondContact NE-O 2.86Å; R186-F505 PolarHBondContact NH2-O 3.16Å; R186-Q506 WeakPolarHBondContact CA-O 3.44Å; R186-Y507 HydrophobicContact CG-CD1 3.59Å; R186-Y507 HydrophobicContact CG-CE1 3.69Å; R186-Y507 HydrophobicContact CG-CG 4.24Å
187	Y	98.2	Very high	95.8	Very high	23 Å²	23	33 Å²	33	9%	0.09	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.7	179.3	63.7	-89.1	0	0	0	111.9	T189 N194 A195 A198 L228 F505 Q506 F508	Y187-T189 HydrophobicContact CE2-CG2 4.09Å; Y187-T189 PolarHBondContact O-N 3.14Å; Y187-N194 HydrophobicContact CD2-CB 3.96Å; Y187-N194 HydrophobicContact CG-CB 4.49Å; Y187-A195 HydrophobicContact CD2-CB 4.49Å; Y187-A195 HydrophobicContact CE2-CB 3.76Å; Y187-A198 HydrophobicContact CD1-CB 3.53Å; Y187-A198 HydrophobicContact CE1-CB 4.14Å; Y187-A198 HydrophobicContact CG-CB 3.96Å; Y187-L228 WeakPolarHBondContact CA-O 3.16Å; Y187-F505 VanDerWaalsContact O-CA 3.3Å; Y187-F505 WeakPolarHBondContact O-CA 3.35Å; Y187-Q506 HydrophobicContact CE1-CB 4.37Å; Y187-Q506 PolarHBondContact N-O 3.45Å; Y187-Q506 PolarHBondContact O-N 3.45Å; Y187-Q506 PolarHBondContact OH-OE1 3.43Å; Y187-Q506 VanDerWaalsContact OH-OE1 3.13Å; Y187-F508 HydrophobicContact CD1-CB 4.49Å; Y187-F508 HydrophobicContact CE1-CB 4.33Å; Y187-F508 HydrophobicContact CE1-CD2 4.28Å
188	R	97.5	Very high	95.8	Very high	9 Å²	9	32 Å²	32	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122	174.7	178.4	175.3	172.7	-106.2	1.4	110.7	Q190 N194 L228 L229 D230 L504 F505	R188-Q190 HydrophobicContact CG-CB 4.28Å; R188-N194 WeakPolarHBondContact O-CB 3.36Å; R188-N194 PolarHBondContact O-ND2 3.32Å; R188-L228 PolarHBondContact N-O 3.09Å; R188-L229 HydrophobicContact CB-CD2 4.26Å; R188-D230 IonicContact CZ-OD1 2.89Å; R188-D230 IonicContact NH1-OD1 3.53Å; R188-D230 PolarHBondContact NH1-OD1 2.77Å; R188-D230 IonicContact NH1-OD2 3.7Å; R188-D230 PolarHBondContact NH1-OD2 3.16Å; R188-L504 CarbonylContact C-O 3.41Å; R188-L504 VanDerWaalsContact CA-O 3.31Å; R188-L504 WeakPolarHBondContact CA-O 3.46Å; R188-F505 HydrophobicContact CB-CD1 4.17Å; R188-F505 HydrophobicContact CB-CE1 3.86Å; R188-F505 HydrophobicContact CG-CE1 4.29Å
189	T	95.6	Very high	95.9	Very high	48 Å²	48	35.3 Å²	35.3	29%	0.294	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.5	-175.1	57.6	0	0	0	0	114.4	Y187 F191 K503 L504 Q506	Y187-T189 HydrophobicContact CE2-CG2 4.09Å; Y187-T189 PolarHBondContact O-N 3.14Å; T189-F191 PolarHBondContact O-N 3.41Å; T189-K503 WeakPolarHBondContact CG2-O 3.36Å; T189-K503 PolarHBondContact OG1-O 3.18Å; T189-L504 PolarHBondContact N-O 3.31Å; T189-L504 PolarHBondContact OG1-O 3.03Å; T189-Q506 HydrophobicContact CG2-CB 3.59Å
190	Q	93.8	Very high	96.1	Very high	79 Å²	79	35.3 Å²	35.3	37%	0.369	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.8	-178.2	-67.4	-176.5	-36.5	0	0	114.3	R188 L504	R188-Q190 HydrophobicContact CG-CB 4.28Å; Q190-L504 HydrophobicContact CG-CD2 4.06Å
191	F	94.6	Very high	96.2	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	17%	0.17	C	C	.	.	S	Bend	trans	-130.6	109.6	172	-165.9	-93.6	0	0	0	108.7	Y151 F152 R157 T189 R193 N194 D230	Y151-F191 AromaticContact CD1-CE1 3.89Å; Y151-F191 HydrophobicContact CD1-CE1 3.89Å; Y151-F191 HydrophobicContact CD1-CZ 4.39Å; Y151-F191 AromaticContact CE1-CD1 3.78Å; Y151-F191 HydrophobicContact CE1-CD1 3.78Å; Y151-F191 AromaticContact CE1-CE1 3.26Å; Y151-F191 HydrophobicContact CE1-CE1 3.26Å; Y151-F191 HydrophobicContact CE1-CZ 4.14Å; Y151-F191 AromaticContact CZ-CE1 3.88Å; F152-F191 HydrophobicContact CD1-CE1 4.46Å; F152-F191 HydrophobicContact CD1-CE2 4.06Å; F152-F191 AromaticContact CD1-CZ 3.61Å; F152-F191 HydrophobicContact CD1-CZ 3.61Å; F152-F191 HydrophobicContact CE1-CE1 4.15Å; F152-F191 AromaticContact CE1-CE2 3.95Å; F152-F191 HydrophobicContact CE1-CE2 3.95Å; F152-F191 AromaticContact CE1-CZ 3.58Å; F152-F191 HydrophobicContact CE1-CZ 3.58Å; R157-F191 VanDerWaalsContact NH2-CZ 3.29Å; T189-F191 PolarHBondContact O-N 3.41Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 HydrophobicContact CD1-CB 4.06Å; F191-R193 HydrophobicContact CE1-CB 3.85Å; F191-R193 HydrophobicContact CE1-CG 4.12Å; F191-R193 PolarHBondContact O-N 3.26Å; F191-R193 VanDerWaalsContact O-N 3.13Å; F191-N194 VanDerWaalsContact O-CB 3.3Å; F191-N194 WeakPolarHBondContact O-CB 3.36Å; F191-N194 PolarHBondContact O-N 3.21Å; F191-D230 HydrophobicContact CB-CB 4.28Å; F191-D230 VanDerWaalsContact CB-CG 3.44Å; F191-D230 VanDerWaalsContact CB-OD1 3.3Å; F191-D230 WeakPolarHBondContact CB-OD1 3.37Å; F191-D230 HydrophobicContact CD1-CB 4.07Å; F191-D230 HydrophobicContact CG-CB 4.1Å
192	E	91.2	Very high	96.3	Very high	158 Å²	158	35.7 Å²	35.7	74%	0.738	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.9	-165.5	65.3	-169.4	173.1	0	0	114	N194 A195	E192-N194 PolarHBondContact O-N 2.84Å; E192-A195 PolarHBondContact O-N 3.12Å
193	R	92.8	Very high	96.4	Very high	21 Å²	21	36.7 Å²	36.7	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-18.2	-178.1	-62.1	-168.7	69.5	-177.8	3.6	113.7	Y150 Y151 S161 F191 A195 E196 F197	Y150-R193 PolarHBondContact O-NH1 3.3Å; Y151-R193 VanDerWaalsContact CA-NH1 3.3Å; Y151-R193 HydrophobicContact CE1-CB 4.47Å; Y151-R193 HydrophobicContact CE2-CB 3.95Å; Y151-R193 PolarHBondContact O-NH1 2.59Å; Y151-R193 VanDerWaalsContact OH-C 3.23Å; Y151-R193 WeakPolarHBondContact OH-CB 3.4Å; Y151-R193 PolarHBondContact OH-O 3.31Å; S161-R193 PolarHBondContact OG-NH2 3.28Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 HydrophobicContact CD1-CB 4.06Å; F191-R193 HydrophobicContact CE1-CB 3.85Å; F191-R193 HydrophobicContact CE1-CG 4.12Å; F191-R193 PolarHBondContact O-N 3.26Å; F191-R193 VanDerWaalsContact O-N 3.13Å; R193-A195 PolarHBondContact O-N 3.49Å; R193-E196 IonicContact NE-OE2 3.86Å; R193-E196 PolarHBondContact O-N 3.03Å; R193-F197 WeakPolarHBondContact O-CB 3.42Å; R193-F197 PolarHBondContact O-N 2.9Å
194	N	96.6	Very high	96.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-26.2	179	-69.8	-10.3	0	0	0	111.9	Y151 Y187 R188 F191 E192 A198 D230	Y151-N194 WeakPolarHBondContact OH-CA 3.5Å; Y151-N194 PolarHBondContact OH-N 3.07Å; Y151-N194 PolarHBondContact OH-OD1 3.36Å; Y187-N194 HydrophobicContact CD2-CB 3.96Å; Y187-N194 HydrophobicContact CG-CB 4.49Å; R188-N194 WeakPolarHBondContact O-CB 3.36Å; R188-N194 PolarHBondContact O-ND2 3.32Å; F191-N194 VanDerWaalsContact O-CB 3.3Å; F191-N194 WeakPolarHBondContact O-CB 3.36Å; F191-N194 PolarHBondContact O-N 3.21Å; E192-N194 PolarHBondContact O-N 2.84Å; N194-A198 WeakPolarHBondContact O-CB 3.35Å; N194-A198 PolarHBondContact O-N 3.03Å; N194-D230 PolarHBondContact ND2-OD1 3.39Å
195	A	95.8	Very high	96.5	Very high	35 Å²	35	37.1 Å²	37.1	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-70.3	-46.5	175.3	0	0	0	0	0	112	Y187 E192 R193 F197 A198 Q199	Y187-A195 HydrophobicContact CD2-CB 4.49Å; Y187-A195 HydrophobicContact CE2-CB 3.76Å; E192-A195 PolarHBondContact O-N 3.12Å; R193-A195 PolarHBondContact O-N 3.49Å; A195-F197 VanDerWaalsContact C-N 3.33Å; A195-A198 PolarHBondContact O-N 2.98Å; A195-Q199 PolarHBondContact O-N 3.13Å
196	E	94.5	Very high	96.5	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-59.9	-45	173	-179.8	-169.5	-171.7	0	0	110.5	L165 R193 A198 Q199 L200	L165-E196 HydrophobicContact CD2-CG 4.49Å; R193-E196 IonicContact NE-OE2 3.86Å; R193-E196 PolarHBondContact O-N 3.03Å; E196-A198 PolarHBondContact O-N 3.49Å; E196-Q199 WeakPolarHBondContact O-CB 3.45Å; E196-Q199 PolarHBondContact O-N 3.01Å; E196-L200 PolarHBondContact O-N 3.36Å
197	F	96.7	Very high	96.4	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-43	178	-177.4	-142.2	0	0	0	112.3	Y151 L165 I168 A169 I172 R193 A195 Q199 L200 V201 L228 F549 I551	Y151-F197 HydrophobicContact CE2-CB 4.46Å; L165-F197 HydrophobicContact CD1-CB 4.18Å; L165-F197 HydrophobicContact CD1-CD2 3.29Å; L165-F197 HydrophobicContact CD1-CE2 3.73Å; L165-F197 HydrophobicContact CD1-CG 3.8Å; L165-F197 HydrophobicContact CD2-CB 4.2Å; L165-F197 HydrophobicContact CD2-CD2 4.36Å; L165-F197 HydrophobicContact CG-CB 4.48Å; L165-F197 HydrophobicContact CG-CD2 3.74Å; L165-F197 HydrophobicContact CG-CE2 4.41Å; L165-F197 HydrophobicContact CG-CG 4.41Å; I168-F197 HydrophobicContact CB-CE2 4.23Å; I168-F197 HydrophobicContact CG2-CE2 3.65Å; I168-F197 HydrophobicContact CG2-CZ 3.47Å; I168-F197 VanDerWaalsContact CG2-CZ 3.47Å; A169-F197 HydrophobicContact CB-CE2 4.34Å; I172-F197 HydrophobicContact CD1-CE1 4.34Å; I172-F197 HydrophobicContact CD1-CE2 4.22Å; I172-F197 HydrophobicContact CD1-CZ 3.51Å; R193-F197 WeakPolarHBondContact O-CB 3.42Å; R193-F197 PolarHBondContact O-N 2.9Å; A195-F197 VanDerWaalsContact C-N 3.33Å; F197-Q199 VanDerWaalsContact C-N 3.28Å; F197-Q199 PolarHBondContact O-N 3.39Å; F197-L200 PolarHBondContact O-N 2.88Å; F197-V201 HydrophobicContact CD2-CG2 4.05Å; F197-V201 HydrophobicContact CE2-CG2 3.74Å; F197-V201 HydrophobicContact CZ-CG2 4.12Å; F197-V201 WeakPolarHBondContact O-CG2 3.22Å; F197-V201 PolarHBondContact O-N 3Å; F197-L228 HydrophobicContact CD1-CD1 4.19Å; F197-L228 HydrophobicContact CE1-CD1 4.38Å; F197-L228 HydrophobicContact CE1-CD2 4.38Å; F197-F549 AromaticContact CE1-CD1 3.84Å; F197-F549 HydrophobicContact CE1-CD1 3.84Å; F197-F549 AromaticContact CE1-CE1 3.71Å; F197-F549 HydrophobicContact CE1-CE1 3.71Å; F197-F549 HydrophobicContact CZ-CD1 4.04Å; F197-F549 AromaticContact CZ-CE1 3.64Å; F197-F549 HydrophobicContact CZ-CE1 3.64Å; F197-I551 HydrophobicContact CD1-CD1 4.29Å; F197-I551 HydrophobicContact CE1-CB 4.19Å; F197-I551 HydrophobicContact CE1-CD1 4.03Å; F197-I551 HydrophobicContact CE1-CG2 4.45Å; F197-I551 HydrophobicContact CZ-CD1 4.19Å
198	A	98.1	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-38.9	174.4	0	0	0	0	0	112.3	I185 Y187 N194 A195 E196 V201 Q202 L228 F508	I185-A198 HydrophobicContact CG2-CB 3.92Å; Y187-A198 HydrophobicContact CD1-CB 3.53Å; Y187-A198 HydrophobicContact CE1-CB 4.14Å; Y187-A198 HydrophobicContact CG-CB 3.96Å; N194-A198 WeakPolarHBondContact O-CB 3.35Å; N194-A198 PolarHBondContact O-N 3.03Å; A195-A198 PolarHBondContact O-N 2.98Å; E196-A198 PolarHBondContact O-N 3.49Å; A198-V201 PolarHBondContact O-N 3.18Å; A198-Q202 WeakPolarHBondContact O-CB 3.35Å; A198-Q202 PolarHBondContact O-N 2.99Å; A198-L228 HydrophobicContact CB-CD1 3.92Å; A198-F508 HydrophobicContact CB-CB 4.46Å; A198-F508 HydrophobicContact CB-CD2 3.91Å; A198-F508 HydrophobicContact CB-CG 4.37Å
199	Q	97.3	Very high	96.3	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-46.1	175.1	179.4	176.7	-21.4	0	0	112.1	A195 E196 F197 V201 Q202 Q203 F508	A195-Q199 PolarHBondContact O-N 3.13Å; E196-Q199 WeakPolarHBondContact O-CB 3.45Å; E196-Q199 PolarHBondContact O-N 3.01Å; F197-Q199 VanDerWaalsContact C-N 3.28Å; F197-Q199 PolarHBondContact O-N 3.39Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; Q199-V201 PolarHBondContact O-N 3.22Å; Q199-Q202 PolarHBondContact O-N 3.04Å; Q199-Q203 WeakPolarHBondContact O-CG 3.06Å; Q199-Q203 PolarHBondContact O-N 3.24Å; Q199-F508 VanDerWaalsContact CA-CZ 3.48Å; Q199-F508 HydrophobicContact CB-CE2 3.58Å; Q199-F508 HydrophobicContact CB-CZ 3.62Å; Q199-F508 HydrophobicContact CG-CE2 4.26Å; Q199-F508 HydrophobicContact CG-CZ 3.83Å
200	L	97.2	Very high	96.4	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-43.7	177.9	-68.6	172.2	0	0	0	111.3	L165 E166 A169 E196 F197 Q202 Q203 K204	L165-L200 HydrophobicContact CB-CD1 4Å; L165-L200 HydrophobicContact CD2-CD1 3.62Å; L165-L200 HydrophobicContact CG-CD1 3.62Å; E166-L200 HydrophobicContact CG-CD1 4.3Å; E166-L200 HydrophobicContact CG-CD2 3.89Å; A169-L200 HydrophobicContact CB-CB 3.91Å; E196-L200 PolarHBondContact O-N 3.36Å; F197-L200 PolarHBondContact O-N 2.88Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 3.5Å; L200-Q203 PolarHBondContact O-N 3.3Å; L200-K204 WeakPolarHBondContact O-CG 3.45Å; L200-K204 PolarHBondContact O-N 3.49Å; L200-K204 VanDerWaalsContact O-N 3.11Å
201	V	98.4	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-43.5	175.3	177.7	0	0	0	0	110.9	A169 I172 I185 F197 A198 Q199 Q203 K204 L205 L226 L228	A169-V201 HydrophobicContact CB-CB 4.49Å; A169-V201 HydrophobicContact CB-CG2 3.82Å; I172-V201 HydrophobicContact CD1-CG2 4.17Å; I172-V201 HydrophobicContact CG2-CG1 3.97Å; I185-V201 HydrophobicContact CD1-CB 3.98Å; I185-V201 HydrophobicContact CD1-CG1 3.69Å; F197-V201 HydrophobicContact CD2-CG2 4.05Å; F197-V201 HydrophobicContact CE2-CG2 3.74Å; F197-V201 HydrophobicContact CZ-CG2 4.12Å; F197-V201 WeakPolarHBondContact O-CG2 3.22Å; F197-V201 PolarHBondContact O-N 3Å; A198-V201 PolarHBondContact O-N 3.18Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; Q199-V201 PolarHBondContact O-N 3.22Å; V201-Q203 PolarHBondContact O-N 3.34Å; V201-K204 PolarHBondContact O-N 3.24Å; V201-L205 HydrophobicContact CG1-CD1 4.16Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CG 3.46Å; V201-L205 PolarHBondContact O-N 2.75Å; V201-L226 HydrophobicContact CG1-CD2 3.71Å; V201-L228 HydrophobicContact CG2-CD1 4.19Å
202	Q	98.1	Very high	96.4	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-46.7	176.7	-172.9	67.2	61.2	0	0	111.6	Y182 I185 A198 Q199 L200 K204 L205 D206 F508	Y182-Q202 PolarHBondContact OH-NE2 3.02Å; Y182-Q202 VanDerWaalsContact OH-NE2 3.08Å; I185-Q202 HydrophobicContact CD1-CB 3.92Å; A198-Q202 WeakPolarHBondContact O-CB 3.35Å; A198-Q202 PolarHBondContact O-N 2.99Å; Q199-Q202 PolarHBondContact O-N 3.04Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 3.5Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; Q202-K204 PolarHBondContact O-N 3.38Å; Q202-L205 PolarHBondContact O-N 3.4Å; Q202-D206 PolarHBondContact NE2-OD1 2.84Å; Q202-D206 WeakPolarHBondContact O-CB 3.32Å; Q202-D206 PolarHBondContact O-N 2.94Å; Q202-F508 HydrophobicContact CB-CD1 3.68Å; Q202-F508 HydrophobicContact CB-CE1 3.58Å; Q202-F508 HydrophobicContact CB-CZ 4.44Å; Q202-F508 HydrophobicContact CG-CD1 3.7Å; Q202-F508 HydrophobicContact CG-CE1 3.61Å
203	Q	97.6	Very high	96.7	Very high	100 Å²	100	47 Å²	47	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-58.7	-41.2	179.3	-72.2	172.7	-0.4	0	0	112.1	Q199 L200 V201 D206 A207	Q199-Q203 WeakPolarHBondContact O-CG 3.06Å; Q199-Q203 PolarHBondContact O-N 3.24Å; L200-Q203 PolarHBondContact O-N 3.3Å; V201-Q203 PolarHBondContact O-N 3.34Å; Q203-D206 PolarHBondContact O-N 3.37Å; Q203-A207 PolarHBondContact O-N 3.47Å; Q203-A207 VanDerWaalsContact O-N 3.13Å
204	K	97.8	Very high	96.8	Very high	56 Å²	56	53 Å²	53	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-44.2	176.1	-62.3	-56.8	-171.6	163.8	0	111.9	A169 E170 A173 L200 V201 Q202 D206 A207 Y208	A169-K204 HydrophobicContact CB-CG 4.1Å; E170-K204 VanDerWaalsContact OE2-CD 3.26Å; E170-K204 WeakPolarHBondContact OE2-CD 3.49Å; E170-K204 WeakPolarHBondContact OE2-CE 3.34Å; E170-K204 IonicContact OE2-NZ 3.72Å; E170-K204 PolarHBondContact OE2-NZ 3Å; A173-K204 HydrophobicContact CB-CB 3.6Å; L200-K204 WeakPolarHBondContact O-CG 3.45Å; L200-K204 PolarHBondContact O-N 3.49Å; L200-K204 VanDerWaalsContact O-N 3.11Å; V201-K204 PolarHBondContact O-N 3.24Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; Q202-K204 PolarHBondContact O-N 3.38Å; K204-D206 VanDerWaalsContact C-N 3.29Å; K204-D206 PolarHBondContact O-N 3.19Å; K204-A207 PolarHBondContact O-N 3.48Å; K204-Y208 VanDerWaalsContact O-CD2 3.26Å; K204-Y208 WeakPolarHBondContact O-CD2 3.4Å; K204-Y208 PolarHBondContact O-N 2.9Å
205	L	98.1	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-38.4	175.3	-69.8	178.3	0	0	0	112.4	A173 C176 Y182 P183 I185 V201 Q202 Y208 K209 M215	A173-L205 HydrophobicContact CB-CD2 4Å; A173-L205 HydrophobicContact CB-CG 4.47Å; C176-L205 HydrophobicContact CB-CD2 3.49Å; C176-L205 VanDerWaalsContact CB-CD2 3.49Å; Y182-L205 HydrophobicContact CD2-CB 4.09Å; Y182-L205 HydrophobicContact CE2-CB 3.9Å; P183-L205 HydrophobicContact CG-CD1 4.35Å; I185-L205 HydrophobicContact CD1-CD1 3.99Å; I185-L205 HydrophobicContact CG1-CD1 4.26Å; V201-L205 HydrophobicContact CG1-CD1 4.16Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CG 3.46Å; V201-L205 PolarHBondContact O-N 2.75Å; Q202-L205 PolarHBondContact O-N 3.4Å; L205-Y208 PolarHBondContact O-N 2.92Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 PolarHBondContact O-N 3.04Å; L205-M215 HydrophobicContact CD2-CE 3.68Å
206	D	97.8	Very high	96.6	Very high	69 Å²	69	52.1 Å²	52.1	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-41	177.8	-67.6	-15	0	0	0	111.5	Y182 Q202 Q203 K204 K209 A210	Y182-D206 PolarHBondContact OH-OD1 2.65Å; Q202-D206 PolarHBondContact NE2-OD1 2.84Å; Q202-D206 WeakPolarHBondContact O-CB 3.32Å; Q202-D206 PolarHBondContact O-N 2.94Å; Q203-D206 PolarHBondContact O-N 3.37Å; K204-D206 VanDerWaalsContact C-N 3.29Å; K204-D206 PolarHBondContact O-N 3.19Å; D206-K209 PolarHBondContact O-N 3.36Å; D206-A210 WeakPolarHBondContact O-CB 3.34Å; D206-A210 PolarHBondContact O-N 3.39Å
207	A	97.3	Very high	96.6	Very high	51 Å²	51	53.3 Å²	53.3	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-49.2	173.5	0	0	0	0	0	111.3	Q203 K204 K209 A210 D211	Q203-A207 PolarHBondContact O-N 3.47Å; Q203-A207 VanDerWaalsContact O-N 3.13Å; K204-A207 PolarHBondContact O-N 3.48Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.02Å; A207-A210 WeakPolarHBondContact O-CB 3.3Å; A207-A210 PolarHBondContact O-N 3.27Å; A207-A210 VanDerWaalsContact O-N 3.09Å; A207-D211 PolarHBondContact O-N 2.8Å; A207-D211 VanDerWaalsContact O-N 3.07Å
208	Y	97.1	Very high	96.2	Very high	12 Å²	12	55 Å²	55	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-36.3	176.9	-83.5	-67	0	0	0	113.8	A104 N129 E170 A173 T174 A177 K204 L205 A210 D211 D212	A104-Y208 PolarHBondContact N-OH 2.89Å; N129-Y208 HydrophobicContact CB-CE1 4.12Å; N129-Y208 VanDerWaalsContact ND2-CE1 3.31Å; N129-Y208 WeakPolarHBondContact ND2-CE1 3.36Å; N129-Y208 VanDerWaalsContact OD1-CE1 3.23Å; N129-Y208 WeakPolarHBondContact OD1-CE1 3.34Å; N129-Y208 PolarHBondContact OD1-OH 3.11Å; E170-Y208 WeakPolarHBondContact OE1-CE2 3.46Å; E170-Y208 PolarHBondContact OE1-OH 3.46Å; E170-Y208 VanDerWaalsContact OE1-OH 3.05Å; A173-Y208 HydrophobicContact CB-CD2 3.55Å; A173-Y208 HydrophobicContact CB-CE2 3.65Å; T174-Y208 HydrophobicContact CG2-CE2 4.47Å; T174-Y208 WeakPolarHBondContact CG2-OH 3.46Å; A177-Y208 HydrophobicContact CB-CD1 4.16Å; A177-Y208 HydrophobicContact CB-CG 4.38Å; K204-Y208 VanDerWaalsContact O-CD2 3.26Å; K204-Y208 WeakPolarHBondContact O-CD2 3.4Å; K204-Y208 PolarHBondContact O-N 2.9Å; L205-Y208 PolarHBondContact O-N 2.92Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-D211 PolarHBondContact O-N 3.25Å; Y208-D212 PolarHBondContact O-N 3.18Å
209	K	96.9	Very high	95.7	Very high	46 Å²	46	60 Å²	60	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-30.3	174.7	177.3	61.7	174.3	-176.9	0	112.2	Y182 L205 D206 A207 D212 P213 M215 E217	Y182-K209 HydrophobicContact CD2-CB 3.94Å; Y182-K209 HydrophobicContact CD2-CG 4.29Å; Y182-K209 HydrophobicContact CE2-CB 3.98Å; Y182-K209 HydrophobicContact CE2-CG 4.34Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 PolarHBondContact O-N 3.04Å; D206-K209 PolarHBondContact O-N 3.36Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.02Å; K209-D212 CarbonylContact O-C 3.18Å; K209-P213 PolarHBondContact NZ-O 2.9Å; K209-P213 WeakPolarHBondContact O-CA 3.15Å; K209-M215 HydrophobicContact CD-CB 4.01Å; K209-M215 VanDerWaalsContact CD-O 3.23Å; K209-M215 WeakPolarHBondContact CD-O 3.41Å; K209-M215 WeakPolarHBondContact CE-O 3.36Å; K209-M215 PolarHBondContact NZ-O 3.1Å; K209-E217 IonicContact NZ-OE1 2.87Å; K209-E217 PolarHBondContact NZ-OE1 2.97Å; K209-E217 VanDerWaalsContact NZ-OE1 3.14Å
210	A	96.9	Very high	95.3	Very high	74 Å²	74	58.6 Å²	58.6	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-68.2	-39.5	173.6	0	0	0	0	0	111.4	D206 A207 Y208	D206-A210 WeakPolarHBondContact O-CB 3.34Å; D206-A210 PolarHBondContact O-N 3.39Å; A207-A210 WeakPolarHBondContact O-CB 3.3Å; A207-A210 PolarHBondContact O-N 3.27Å; A207-A210 VanDerWaalsContact O-N 3.09Å; Y208-A210 VanDerWaalsContact C-N 3.33Å
211	D	93.9	Very high	95.1	Very high	131 Å²	131	59.7 Å²	59.7	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-75	-37.9	177.4	-67.6	-22.6	0	0	0	112.9	A207 Y208	A207-D211 PolarHBondContact O-N 2.8Å; A207-D211 VanDerWaalsContact O-N 3.07Å; Y208-D211 PolarHBondContact O-N 3.25Å
212	D	94.9	Very high	94.7	Very high	72 Å²	72	66 Å²	66	39%	0.385	37%	0.366	S	S	.	.			trans	-121.5	91.4	172	-179.4	13.1	0	0	0	111.7	Y208 K209 Q214 M215	Y208-D212 PolarHBondContact O-N 3.18Å; K209-D212 CarbonylContact O-C 3.18Å; D212-Q214 PolarHBondContact O-N 3.06Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.27Å; D212-Q214 VanDerWaalsContact OD1-CB 3.31Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.21Å; D212-Q214 PolarHBondContact OD1-N 2.81Å; D212-M215 VanDerWaalsContact O-CB 3.24Å; D212-M215 WeakPolarHBondContact O-CB 3.13Å; D212-M215 PolarHBondContact O-N 2.82Å
213	P	96.3	Very high	94.5	Very high	86 Å²	86	70.1 Å²	70.1	56%	0.558	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.7	175.7	-26.4	35.7	0	0	0	114.7	K209	K209-P213 PolarHBondContact NZ-O 2.9Å; K209-P213 WeakPolarHBondContact O-CA 3.15Å
214	Q	94.6	Very high	94.4	Very high	148 Å²	148	65.4 Å²	65.4	69%	0.692	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.9	174.5	-55.3	-174	6.6	0	0	113.1	D212 G216 E217	D212-Q214 PolarHBondContact O-N 3.06Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.27Å; D212-Q214 VanDerWaalsContact OD1-CB 3.31Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.21Å; D212-Q214 PolarHBondContact OD1-N 2.81Å; Q214-G216 PolarHBondContact O-N 3.06Å; Q214-E217 WeakPolarHBondContact O-CA 3.43Å; Q214-E217 VanDerWaalsContact O-CB 3.22Å; Q214-E217 WeakPolarHBondContact O-CB 3.3Å; Q214-E217 WeakPolarHBondContact O-CG 3.49Å; Q214-E217 PolarHBondContact O-N 3.36Å
215	M	94.8	Very high	94.3	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	125.8	177.6	-172.9	178.5	176.8	0	0	110.7	C176 A177 E181 L205 K209 D212 E217	C176-M215 HydrophobicContact CB-CE 3.79Å; A177-M215 HydrophobicContact CB-CE 4.24Å; E181-M215 WeakPolarHBondContact O-CE 3.4Å; E181-M215 WeakPolarHBondContact O-CG 3.27Å; L205-M215 HydrophobicContact CD2-CE 3.68Å; K209-M215 HydrophobicContact CD-CB 4.01Å; K209-M215 VanDerWaalsContact CD-O 3.23Å; K209-M215 WeakPolarHBondContact CD-O 3.41Å; K209-M215 WeakPolarHBondContact CE-O 3.36Å; K209-M215 PolarHBondContact NZ-O 3.1Å; D212-M215 VanDerWaalsContact O-CB 3.24Å; D212-M215 WeakPolarHBondContact O-CB 3.13Å; D212-M215 PolarHBondContact O-N 2.82Å; M215-E217 VanDerWaalsContact C-N 3.26Å; M215-E217 PolarHBondContact O-N 3.04Å
216	G	94.8	Very high	94.3	Very high	14 Å²	14	63.5 Å²	63.5	14%	0.144	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-3.3	-171.7	0	0	0	0	0	115.3	G180 Q214 K221	G180-G216 PolarHBondContact O-N 3.39Å; Q214-G216 PolarHBondContact O-N 3.06Å; G216-K221 VanDerWaalsContact O-CB 3.23Å; G216-K221 WeakPolarHBondContact O-CB 3.43Å
217	E	93.4	Very high	94.4	Very high	117 Å²	117	60.2 Å²	60.2	55%	0.547	33%	0.333	S	S	.	.			trans	-86.3	138.9	171.8	-55.3	-58.6	145.7	0	0	110.9	K209 Q214 M215 K221	K209-E217 IonicContact NZ-OE1 2.87Å; K209-E217 PolarHBondContact NZ-OE1 2.97Å; K209-E217 VanDerWaalsContact NZ-OE1 3.14Å; Q214-E217 WeakPolarHBondContact O-CA 3.43Å; Q214-E217 VanDerWaalsContact O-CB 3.22Å; Q214-E217 WeakPolarHBondContact O-CB 3.3Å; Q214-E217 WeakPolarHBondContact O-CG 3.49Å; Q214-E217 PolarHBondContact O-N 3.36Å; M215-E217 VanDerWaalsContact C-N 3.26Å; M215-E217 PolarHBondContact O-N 3.04Å; E217-K221 WeakPolarHBondContact O-CD 3.4Å; E217-K221 WeakPolarHBondContact O-CE 3.17Å; E217-K221 PolarHBondContact O-NZ 2.75Å
218	G	89	Confident	94.5	Very high	36 Å²	36	57.8 Å²	57.8	37%	0.371	31%	0.313	S	S	.	.	S	Bend	trans	128	173.9	177.5	0	0	0	0	0	112.8	Q220 K221	G218-Q220 PolarHBondContact O-N 3.23Å; G218-K221 PolarHBondContact O-N 3.35Å
219	P	88.1	Confident	94.5	Very high	106 Å²	106	57.2 Å²	57.2	69%	0.688	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	124.5	-174.5	-23.6	33.2	0	0	0	112	K221	P219-K221 PolarHBondContact O-N 3.41Å; P219-K221 VanDerWaalsContact O-N 3.12Å
220	Q	89.1	Confident	94.6	Very high	63 Å²	63	55 Å²	55	29%	0.294	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	-2.2	171.7	-52.7	171.8	-15.9	0	0	116.4	G218 E222 R223 S542 P544	G218-Q220 PolarHBondContact O-N 3.23Å; Q220-E222 WeakPolarHBondContact CA-OE2 3.36Å; Q220-E222 PolarHBondContact N-OE2 2.59Å; Q220-E222 VanDerWaalsContact N-OE2 3.08Å; Q220-E222 PolarHBondContact O-N 3.01Å; Q220-R223 PolarHBondContact O-N 2.92Å; Q220-R223 VanDerWaalsContact O-N 3.12Å; Q220-S542 VanDerWaalsContact CD-O 3.3Å; Q220-S542 PolarHBondContact NE2-O 2.67Å; Q220-S542 PolarHBondContact OE1-O 2.94Å; Q220-P544 HydrophobicContact CB-CB 4.15Å; Q220-P544 WeakPolarHBondContact O-CB 3.32Å; Q220-P544 VanDerWaalsContact OE1-N 3.08Å
221	K	92.6	Very high	94.6	Very high	45 Å²	45	51.5 Å²	51.5	20%	0.196	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.6	-24.4	178.3	-67.7	-162.6	-171.7	163.7	0	112.7	G180 G216 E217 G218 P219 R223 S224	G180-K221 WeakPolarHBondContact O-CD 3.31Å; G180-K221 VanDerWaalsContact O-CE 3.27Å; G180-K221 WeakPolarHBondContact O-CE 3.47Å; G180-K221 PolarHBondContact O-NZ 3.38Å; G216-K221 VanDerWaalsContact O-CB 3.23Å; G216-K221 WeakPolarHBondContact O-CB 3.43Å; E217-K221 WeakPolarHBondContact O-CD 3.4Å; E217-K221 WeakPolarHBondContact O-CE 3.17Å; E217-K221 PolarHBondContact O-NZ 2.75Å; G218-K221 PolarHBondContact O-N 3.35Å; P219-K221 PolarHBondContact O-N 3.41Å; P219-K221 VanDerWaalsContact O-N 3.12Å; K221-R223 PolarHBondContact O-N 3.13Å; K221-R223 VanDerWaalsContact O-N 3.08Å; K221-S224 WeakPolarHBondContact O-CB 3.23Å; K221-S224 PolarHBondContact O-N 2.75Å; K221-S224 VanDerWaalsContact O-N 3.07Å; K221-S224 PolarHBondContact O-OG 3.2Å
222	E	90	Very high	94.8	Very high	133 Å²	133	45.3 Å²	45.3	62%	0.621	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-63.1	-14.3	174.4	73.6	-74.1	174.4	0	0	113.7	Q220	Q220-E222 WeakPolarHBondContact CA-OE2 3.36Å; Q220-E222 PolarHBondContact N-OE2 2.59Å; Q220-E222 VanDerWaalsContact N-OE2 3.08Å; Q220-E222 PolarHBondContact O-N 3.01Å
223	R	92.8	Very high	94.9	Very high	112 Å²	112	41.9 Å²	41.9	42%	0.423	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-103.1	-2.4	178.4	-63.2	174.6	59.2	-156.3	-6.1	113.2	Q220 K221 P544 W574	Q220-R223 PolarHBondContact O-N 2.92Å; Q220-R223 VanDerWaalsContact O-N 3.12Å; K221-R223 PolarHBondContact O-N 3.13Å; K221-R223 VanDerWaalsContact O-N 3.08Å; R223-P544 HydrophobicContact CB-CB 3.7Å; R223-P544 HydrophobicContact CB-CG 4.29Å; R223-W574 VanDerWaalsContact NH2-CZ2 3.31Å
224	S	95.1	Very high	95	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.			trans	-66.1	139.4	-176.7	-65.9	0	0	0	0	111.3	E181 P183 V184 K221 R545	E181-S224 PolarHBondContact OE1-OG 2.78Å; E181-S224 WeakPolarHBondContact OE2-CB 3.01Å; E181-S224 PolarHBondContact OE2-OG 3.32Å; P183-S224 WeakPolarHBondContact CA-O 3.17Å; V184-S224 PolarHBondContact N-O 3.34Å; K221-S224 WeakPolarHBondContact O-CB 3.23Å; K221-S224 PolarHBondContact O-N 2.75Å; K221-S224 VanDerWaalsContact O-N 3.07Å; K221-S224 PolarHBondContact O-OG 3.2Å; S224-R545 CarbonylContact C-O 3.54Å; S224-R545 VanDerWaalsContact CA-O 3.24Å; S224-R545 WeakPolarHBondContact CA-O 3.12Å; S224-R545 PolarHBondContact OG-N 2.96Å
225	Q	97.2	Very high	95.2	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.6	-179.5	-67.2	175.9	68.9	0	0	110.7	V184 R545 L546 I547	V184-Q225 WeakPolarHBondContact O-CA 3.48Å; Q225-R545 PolarHBondContact N-O 2.84Å; Q225-L546 HydrophobicContact CB-CD2 3.94Å; Q225-L546 HydrophobicContact CG-CD2 4.42Å; Q225-I547 PolarHBondContact O-N 3.01Å
226	L	98.6	Very high	95.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	169.3	172.5	59.5	0	0	0	108.2	I172 P183 V184 I185 R186 V201 L228 I547 F549	I172-L226 HydrophobicContact CG2-CD1 4.49Å; I172-L226 HydrophobicContact CG2-CD2 3.7Å; P183-L226 HydrophobicContact CB-CB 3.95Å; P183-L226 HydrophobicContact CG-CB 3.67Å; P183-L226 HydrophobicContact CG-CD2 4.49Å; V184-L226 PolarHBondContact O-N 2.87Å; I185-L226 CarbonylContact C-O 3.53Å; I185-L226 WeakPolarHBondContact CA-O 3.2Å; I185-L226 HydrophobicContact CG1-CB 4.48Å; I185-L226 HydrophobicContact CG1-CD2 4.3Å; R186-L226 PolarHBondContact N-O 2.89Å; V201-L226 HydrophobicContact CG1-CD2 3.71Å; L226-L228 HydrophobicContact CD1-CD2 3.91Å; L226-L228 HydrophobicContact CD2-CD2 4.06Å; L226-L228 HydrophobicContact CG-CD2 3.8Å; L226-L228 HydrophobicContact CG-CG 4.38Å; L226-I547 CarbonylContact C-O 3.5Å; L226-I547 WeakPolarHBondContact CA-O 3.48Å; L226-I547 HydrophobicContact CD1-CB 3.96Å; L226-I547 HydrophobicContact CD1-CG2 3.67Å; L226-F549 HydrophobicContact CD1-CB 4.34Å
227	I	98.7	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110.7	-176.8	-60.2	163.1	0	0	0	108.5	R186 L229 A495 L500 F505 I547 F548 F549	R186-I227 HydrophobicContact CB-CG1 4.31Å; R186-I227 CarbonylContact O-C 3.58Å; R186-I227 WeakPolarHBondContact O-CA 3.44Å; I227-L229 HydrophobicContact CG2-CD2 4.11Å; I227-L229 HydrophobicContact CG2-CG 4.38Å; I227-A495 HydrophobicContact CD1-CB 3.69Å; I227-L500 HydrophobicContact CD1-CD2 3.97Å; I227-L500 HydrophobicContact CG1-CD2 4.46Å; I227-F505 HydrophobicContact CG2-CD1 4.44Å; I227-I547 PolarHBondContact N-O 3.14Å; I227-F548 HydrophobicContact CB-CD1 3.92Å; I227-F548 HydrophobicContact CB-CE1 3.96Å; I227-F548 HydrophobicContact CB-CG 4.45Å; I227-F548 HydrophobicContact CB-CZ 4.5Å; I227-F548 HydrophobicContact CD1-CD1 4.3Å; I227-F548 HydrophobicContact CD1-CE1 3.59Å; I227-F548 HydrophobicContact CD1-CE2 3.87Å; I227-F548 HydrophobicContact CD1-CZ 3.33Å; I227-F548 HydrophobicContact CG1-CE1 4.38Å; I227-F548 HydrophobicContact CG1-CZ 4.48Å; I227-F548 HydrophobicContact CG2-CD1 3.98Å; I227-F548 HydrophobicContact CG2-CE1 3.85Å; I227-F549 PolarHBondContact O-N 2.99Å
228	L	98.8	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.1	-179.3	-54.8	-178.8	0	0	0	110.7	I185 R186 Y187 R188 F197 A198 V201 L226 F549	I185-L228 HydrophobicContact CG2-CD1 3.84Å; I185-L228 HydrophobicContact CG2-CG 4.18Å; R186-L228 PolarHBondContact O-N 3.33Å; Y187-L228 WeakPolarHBondContact CA-O 3.16Å; R188-L228 PolarHBondContact N-O 3.09Å; F197-L228 HydrophobicContact CD1-CD1 4.19Å; F197-L228 HydrophobicContact CE1-CD1 4.38Å; F197-L228 HydrophobicContact CE1-CD2 4.38Å; A198-L228 HydrophobicContact CB-CD1 3.92Å; V201-L228 HydrophobicContact CG2-CD1 4.19Å; L226-L228 HydrophobicContact CD1-CD2 3.91Å; L226-L228 HydrophobicContact CD2-CD2 4.06Å; L226-L228 HydrophobicContact CG-CD2 3.8Å; L226-L228 HydrophobicContact CG-CG 4.38Å; L228-F549 HydrophobicContact CD2-CB 3.96Å; L228-F549 HydrophobicContact CD2-CD1 4.17Å; L228-F549 HydrophobicContact CD2-CG 4.47Å
229	L	98.8	Very high	96.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.8	-179.7	-56.4	176.6	0	0	0	109.5	R188 I227 F233 I488 L491 F505 F548 F549 V550 I551	R188-L229 HydrophobicContact CB-CD2 4.26Å; I227-L229 HydrophobicContact CG2-CD2 4.11Å; I227-L229 HydrophobicContact CG2-CG 4.38Å; L229-F233 HydrophobicContact CB-CD1 4.14Å; L229-F233 HydrophobicContact CB-CE1 4.44Å; L229-F233 HydrophobicContact CB-CG 4.32Å; L229-F233 HydrophobicContact CD1-CD1 4.45Å; L229-F233 HydrophobicContact CD1-CD2 4.08Å; L229-F233 HydrophobicContact CD1-CE1 4.23Å; L229-F233 HydrophobicContact CD1-CE2 3.86Å; L229-F233 HydrophobicContact CD1-CG 4.36Å; L229-F233 HydrophobicContact CD1-CZ 3.93Å; L229-I488 HydrophobicContact CD1-CD1 4.1Å; L229-I488 HydrophobicContact CD1-CG1 4.1Å; L229-L491 HydrophobicContact CD1-CD1 4.05Å; L229-L491 HydrophobicContact CD2-CD1 4Å; L229-F505 HydrophobicContact CD2-CD1 4.31Å; L229-F505 HydrophobicContact CD2-CE1 3.56Å; L229-F505 HydrophobicContact CD2-CZ 4.49Å; L229-F548 HydrophobicContact CD1-CD1 4.1Å; L229-F549 PolarHBondContact N-O 3.14Å; L229-V550 HydrophobicContact CB-CG2 4.31Å; L229-V550 HydrophobicContact CD1-CG2 4.25Å; L229-V550 CarbonylContact O-C 3.54Å; L229-V550 WeakPolarHBondContact O-CA 3.49Å; L229-I551 WeakPolarHBondContact O-CG2 3.27Å; L229-I551 PolarHBondContact O-N 3.41Å
230	D	98.1	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.7	163.1	63.2	-71.9	0	0	0	110.1	Y151 F152 R188 F191 N194 G232 F233 I551	Y151-D230 HydrophobicContact CE1-CB 4.15Å; F152-D230 HydrophobicContact CE1-CB 4.19Å; F152-D230 HydrophobicContact CZ-CB 4.11Å; R188-D230 IonicContact CZ-OD1 2.89Å; R188-D230 IonicContact NH1-OD1 3.53Å; R188-D230 PolarHBondContact NH1-OD1 2.77Å; R188-D230 IonicContact NH1-OD2 3.7Å; R188-D230 PolarHBondContact NH1-OD2 3.16Å; F191-D230 HydrophobicContact CB-CB 4.28Å; F191-D230 VanDerWaalsContact CB-CG 3.44Å; F191-D230 VanDerWaalsContact CB-OD1 3.3Å; F191-D230 WeakPolarHBondContact CB-OD1 3.37Å; F191-D230 HydrophobicContact CD1-CB 4.07Å; F191-D230 HydrophobicContact CG-CB 4.1Å; N194-D230 PolarHBondContact ND2-OD1 3.39Å; D230-G232 PolarHBondContact O-N 3.25Å; D230-G232 PolarHBondContact OD2-N 2.89Å; D230-F233 WeakPolarHBondContact O-CB 3.5Å; D230-F233 WeakPolarHBondContact O-CD1 3.43Å; D230-F233 PolarHBondContact O-N 2.9Å; D230-I551 HydrophobicContact CB-CG2 4.04Å
231	R	97.7	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-48.2	-28.9	-178.7	-174.8	62.8	-85.6	165.5	-10.3	115	F148 F152 F233 D234 P238 L443 I551 G553 E558 F589	F148-R231 HydrophobicContact CE2-CG 4.18Å; F152-R231 HydrophobicContact CE2-CB 4.14Å; F152-R231 HydrophobicContact CZ-CB 3.92Å; R231-F233 PolarHBondContact O-N 3.43Å; R231-D234 PolarHBondContact NH2-O 2.77Å; R231-D234 PolarHBondContact O-N 3.04Å; R231-P238 VanDerWaalsContact NH2-CG 3.34Å; R231-L443 HydrophobicContact CB-CD2 4.25Å; R231-L443 HydrophobicContact CG-CD2 3.99Å; R231-I551 PolarHBondContact N-O 2.84Å; R231-G553 WeakPolarHBondContact CD-O 3.34Å; R231-G553 PolarHBondContact NH1-O 2.8Å; R231-E558 IonicContact CZ-OE1 3.03Å; R231-E558 IonicContact CZ-OE2 3.38Å; R231-E558 IonicContact NH1-OE1 3.33Å; R231-E558 PolarHBondContact NH1-OE1 3Å; R231-E558 IonicContact NH1-OE2 2.89Å; R231-E558 PolarHBondContact NH1-OE2 3.41Å; R231-E558 IonicContact NH2-OE1 3.58Å; R231-E558 PolarHBondContact NH2-OE1 3.45Å; R231-E558 IonicContact NH2-OE2 2.77Å; R231-E558 PolarHBondContact NH2-OE2 3.26Å; R231-F589 HydrophobicContact CG-CD2 4.29Å; R231-F589 HydrophobicContact CG-CE2 3.55Å; R231-F589 HydrophobicContact CG-CZ 4.23Å
232	G	97.5	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-66.2	-10.6	176.6	0	0	0	0	0	115.3	D230 D234 L443	D230-G232 PolarHBondContact O-N 3.25Å; D230-G232 PolarHBondContact OD2-N 2.89Å; G232-D234 VanDerWaalsContact C-N 3.26Å; G232-D234 PolarHBondContact O-N 2.89Å; G232-L443 WeakPolarHBondContact CA-O 3.28Å
233	F	98	Very high	97.7	Very high	1 Å²	1	9 Å²	9	0%	0.004	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-62.3	-33.3	174.6	90	-74.1	0	0	0	112.7	L229 D230 R231 Y465 Y487 I488 L491 V550 E558	L229-F233 HydrophobicContact CB-CD1 4.14Å; L229-F233 HydrophobicContact CB-CE1 4.44Å; L229-F233 HydrophobicContact CB-CG 4.32Å; L229-F233 HydrophobicContact CD1-CD1 4.45Å; L229-F233 HydrophobicContact CD1-CD2 4.08Å; L229-F233 HydrophobicContact CD1-CE1 4.23Å; L229-F233 HydrophobicContact CD1-CE2 3.86Å; L229-F233 HydrophobicContact CD1-CG 4.36Å; L229-F233 HydrophobicContact CD1-CZ 3.93Å; D230-F233 WeakPolarHBondContact O-CB 3.5Å; D230-F233 WeakPolarHBondContact O-CD1 3.43Å; D230-F233 PolarHBondContact O-N 2.9Å; R231-F233 PolarHBondContact O-N 3.43Å; F233-Y465 WeakPolarHBondContact O-CB 3.43Å; F233-Y465 WeakPolarHBondContact O-CD1 3.02Å; F233-Y487 AromaticContact CD2-CD1 3.84Å; F233-Y487 HydrophobicContact CD2-CD1 3.84Å; F233-Y487 HydrophobicContact CD2-CE1 4.43Å; F233-Y487 HydrophobicContact CE2-CD1 4.37Å; F233-Y487 WeakPolarHBondContact O-CD1 3.32Å; F233-I488 HydrophobicContact CE2-CB 3.87Å; F233-I488 HydrophobicContact CE2-CG1 4.23Å; F233-I488 HydrophobicContact CZ-CB 3.92Å; F233-I488 HydrophobicContact CZ-CD1 4.25Å; F233-I488 HydrophobicContact CZ-CG1 4.21Å; F233-L491 HydrophobicContact CD2-CD1 3.82Å; F233-L491 HydrophobicContact CE2-CD1 3.98Å; F233-V550 HydrophobicContact CD1-CG1 4.35Å; F233-V550 HydrophobicContact CE1-CG1 3.86Å; F233-V550 HydrophobicContact CE1-CG2 4.13Å; F233-V550 HydrophobicContact CZ-CG2 4.49Å; F233-E558 VanDerWaalsContact CZ-OE1 3.27Å; F233-E558 WeakPolarHBondContact CZ-OE1 3.41Å
234	D	98.3	Very high	97.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.			trans	-141	90.7	177.9	-174.1	-13.2	0	0	0	109.4	R231 G232 I236 S237 P238 Y487	R231-D234 PolarHBondContact NH2-O 2.77Å; R231-D234 PolarHBondContact O-N 3.04Å; G232-D234 VanDerWaalsContact C-N 3.26Å; G232-D234 PolarHBondContact O-N 2.89Å; D234-I236 VanDerWaalsContact C-N 3.26Å; D234-I236 PolarHBondContact O-N 3.19Å; D234-I236 PolarHBondContact OD1-N 3.27Å; D234-S237 VanDerWaalsContact CG-OG 3.24Å; D234-S237 PolarHBondContact OD1-N 2.94Å; D234-S237 PolarHBondContact OD1-OG 3.32Å; D234-S237 WeakPolarHBondContact OD2-CB 3.31Å; D234-S237 PolarHBondContact OD2-OG 2.69Å; D234-P238 WeakPolarHBondContact O-CD 3.36Å; D234-Y487 WeakPolarHBondContact OD2-CB 3.37Å; D234-Y487 PolarHBondContact OD2-N 3.34Å
235	P	97.9	Very high	98.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	-82.6	-0.7	178.1	33.2	-34.7	0	0	0	113.6	I410 L440 V445 Y465	P235-I410 HydrophobicContact CB-CD1 3.82Å; P235-I410 HydrophobicContact CB-CG1 4.47Å; P235-I410 HydrophobicContact CG-CD1 4.03Å; P235-I410 HydrophobicContact CG-CG1 4.34Å; P235-I410 HydrophobicContact CG-CG2 4.1Å; P235-L440 HydrophobicContact CB-CD2 4.37Å; P235-V445 HydrophobicContact CB-CG1 4.18Å; P235-V445 HydrophobicContact CB-CG2 3.86Å; P235-V445 HydrophobicContact CG-CG1 3.93Å; P235-V445 HydrophobicContact CG-CG2 3.81Å; P235-Y465 HydrophobicContact CG-CD1 4.39Å; P235-Y465 HydrophobicContact CG-CD2 4.13Å; P235-Y465 HydrophobicContact CG-CE1 4.18Å; P235-Y465 HydrophobicContact CG-CE2 3.92Å; P235-Y465 HydrophobicContact CG-CG 4.38Å
236	I	98.5	Very high	98.1	Very high	2 Å²	2	3.6 Å²	3.6	1%	0.01	2%	0.019	C	C	.	.	S	Bend	trans	-96.6	-49.6	-172.6	-65.9	170.2	0	0	0	110.3	D234 P238 I239 L240 A370 L407 I410 Y465 L466 W484	D234-I236 VanDerWaalsContact C-N 3.26Å; D234-I236 PolarHBondContact O-N 3.19Å; D234-I236 PolarHBondContact OD1-N 3.27Å; I236-P238 VanDerWaalsContact C-CD 3.43Å; I236-P238 VanDerWaalsContact C-N 3.33Å; I236-I239 WeakPolarHBondContact O-CG1 3.43Å; I236-I239 PolarHBondContact O-N 3.12Å; I236-I239 VanDerWaalsContact O-N 3.1Å; I236-L240 HydrophobicContact CG2-CD1 3.6Å; I236-L240 HydrophobicContact CG2-CG 4.06Å; I236-L240 PolarHBondContact O-N 3.39Å; I236-A370 HydrophobicContact CG2-CB 3.82Å; I236-L407 HydrophobicContact CG2-CD2 3.86Å; I236-I410 HydrophobicContact CD1-CG2 3.94Å; I236-I410 HydrophobicContact CG1-CD1 4.4Å; I236-I410 HydrophobicContact CG1-CG2 3.83Å; I236-Y465 HydrophobicContact CD1-CD2 4.14Å; I236-L466 HydrophobicContact CD1-CD2 4.37Å; I236-W484 HydrophobicContact CB-CH2 3.87Å; I236-W484 HydrophobicContact CB-CZ2 3.61Å; I236-W484 HydrophobicContact CD1-CH2 3.47Å; I236-W484 VanDerWaalsContact CD1-CH2 3.47Å; I236-W484 HydrophobicContact CD1-CZ2 4.15Å; I236-W484 HydrophobicContact CD1-CZ3 3.9Å; I236-W484 HydrophobicContact CG1-CH2 4.25Å; I236-W484 HydrophobicContact CG1-CZ2 4.46Å; I236-W484 HydrophobicContact CG2-CD2 3.82Å; I236-W484 HydrophobicContact CG2-CE3 4.03Å; I236-W484 HydrophobicContact CG2-CH2 3.77Å; I236-W484 HydrophobicContact CG2-CZ2 3.54Å; I236-W484 HydrophobicContact CG2-CZ3 4Å
237	S	98.5	Very high	98.1	Very high	6 Å²	6	4.1 Å²	4.1	4%	0.042	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	-54.4	-37.6	-176.4	-64.4	0	0	0	0	115.1	D234 I239 W484 P486 S557	D234-S237 VanDerWaalsContact CG-OG 3.24Å; D234-S237 PolarHBondContact OD1-N 2.94Å; D234-S237 PolarHBondContact OD1-OG 3.32Å; D234-S237 WeakPolarHBondContact OD2-CB 3.31Å; D234-S237 PolarHBondContact OD2-OG 2.69Å; S237-I239 VanDerWaalsContact C-N 3.31Å; S237-I239 PolarHBondContact O-N 2.88Å; S237-W484 PolarHBondContact OG-NE1 2.85Å; S237-P486 VanDerWaalsContact OG-CA 3.27Å; S237-P486 WeakPolarHBondContact OG-CA 3.49Å; S237-P486 WeakPolarHBondContact OG-CB 3.44Å; S237-S557 PolarHBondContact O-OG 3.38Å
238	P	98.4	Very high	98.1	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.013	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	-74.4	-13.2	-180	-20	34.5	0	0	0	115.1	R231 D234 I236 L584 P586 F589	R231-P238 VanDerWaalsContact NH2-CG 3.34Å; D234-P238 WeakPolarHBondContact O-CD 3.36Å; I236-P238 VanDerWaalsContact C-CD 3.43Å; I236-P238 VanDerWaalsContact C-N 3.33Å; P238-L584 HydrophobicContact CB-CD1 4.29Å; P238-L584 HydrophobicContact CG-CD1 4.44Å; P238-P586 WeakPolarHBondContact O-CA 3.25Å; P238-P586 WeakPolarHBondContact O-CB 3.47Å; P238-P586 WeakPolarHBondContact O-CG 3.34Å; P238-F589 HydrophobicContact CB-CB 4.26Å; P238-F589 HydrophobicContact CB-CD1 3.72Å; P238-F589 HydrophobicContact CB-CD2 4.5Å; P238-F589 HydrophobicContact CB-CE1 4.15Å; P238-F589 HydrophobicContact CB-CG 3.9Å
239	I	98.3	Very high	98.1	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	-112.1	-1.9	-174.4	59.3	172.9	0	0	0	113.9	I236 S237 R403 L406 L407 I410 F589 L590	I236-I239 WeakPolarHBondContact O-CG1 3.43Å; I236-I239 PolarHBondContact O-N 3.12Å; I236-I239 VanDerWaalsContact O-N 3.1Å; S237-I239 VanDerWaalsContact C-N 3.31Å; S237-I239 PolarHBondContact O-N 2.88Å; I239-R403 HydrophobicContact CB-CG 4.36Å; I239-R403 WeakPolarHBondContact O-CG 3.27Å; I239-R403 PolarHBondContact O-NE 2.78Å; I239-L406 HydrophobicContact CD1-CB 3.63Å; I239-L406 HydrophobicContact CD1-CD1 4.44Å; I239-L406 HydrophobicContact CG2-CD1 4.31Å; I239-L407 HydrophobicContact CD1-CD2 3.73Å; I239-L407 HydrophobicContact CD1-CG 3.74Å; I239-L407 HydrophobicContact CG1-CD2 3.98Å; I239-L407 HydrophobicContact CG1-CG 4.24Å; I239-I410 HydrophobicContact CD1-CD1 3.98Å; I239-F589 HydrophobicContact CG2-CD1 3.52Å; I239-F589 HydrophobicContact CG2-CE1 3.74Å; I239-L590 HydrophobicContact CG2-CD2 4.14Å
240	L	98	Very high	98	Very high	9 Å²	9	5.2 Å²	5.2	5%	0.047	3%	0.027	C	C	.	.	S	Bend	trans	-85.6	143.3	178.5	-73.9	173.7	0	0	0	111.7	I236 E242 E366 A370 R403 L407 W484	I236-L240 HydrophobicContact CG2-CD1 3.6Å; I236-L240 HydrophobicContact CG2-CG 4.06Å; I236-L240 PolarHBondContact O-N 3.39Å; L240-E242 PolarHBondContact O-N 2.87Å; L240-E366 HydrophobicContact CD2-CB 3.75Å; L240-A370 HydrophobicContact CD1-CB 4.06Å; L240-A370 HydrophobicContact CD2-CB 4.03Å; L240-R403 PolarHBondContact O-NH2 2.82Å; L240-L407 HydrophobicContact CD2-CD1 3.7Å; L240-L407 HydrophobicContact CD2-CD2 3.88Å; L240-L407 HydrophobicContact CD2-CG 4.45Å; L240-L407 HydrophobicContact CG-CD2 4.31Å; L240-W484 HydrophobicContact CD1-CB 3.61Å; L240-W484 HydrophobicContact CD1-CD2 3.93Å; L240-W484 HydrophobicContact CD1-CG 3.32Å
241	H	98.2	Very high	98	Very high	7 Å²	7	6.9 Å²	6.9	3%	0.032	4%	0.036	C	C	.	.			trans	-67.5	124.8	159.5	-75.6	95.1	0	0	0	108.3	D251 C363 E366 D400 R403	H241-D251 IonicContact CD2-OD2 3.11Å; H241-D251 PolarHBondContact CD2-OD2 2.81Å; H241-D251 IonicContact CG-OD2 3.58Å; H241-D251 IonicContact NE2-OD2 3.93Å; H241-C363 VanDerWaalsContact CB-SG 3.59Å; H241-E366 VanDerWaalsContact CB-OE2 3.32Å; H241-E366 WeakPolarHBondContact CB-OE2 3.13Å; H241-E366 IonicContact CE1-OE1 3.39Å; H241-E366 PolarHBondContact CE1-OE1 3.41Å; H241-E366 IonicContact CG-OE1 2.73Å; H241-E366 IonicContact CG-OE2 3.75Å; H241-E366 PolarHBondContact N-OE2 3.16Å; H241-E366 VanDerWaalsContact ND1-CD 3.31Å; H241-E366 IonicContact ND1-OE1 3.4Å; H241-E366 PolarHBondContact ND1-OE1 2.8Å; H241-E366 IonicContact ND1-OE2 4Å; H241-E366 PolarHBondContact ND1-OE2 3.09Å; H241-E366 VanDerWaalsContact ND1-OE2 3.11Å; H241-D400 IonicContact CE1-OD1 3.59Å; H241-R403 PolarHBondContact CE1-NH1 2.95Å; H241-R403 VanDerWaalsContact CG-NH2 3.34Å; H241-R403 PolarHBondContact ND1-NH2 3.22Å; H241-R403 PolarHBondContact NE2-NH1 2.69Å
242	E	96.7	Very high	98	Very high	26 Å²	26	8.1 Å²	8.1	12%	0.121	4%	0.043	C	C	.	.			trans	-114.8	128.8	179.3	-177.4	171.2	-121.3	0	0	110.8	L240 T244 A247 M248 S557 R560	L240-E242 PolarHBondContact O-N 2.87Å; E242-T244 VanDerWaalsContact C-N 3.35Å; E242-T244 WeakPolarHBondContact CG-OG1 3.22Å; E242-T244 PolarHBondContact O-N 3.45Å; E242-T244 PolarHBondContact OE2-OG1 2.94Å; E242-A247 HydrophobicContact CB-CB 3.87Å; E242-A247 HydrophobicContact CG-CB 3.97Å; E242-A247 WeakPolarHBondContact OE2-CB 3.38Å; E242-M248 WeakPolarHBondContact O-CA 3.32Å; E242-M248 VanDerWaalsContact O-CB 3.29Å; E242-M248 WeakPolarHBondContact O-CB 3.26Å; E242-M248 PolarHBondContact O-N 2.88Å; E242-S557 WeakPolarHBondContact OE1-CA 3.42Å; E242-S557 WeakPolarHBondContact OE1-CB 3.22Å; E242-S557 WeakPolarHBondContact OE2-CA 3.44Å; E242-S557 WeakPolarHBondContact OE2-CB 3.31Å; E242-S557 PolarHBondContact OE2-N 3.21Å; E242-R560 IonicContact OE1-CZ 3.79Å; E242-R560 IonicContact OE1-NH1 3.14Å; E242-R560 PolarHBondContact OE1-NH1 3.31Å; E242-R560 IonicContact OE1-NH2 3.89Å; E242-R560 PolarHBondContact OE1-NH2 3.03Å; E242-R560 IonicContact OE2-NH1 3.79Å
243	L	97.5	Very high	97.9	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.031	5%	0.05	C	C	.	.			trans	-96.9	24.2	-173.5	-51.3	-177.1	0	0	0	113.5	M248 H291 I292 Y355 M481 S482	L243-M248 HydrophobicContact CD2-CE 4.19Å; L243-M248 HydrophobicContact CD2-SD 4.29Å; L243-H291 CarbonylContact O-C 3.52Å; L243-H291 WeakPolarHBondContact O-CA 3.5Å; L243-I292 HydrophobicContact CB-CG2 4.11Å; L243-I292 PolarHBondContact O-N 3.07Å; L243-Y355 HydrophobicContact CD1-CE2 3.8Å; L243-Y355 HydrophobicContact CD2-CD2 3.64Å; L243-Y355 HydrophobicContact CD2-CE2 3.66Å; L243-Y355 HydrophobicContact CG-CE2 4.41Å; L243-M481 HydrophobicContact CD1-CB 3.87Å; L243-S482 WeakPolarHBondContact CB-OG 3.32Å; L243-S482 WeakPolarHBondContact CD1-OG 3.41Å
244	T	97.7	Very high	97.7	Very high	10 Å²	10	13.6 Å²	13.6	6%	0.061	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-91.5	142.7	163.4	46.9	0	0	0	0	110.9	E242 Q246 A247 M248 Q290 R560	E242-T244 VanDerWaalsContact C-N 3.35Å; E242-T244 WeakPolarHBondContact CG-OG1 3.22Å; E242-T244 PolarHBondContact O-N 3.45Å; E242-T244 PolarHBondContact OE2-OG1 2.94Å; T244-Q246 VanDerWaalsContact C-N 3.34Å; T244-Q246 PolarHBondContact O-N 2.83Å; T244-Q246 VanDerWaalsContact O-N 3.13Å; T244-A247 PolarHBondContact O-N 3.15Å; T244-A247 VanDerWaalsContact O-N 3.16Å; T244-M248 VanDerWaalsContact O-CB 3.25Å; T244-M248 WeakPolarHBondContact O-CB 3.3Å; T244-M248 PolarHBondContact O-N 2.66Å; T244-Q290 CarbonylContact C-O 3.44Å; T244-Q290 VanDerWaalsContact CA-O 3.28Å; T244-Q290 WeakPolarHBondContact CA-O 3.29Å; T244-R560 PolarHBondContact OG1-NH1 2.81Å
245	F	98.3	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.9	-45.4	-159.3	-168.1	-151.2	0	0	0	114.5	A249 W284 L287 Q290 I292 V295 H344 L347 A348	F245-A249 VanDerWaalsContact O-CB 3.23Å; F245-A249 WeakPolarHBondContact O-CB 3.48Å; F245-A249 PolarHBondContact O-N 3.28Å; F245-W284 HydrophobicContact CD1-CE3 4.07Å; F245-W284 AromaticContact CD1-CZ3 3.59Å; F245-W284 HydrophobicContact CD1-CZ3 3.59Å; F245-W284 AromaticContact CE1-CE3 3.96Å; F245-W284 HydrophobicContact CE1-CE3 3.96Å; F245-W284 AromaticContact CE1-CZ3 3.64Å; F245-W284 HydrophobicContact CE1-CZ3 3.64Å; F245-W284 HydrophobicContact CG-CZ3 4.21Å; F245-W284 HydrophobicContact CZ-CZ3 4.28Å; F245-L287 HydrophobicContact CD1-CB 3.82Å; F245-L287 HydrophobicContact CE1-CB 4.15Å; F245-L287 HydrophobicContact CE1-CD1 4.42Å; F245-Q290 PolarHBondContact N-O 3.08Å; F245-I292 HydrophobicContact CD2-CD1 3.92Å; F245-I292 HydrophobicContact CE2-CD1 4.29Å; F245-V295 HydrophobicContact CB-CG2 3.95Å; F245-V295 HydrophobicContact CD1-CG1 3.99Å; F245-V295 HydrophobicContact CD1-CG2 4.37Å; F245-V295 HydrophobicContact CD2-CG1 4.32Å; F245-V295 HydrophobicContact CE1-CG1 3.92Å; F245-V295 HydrophobicContact CE2-CG1 4.26Å; F245-V295 HydrophobicContact CG-CG1 4.18Å; F245-V295 HydrophobicContact CG-CG2 4.07Å; F245-V295 HydrophobicContact CZ-CG1 4.04Å; F245-H344 AromaticContact CE1-ND1 3.76Å; F245-L347 HydrophobicContact CE1-CD2 4.08Å; F245-L347 HydrophobicContact CE2-CB 4.24Å; F245-L347 HydrophobicContact CE2-CD2 3.99Å; F245-L347 HydrophobicContact CE2-CG 3.67Å; F245-L347 HydrophobicContact CZ-CB 3.86Å; F245-L347 HydrophobicContact CZ-CD2 3.52Å; F245-L347 HydrophobicContact CZ-CG 3.56Å; F245-A348 HydrophobicContact CE2-CB 4.03Å; F245-A348 HydrophobicContact CZ-CB 4.21Å
246	Q	98.3	Very high	97.3	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-59.2	177.5	-169.6	171.4	21.9	0	0	112.6	E136 T244 M248 A249 Y250 W284 R288 H289 Y556	E136-Q246 PolarHBondContact OE1-NE2 3.45Å; T244-Q246 VanDerWaalsContact C-N 3.34Å; T244-Q246 PolarHBondContact O-N 2.83Å; T244-Q246 VanDerWaalsContact O-N 3.13Å; Q246-M248 PolarHBondContact O-N 3.22Å; Q246-A249 PolarHBondContact O-N 2.94Å; Q246-A249 VanDerWaalsContact O-N 3.12Å; Q246-Y250 HydrophobicContact CG-CD2 4.09Å; Q246-Y250 HydrophobicContact CG-CE2 4.1Å; Q246-Y250 WeakPolarHBondContact O-CD2 3.47Å; Q246-Y250 PolarHBondContact O-N 3.49Å; Q246-W284 HydrophobicContact CB-CH2 4.17Å; Q246-W284 HydrophobicContact CB-CZ2 4.21Å; Q246-W284 HydrophobicContact CG-CH2 4.27Å; Q246-W284 HydrophobicContact CG-CZ2 3.89Å; Q246-R288 HydrophobicContact CB-CB 3.97Å; Q246-R288 WeakPolarHBondContact CB-O 3.35Å; Q246-R288 PolarHBondContact N-O 3.36Å; Q246-H289 PolarHBondContact OE1-CE1 3.09Å; Q246-H289 VanDerWaalsContact OE1-CE1 3.29Å; Q246-Y556 VanDerWaalsContact CD-CD1 3.47Å; Q246-Y556 HydrophobicContact CG-CD1 3.58Å; Q246-Y556 HydrophobicContact CG-CE1 3.92Å; Q246-Y556 HydrophobicContact CG-CG 4.21Å
247	A	98.1	Very high	96.9	Very high	11 Å²	11	27 Å²	27	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-40	-177	0	0	0	0	0	111.4	E242 T244 D251	E242-A247 HydrophobicContact CB-CB 3.87Å; E242-A247 HydrophobicContact CG-CB 3.97Å; E242-A247 WeakPolarHBondContact OE2-CB 3.38Å; T244-A247 PolarHBondContact O-N 3.15Å; T244-A247 VanDerWaalsContact O-N 3.16Å; A247-D251 VanDerWaalsContact O-CB 3.25Å; A247-D251 WeakPolarHBondContact O-CB 3.23Å; A247-D251 PolarHBondContact O-N 2.91Å
248	M	98.1	Very high	96.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-46	175.8	-168.5	176.2	-175.9	0	0	111.9	E242 L243 T244 Q246 D251 L252 I292 C351 Y355	E242-M248 WeakPolarHBondContact O-CA 3.32Å; E242-M248 VanDerWaalsContact O-CB 3.29Å; E242-M248 WeakPolarHBondContact O-CB 3.26Å; E242-M248 PolarHBondContact O-N 2.88Å; L243-M248 HydrophobicContact CD2-CE 4.19Å; L243-M248 HydrophobicContact CD2-SD 4.29Å; T244-M248 VanDerWaalsContact O-CB 3.25Å; T244-M248 WeakPolarHBondContact O-CB 3.3Å; T244-M248 PolarHBondContact O-N 2.66Å; Q246-M248 PolarHBondContact O-N 3.22Å; M248-D251 PolarHBondContact O-N 3.28Å; M248-L252 HydrophobicContact CE-CD1 3.64Å; M248-L252 HydrophobicContact CG-CD1 3.64Å; M248-L252 HydrophobicContact CG-CG 4.25Å; M248-L252 VanDerWaalsContact O-CB 3.25Å; M248-L252 WeakPolarHBondContact O-CB 3.47Å; M248-L252 WeakPolarHBondContact O-CG 3.24Å; M248-L252 PolarHBondContact O-N 2.68Å; M248-I292 HydrophobicContact CE-CG1 4.27Å; M248-I292 HydrophobicContact CE-CG2 4.3Å; M248-I292 HydrophobicContact SD-CB 3.61Å; M248-I292 HydrophobicContact SD-CD1 4.14Å; M248-I292 HydrophobicContact SD-CG1 3.68Å; M248-I292 HydrophobicContact SD-CG2 3.76Å; M248-C351 HydrophobicContact CE-CB 3.96Å; M248-C351 VanDerWaalsContact CE-O 3.29Å; M248-C351 WeakPolarHBondContact CE-O 3.3Å; M248-C351 HydrophobicContact CG-CB 4.23Å; M248-C351 HydrophobicContact SD-CB 3.98Å; M248-Y355 VanDerWaalsContact CE-CB 3.41Å; M248-Y355 HydrophobicContact CE-CD2 4.18Å; M248-Y355 HydrophobicContact CE-CG 3.96Å
249	A	98.4	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-46	-179.7	0	0	0	0	0	111.9	F245 Q246 L253 I255 L347	F245-A249 VanDerWaalsContact O-CB 3.23Å; F245-A249 WeakPolarHBondContact O-CB 3.48Å; F245-A249 PolarHBondContact O-N 3.28Å; Q246-A249 PolarHBondContact O-N 2.94Å; Q246-A249 VanDerWaalsContact O-N 3.12Å; A249-L253 HydrophobicContact CB-CD1 4.43Å; A249-L253 VanDerWaalsContact O-CB 3.23Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 PolarHBondContact O-N 3.48Å; A249-I255 HydrophobicContact CB-CD1 3.85Å; A249-L347 HydrophobicContact CB-CD1 4.13Å
250	Y	98	Very high	96.5	Very high	24 Å²	24	30.7 Å²	30.7	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-74.7	-22.8	-179.6	-78.6	-96.1	0	0	0	113.8	Q246 I255 D258 L277 W284 Y556 V585	Q246-Y250 HydrophobicContact CG-CD2 4.09Å; Q246-Y250 HydrophobicContact CG-CE2 4.1Å; Q246-Y250 WeakPolarHBondContact O-CD2 3.47Å; Q246-Y250 PolarHBondContact O-N 3.49Å; Y250-I255 HydrophobicContact CD1-CB 4.28Å; Y250-I255 HydrophobicContact CD1-CG2 3.93Å; Y250-I255 HydrophobicContact CE1-CB 4.44Å; Y250-I255 HydrophobicContact CE1-CG2 3.6Å; Y250-D258 WeakPolarHBondContact CE1-OD1 3.22Å; Y250-D258 PolarHBondContact OH-OD1 3.13Å; Y250-L277 HydrophobicContact CE2-CD1 4.48Å; Y250-W284 HydrophobicContact CE2-CZ2 4.27Å; Y250-Y556 VanDerWaalsContact CB-CE2 3.44Å; Y250-Y556 AromaticContact CD1-CE2 3.72Å; Y250-Y556 HydrophobicContact CD1-CE2 3.72Å; Y250-Y556 AromaticContact CD1-CZ 3.68Å; Y250-Y556 WeakPolarHBondContact CD1-OH 3.22Å; Y250-Y556 HydrophobicContact CD2-CE1 4.22Å; Y250-Y556 AromaticContact CD2-CE2 3.91Å; Y250-Y556 HydrophobicContact CD2-CE2 3.91Å; Y250-Y556 AromaticContact CD2-CZ 3.74Å; Y250-Y556 HydrophobicContact CE1-CE2 4.39Å; Y250-Y556 AromaticContact CE1-CZ 3.88Å; Y250-Y556 WeakPolarHBondContact CE1-OH 3.13Å; Y250-Y556 HydrophobicContact CE2-CE1 4.25Å; Y250-Y556 AromaticContact CE2-CZ 3.95Å; Y250-Y556 HydrophobicContact CG-CD2 4.22Å; Y250-Y556 HydrophobicContact CG-CE1 4.48Å; Y250-Y556 AromaticContact CG-CE2 3.42Å; Y250-Y556 HydrophobicContact CG-CE2 3.42Å; Y250-Y556 VanDerWaalsContact CG-CE2 3.42Å; Y250-Y556 AromaticContact CG-CZ 3.58Å; Y250-Y556 AromaticContact CZ-CZ 3.99Å; Y250-V585 WeakPolarHBondContact O-CG1 3.4Å
251	D	97.5	Very high	96.4	Very high	34 Å²	34	35.4 Å²	35.4	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-81.5	-43.7	173.7	-171.3	25.1	0	0	0	111.6	H241 A247 M248 R403 P586	H241-D251 IonicContact CD2-OD2 3.11Å; H241-D251 PolarHBondContact CD2-OD2 2.81Å; H241-D251 IonicContact CG-OD2 3.58Å; H241-D251 IonicContact NE2-OD2 3.93Å; A247-D251 VanDerWaalsContact O-CB 3.25Å; A247-D251 WeakPolarHBondContact O-CB 3.23Å; A247-D251 PolarHBondContact O-N 2.91Å; M248-D251 PolarHBondContact O-N 3.28Å; D251-R403 IonicContact OD1-CZ 3.16Å; D251-R403 IonicContact OD1-NH1 3.28Å; D251-R403 PolarHBondContact OD1-NH1 3.38Å; D251-R403 IonicContact OD1-NH2 3.85Å; D251-R403 IonicContact OD2-CZ 2.72Å; D251-R403 IonicContact OD2-NH1 2.65Å; D251-R403 IonicContact OD2-NH2 3.01Å; D251-R403 PolarHBondContact OD2-NH2 2.87Å; D251-P586 WeakPolarHBondContact OD1-CD 3.29Å; D251-P586 WeakPolarHBondContact OD1-CG 3.37Å
252	L	96.9	Very high	96.1	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-96.2	-19.3	-168.7	-60.7	-173	0	0	0	115	M248 T354 A359	M248-L252 HydrophobicContact CE-CD1 3.64Å; M248-L252 HydrophobicContact CG-CD1 3.64Å; M248-L252 HydrophobicContact CG-CG 4.25Å; M248-L252 VanDerWaalsContact O-CB 3.25Å; M248-L252 WeakPolarHBondContact O-CB 3.47Å; M248-L252 WeakPolarHBondContact O-CG 3.24Å; M248-L252 PolarHBondContact O-N 2.68Å; L252-T354 HydrophobicContact CB-CG2 3.92Å; L252-T354 HydrophobicContact CD1-CG2 4.44Å; L252-T354 HydrophobicContact CD2-CG2 4.37Å; L252-T354 HydrophobicContact CG-CG2 4.49Å; L252-A359 HydrophobicContact CD1-CB 4.35Å; L252-A359 HydrophobicContact CD2-CB 4Å
253	L	96.9	Very high	95.5	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.147	20%	0.204	C	C	.	.	S	Bend	trans	-115.7	154.8	-175.2	-50	179.4	0	0	0	111.1	A249 I255 Y260 L347 D350	A249-L253 HydrophobicContact CB-CD1 4.43Å; A249-L253 VanDerWaalsContact O-CB 3.23Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 PolarHBondContact O-N 3.48Å; L253-I255 HydrophobicContact CB-CD1 4.31Å; L253-I255 HydrophobicContact CB-CG1 4.11Å; L253-I255 PolarHBondContact O-N 2.94Å; L253-Y260 HydrophobicContact CD1-CD2 4.49Å; L253-Y260 HydrophobicContact CD1-CE2 4.2Å; L253-L347 HydrophobicContact CD1-CD1 3.5Å; L253-L347 VanDerWaalsContact CD1-CD1 3.5Å; L253-D350 HydrophobicContact CD1-CB 4.08Å; L253-D350 HydrophobicContact CD2-CB 3.9Å
254	A	93.9	Very high	94.6	Very high	89 Å²	89	40 Å²	40	74%	0.736	21%	0.212	S	C	*	.			trans	-77.1	60.8	178.2	0	0	0	0	0	111.9
255	I	96.5	Very high	93.3	Very high	20 Å²	20	43.7 Å²	43.7	10%	0.103	24%	0.235	C	C	.	.			trans	-88.8	116.3	176.5	-61.6	174.3	0	0	0	108.4	A249 Y250 L253 L277 L347	A249-I255 HydrophobicContact CB-CD1 3.85Å; Y250-I255 HydrophobicContact CD1-CB 4.28Å; Y250-I255 HydrophobicContact CD1-CG2 3.93Å; Y250-I255 HydrophobicContact CE1-CB 4.44Å; Y250-I255 HydrophobicContact CE1-CG2 3.6Å; L253-I255 HydrophobicContact CB-CD1 4.31Å; L253-I255 HydrophobicContact CB-CG1 4.11Å; L253-I255 PolarHBondContact O-N 2.94Å; I255-L277 HydrophobicContact CD1-CD1 3.83Å; I255-L347 HydrophobicContact CD1-CD1 4.47Å
256	E	91.4	Very high	91.8	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	24%	0.244	S	C	*	.	B	Isolated β-bridge	trans	-122.9	134.1	176.9	-66.7	-177.4	173.5	0	0	109.3	D258 V259	E256-D258 PolarHBondContact O-N 3.28Å; E256-V259 WeakPolarHBondContact O-CB 3.29Å; E256-V259 PolarHBondContact O-N 3.41Å
257	N	90.3	Very high	90.2	Very high	137 Å²	137	46.5 Å²	46.5	73%	0.733	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	40.3	-176.7	-55.6	-52.6	0	0	0	112.7	V259	N257-V259 PolarHBondContact O-N 2.92Å; N257-V259 VanDerWaalsContact O-N 3.09Å
258	D	94.2	Very high	88.7	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	10.7	-178	-49	-48.1	0	0	0	114.6	Y250 E256 I276 L277	Y250-D258 WeakPolarHBondContact CE1-OD1 3.22Å; Y250-D258 PolarHBondContact OH-OD1 3.13Å; E256-D258 PolarHBondContact O-N 3.28Å; D258-I276 HydrophobicContact CB-CG2 4.34Å; D258-I276 CarbonylContact O-C 3.59Å; D258-I276 WeakPolarHBondContact O-CA 3.23Å; D258-L277 PolarHBondContact O-N 3.29Å
259	V	96.1	Very high	87.4	Confident	24 Å²	24	58 Å²	58	15%	0.145	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.9	178.7	-175.4	0	0	0	0	110.4	E256 N257 R261 E274 I275 I276	E256-V259 WeakPolarHBondContact O-CB 3.29Å; E256-V259 PolarHBondContact O-N 3.41Å; N257-V259 PolarHBondContact O-N 2.92Å; N257-V259 VanDerWaalsContact O-N 3.09Å; V259-R261 HydrophobicContact CG1-CG 4.13Å; V259-E274 HydrophobicContact CG1-CB 3.9Å; V259-E274 HydrophobicContact CG1-CG 4.45Å; V259-I275 CarbonylContact C-O 3.5Å; V259-I275 WeakPolarHBondContact CA-O 3.39Å; V259-I276 HydrophobicContact CG2-CG1 4.33Å
260	Y	96.5	Very high	86.4	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.02	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.6	166.9	169.9	-124.9	0	0	0	110.5	L253 Y262 E274 I275 T343 H346 L347 D350	L253-Y260 HydrophobicContact CD1-CD2 4.49Å; L253-Y260 HydrophobicContact CD1-CE2 4.2Å; Y260-Y262 AromaticContact CD1-CD1 3.9Å; Y260-Y262 HydrophobicContact CD1-CD1 3.9Å; Y260-Y262 HydrophobicContact CD1-CE1 4.44Å; Y260-Y262 AromaticContact CE1-CD1 3.35Å; Y260-Y262 HydrophobicContact CE1-CD1 3.35Å; Y260-Y262 HydrophobicContact CE1-CE1 4.02Å; Y260-Y262 AromaticContact CE1-CG 3.97Å; Y260-Y262 HydrophobicContact CE1-CG 3.97Å; Y260-Y262 AromaticContact CZ-CD1 3.88Å; Y260-Y262 WeakPolarHBondContact OH-CB 3.46Å; Y260-E274 WeakPolarHBondContact O-CA 3.41Å; Y260-I275 PolarHBondContact N-O 2.96Å; Y260-I275 PolarHBondContact O-N 3.46Å; Y260-T343 HydrophobicContact CD1-CG2 4.22Å; Y260-T343 HydrophobicContact CE1-CG2 4.37Å; Y260-H346 WeakPolarHBondContact OH-CB 3.42Å; Y260-H346 PolarHBondContact OH-O 3.19Å; Y260-L347 HydrophobicContact CD1-CB 4.31Å; Y260-L347 HydrophobicContact CD1-CD1 4.03Å; Y260-L347 HydrophobicContact CD2-CD1 3.71Å; Y260-L347 HydrophobicContact CE1-CB 3.76Å; Y260-L347 HydrophobicContact CE1-CD1 4Å; Y260-L347 HydrophobicContact CE1-CG 4.43Å; Y260-L347 HydrophobicContact CE2-CD1 3.72Å; Y260-L347 HydrophobicContact CG-CD1 3.88Å; Y260-L347 WeakPolarHBondContact OH-CA 3.45Å; Y260-L347 PolarHBondContact OH-N 2.95Å; Y260-D350 WeakPolarHBondContact CE2-OD2 3.48Å; Y260-D350 PolarHBondContact OH-OD2 3.32Å
261	R	95.2	Very high	85.7	Confident	107 Å²	107	72 Å²	72	40%	0.404	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.8	180	-55.7	-172.5	176.8	83.2	2.1	110.4	V259 V272 K273 E274	V259-R261 HydrophobicContact CG1-CG 4.13Å; R261-V272 HydrophobicContact CB-CG1 4.24Å; R261-K273 VanDerWaalsContact CA-O 3.32Å; R261-K273 WeakPolarHBondContact CA-O 2.93Å; R261-E274 HydrophobicContact CG-CG 4.05Å; R261-E274 IonicContact CZ-OE1 3.48Å; R261-E274 IonicContact NE-OE1 3.95Å; R261-E274 PolarHBondContact NE-OE1 2.83Å; R261-E274 IonicContact NH2-OE1 2.79Å
262	Y	91.1	Very high	85.3	Confident	10 Å²	10	75 Å²	75	4%	0.039	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.4	174.8	70.5	-83	0	0	0	112.1	Y260 N264 K273 I275 T343 H346	Y260-Y262 AromaticContact CD1-CD1 3.9Å; Y260-Y262 HydrophobicContact CD1-CD1 3.9Å; Y260-Y262 HydrophobicContact CD1-CE1 4.44Å; Y260-Y262 AromaticContact CE1-CD1 3.35Å; Y260-Y262 HydrophobicContact CE1-CD1 3.35Å; Y260-Y262 HydrophobicContact CE1-CE1 4.02Å; Y260-Y262 AromaticContact CE1-CG 3.97Å; Y260-Y262 HydrophobicContact CE1-CG 3.97Å; Y260-Y262 AromaticContact CZ-CD1 3.88Å; Y260-Y262 WeakPolarHBondContact OH-CB 3.46Å; Y262-N264 HydrophobicContact CE2-CB 4.15Å; Y262-K273 HydrophobicContact CD1-CB 4.46Å; Y262-K273 HydrophobicContact CE1-CB 4.14Å; Y262-K273 HydrophobicContact CE1-CD 4.07Å; Y262-K273 HydrophobicContact CE1-CG 4.26Å; Y262-K273 HydrophobicContact CE2-CD 4.49Å; Y262-K273 PolarHBondContact N-O 3.34Å; Y262-K273 PolarHBondContact O-N 3.05Å; Y262-K273 WeakPolarHBondContact OH-CD 2.99Å; Y262-K273 PolarHBondContact OH-NZ 3.15Å; Y262-I275 HydrophobicContact CE1-CD1 3.64Å; Y262-I275 HydrophobicContact CE1-CG1 4.35Å; Y262-T343 HydrophobicContact CE1-CG2 4.42Å; Y262-T343 PolarHBondContact OH-OG1 2.99Å; Y262-H346 HydrophobicContact CD2-CB 3.85Å; Y262-H346 AromaticContact CD2-CD2 3.37Å; Y262-H346 WeakPolarHBondContact CD2-CD2 3.38Å; Y262-H346 AromaticContact CD2-CG 3.49Å; Y262-H346 VanDerWaalsContact CD2-CG 3.49Å; Y262-H346 AromaticContact CD2-ND1 3.91Å; Y262-H346 AromaticContact CD2-NE2 3.72Å; Y262-H346 HydrophobicContact CE2-CB 4.17Å; Y262-H346 AromaticContact CE2-CD2 3.03Å; Y262-H346 WeakPolarHBondContact CE2-CD2 3.46Å; Y262-H346 AromaticContact CE2-CG 3.66Å; Y262-H346 AromaticContact CE2-NE2 3.43Å; Y262-H346 WeakPolarHBondContact CE2-NE2 3.18Å; Y262-H346 HydrophobicContact CG-CB 4.08Å; Y262-H346 AromaticContact CZ-CD2 3.82Å
263	I	85.3	Confident	85	Confident	85 Å²	85	76.3 Å²	76.3	44%	0.436	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.3	175.2	-60.4	172.3	0	0	0	108.3	T265 E270	I263-T265 HydrophobicContact CG2-CG2 4.38Å; I263-T265 PolarHBondContact O-N 2.63Å; I263-E270 HydrophobicContact CG2-CB 3.8Å; I263-E270 HydrophobicContact CG2-CG 3.98Å
264	N	77.4	Confident	84.8	Confident	40 Å²	40	80.6 Å²	80.6	21%	0.214	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.4	175	-175.1	0.2	0	0	0	110.3	Y262 S266 R271	Y262-N264 HydrophobicContact CE2-CB 4.15Å; N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 WeakPolarHBondContact OD1-CB 3.19Å; N264-S266 PolarHBondContact OD1-N 3.21Å; N264-S266 PolarHBondContact OD1-OG 2.73Å; N264-R271 PolarHBondContact N-O 3.37Å
265	T	71.7	Confident	84.8	Confident	88 Å²	88	77.2 Å²	77.2	54%	0.54	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	3.2	177.9	54.5	0	0	0	0	113.7	I263 G267	I263-T265 HydrophobicContact CG2-CG2 4.38Å; I263-T265 PolarHBondContact O-N 2.63Å; T265-G267 VanDerWaalsContact C-N 3.31Å; T265-G267 PolarHBondContact O-N 3.04Å
266	S	66.7	Low	84.7	Confident	26 Å²	26	81.1 Å²	81.1	18%	0.182	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	-179	-61.4	0	0	0	0	114.4	N264 S325	N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 WeakPolarHBondContact OD1-CB 3.19Å; N264-S266 PolarHBondContact OD1-N 3.21Å; N264-S266 PolarHBondContact OD1-OG 2.73Å; S266-S325 VanDerWaalsContact CB-OG 3.31Å; S266-S325 WeakPolarHBondContact CB-OG 3.44Å; S266-S325 PolarHBondContact OG-OG 3.22Å
267	G	64.5	Low	84.8	Confident	37 Å²	37	75.4 Å²	75.4	38%	0.381	39%	0.391	S	S	.	.	S	Bend	trans	-106.9	172.6	-177.5	0	0	0	0	0	113.5	T265 E269	T265-G267 VanDerWaalsContact C-N 3.31Å; T265-G267 PolarHBondContact O-N 3.04Å; G267-E269 VanDerWaalsContact C-N 3.26Å; G267-E269 PolarHBondContact O-N 3.35Å
268	P	66.5	Low	84.9	Confident	141 Å²	141	71 Å²	71	92%	0.916	37%	0.367	S	S	*	.	S	Bend	trans	-70	-21.9	174.9	28.7	-33.7	0	0	0	113.4
269	E	70.5	Confident	84.8	Confident	113 Å²	113	70 Å²	70	53%	0.528	36%	0.361	S	S	.	.	S	Bend	trans	-114.6	132.3	176.5	-68.3	176.3	178.6	0	0	109.6	G267 R271	G267-E269 VanDerWaalsContact C-N 3.26Å; G267-E269 PolarHBondContact O-N 3.35Å; E269-R271 HydrophobicContact CB-CG 4.32Å; E269-R271 PolarHBondContact O-N 3.29Å; E269-R271 IonicContact OE2-CZ 3.3Å; E269-R271 VanDerWaalsContact OE2-CZ 3.27Å; E269-R271 IonicContact OE2-NE 2.92Å; E269-R271 PolarHBondContact OE2-NE 2.58Å; E269-R271 IonicContact OE2-NH2 2.59Å; E269-R271 PolarHBondContact OE2-NH2 3.1Å
270	E	76.9	Confident	84.5	Confident	154 Å²	154	73.6 Å²	73.6	72%	0.72	38%	0.383	S	S	*	.			trans	-67	113.2	167.3	-71	-175.8	178.9	0	0	108.8	I263	I263-E270 HydrophobicContact CG2-CB 3.8Å; I263-E270 HydrophobicContact CG2-CG 3.98Å
271	R	83.2	Confident	84.3	Confident	163 Å²	163	73.8 Å²	73.8	62%	0.615	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.2	175.2	-64.9	-175.1	-176.4	-175.6	0.5	109.4	N264 E269 K273	N264-R271 PolarHBondContact N-O 3.37Å; E269-R271 HydrophobicContact CB-CG 4.32Å; E269-R271 PolarHBondContact O-N 3.29Å; E269-R271 IonicContact OE2-CZ 3.3Å; E269-R271 VanDerWaalsContact OE2-CZ 3.27Å; E269-R271 IonicContact OE2-NE 2.92Å; E269-R271 PolarHBondContact OE2-NE 2.58Å; E269-R271 IonicContact OE2-NH2 2.59Å; E269-R271 PolarHBondContact OE2-NH2 3.1Å; R271-K273 PolarHBondContact O-N 3.2Å
272	V	89.5	Confident	84.2	Confident	98 Å²	98	76.3 Å²	76.3	59%	0.594	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.3	167.7	-178.6	0	0	0	0	107.5	R261	R261-V272 HydrophobicContact CB-CG1 4.24Å
273	K	90.7	Very high	84.4	Confident	53 Å²	53	76.5 Å²	76.5	23%	0.23	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.1	175.7	-171.6	173.5	172.3	-155.8	0	108.7	R261 Y262 R271 I275 S339	R261-K273 VanDerWaalsContact CA-O 3.32Å; R261-K273 WeakPolarHBondContact CA-O 2.93Å; Y262-K273 HydrophobicContact CD1-CB 4.46Å; Y262-K273 HydrophobicContact CE1-CB 4.14Å; Y262-K273 HydrophobicContact CE1-CD 4.07Å; Y262-K273 HydrophobicContact CE1-CG 4.26Å; Y262-K273 HydrophobicContact CE2-CD 4.49Å; Y262-K273 PolarHBondContact N-O 3.34Å; Y262-K273 PolarHBondContact O-N 3.05Å; Y262-K273 WeakPolarHBondContact OH-CD 2.99Å; Y262-K273 PolarHBondContact OH-NZ 3.15Å; R271-K273 PolarHBondContact O-N 3.2Å; K273-I275 HydrophobicContact CD-CD1 4.19Å; K273-I275 HydrophobicContact CG-CD1 4.31Å; K273-I275 HydrophobicContact CG-CG1 4.17Å; K273-S339 PolarHBondContact NZ-OG 3.46Å
274	E	93.7	Very high	84.9	Confident	118 Å²	118	72.5 Å²	72.5	55%	0.551	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	133.6	176.7	-54	-164.1	144.9	0	0	109.7	V259 Y260 R261	V259-E274 HydrophobicContact CG1-CB 3.9Å; V259-E274 HydrophobicContact CG1-CG 4.45Å; Y260-E274 WeakPolarHBondContact O-CA 3.41Å; R261-E274 HydrophobicContact CG-CG 4.05Å; R261-E274 IonicContact CZ-OE1 3.48Å; R261-E274 IonicContact NE-OE1 3.95Å; R261-E274 PolarHBondContact NE-OE1 2.83Å; R261-E274 IonicContact NH2-OE1 2.79Å
275	I	93.2	Very high	85.8	Confident	19 Å²	19	72.5 Å²	72.5	10%	0.097	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.8	-179.4	-58	-177.5	0	0	0	109.2	V259 Y260 Y262 K273 T343	V259-I275 CarbonylContact C-O 3.5Å; V259-I275 WeakPolarHBondContact CA-O 3.39Å; Y260-I275 PolarHBondContact N-O 2.96Å; Y260-I275 PolarHBondContact O-N 3.46Å; Y262-I275 HydrophobicContact CE1-CD1 3.64Å; Y262-I275 HydrophobicContact CE1-CG1 4.35Å; K273-I275 HydrophobicContact CD-CD1 4.19Å; K273-I275 HydrophobicContact CG-CD1 4.31Å; K273-I275 HydrophobicContact CG-CG1 4.17Å; I275-T343 HydrophobicContact CB-CG2 4.45Å; I275-T343 HydrophobicContact CD1-CG2 3.49Å; I275-T343 VanDerWaalsContact CD1-CG2 3.49Å; I275-T343 WeakPolarHBondContact CD1-OG1 3.42Å; I275-T343 HydrophobicContact CG2-CG2 4.22Å
276	I	93.3	Very high	86.9	Confident	102 Å²	102	72.9 Å²	72.9	52%	0.523	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.8	173.9	-58.3	171.8	0	0	0	108.1	D258 V259 D278	D258-I276 HydrophobicContact CB-CG2 4.34Å; D258-I276 CarbonylContact O-C 3.59Å; D258-I276 WeakPolarHBondContact O-CA 3.23Å; V259-I276 HydrophobicContact CG2-CG1 4.33Å; I276-D278 HydrophobicContact CG2-CB 4.19Å; I276-D278 PolarHBondContact O-N 2.94Å
277	L	94.9	Very high	88.4	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.031	37%	0.372	C	S	.	.			trans	-85.8	95.1	175.1	-60.2	-178.5	0	0	0	109.6	Y250 I255 D258 W284 L347	Y250-L277 HydrophobicContact CE2-CD1 4.48Å; I255-L277 HydrophobicContact CD1-CD1 3.83Å; D258-L277 PolarHBondContact O-N 3.29Å; L277-W284 HydrophobicContact CB-CZ2 4.26Å; L277-W284 HydrophobicContact CD1-CH2 4.07Å; L277-W284 HydrophobicContact CD1-CZ2 4.13Å; L277-L347 HydrophobicContact CD1-CD2 4.09Å; L277-L347 HydrophobicContact CD2-CD2 4.07Å
278	D	92.2	Very high	89.9	Confident	45 Å²	45	70.3 Å²	70.3	24%	0.241	36%	0.355	C	S	.	.	S	Bend	trans	-137.9	-180	-178.6	73.5	16.1	0	0	0	113.3	I276 T280 D281	I276-D278 HydrophobicContact CG2-CB 4.19Å; I276-D278 PolarHBondContact O-N 2.94Å; D278-T280 PolarHBondContact O-N 3.31Å; D278-T280 WeakPolarHBondContact OD1-CA 3.44Å; D278-T280 VanDerWaalsContact OD1-CB 3.25Å; D278-T280 WeakPolarHBondContact OD1-CB 3.39Å; D278-T280 PolarHBondContact OD1-N 2.9Å; D278-T280 PolarHBondContact OD1-OG1 3.38Å; D278-D281 PolarHBondContact O-N 3.37Å
279	E	92.3	Very high	91.4	Very high	37 Å²	37	65 Å²	65	17%	0.173	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.3	-178.7	-61.5	-163.3	142.6	0	0	114.7	E136 S137 C285 R288	E136-E279 WeakPolarHBondContact CB-OE1 3.4Å; S137-E279 WeakPolarHBondContact CA-OE2 3.35Å; S137-E279 WeakPolarHBondContact CB-OE1 3.45Å; S137-E279 WeakPolarHBondContact CB-OE2 3.44Å; S137-E279 PolarHBondContact N-OE1 2.7Å; S137-E279 PolarHBondContact N-OE2 3.06Å; S137-E279 VanDerWaalsContact OG-CD 3.31Å; S137-E279 PolarHBondContact OG-OE1 3.43Å; S137-E279 PolarHBondContact OG-OE2 3.33Å; E279-C285 VanDerWaalsContact CA-SG 3.56Å; E279-R288 IonicContact OE1-CZ 3.51Å; E279-R288 IonicContact OE1-NH1 3.81Å; E279-R288 PolarHBondContact OE1-NH1 3.17Å; E279-R288 IonicContact OE1-NH2 3.22Å; E279-R288 PolarHBondContact OE1-NH2 3.49Å
280	T	89.3	Confident	92.7	Very high	98 Å²	98	63.7 Å²	63.7	60%	0.601	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.4	169.1	74.9	0	0	0	0	111.7	D278	D278-T280 PolarHBondContact O-N 3.31Å; D278-T280 WeakPolarHBondContact OD1-CA 3.44Å; D278-T280 VanDerWaalsContact OD1-CB 3.25Å; D278-T280 WeakPolarHBondContact OD1-CB 3.39Å; D278-T280 PolarHBondContact OD1-N 2.9Å; D278-T280 PolarHBondContact OD1-OG1 3.38Å
281	D	92.4	Very high	93.6	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.053	28%	0.283	C	S	.	.			trans	-90.8	101.2	168.7	-173.1	-20.2	0	0	0	110.2	D278 L283 W284 C285 M340 H344	D278-D281 PolarHBondContact O-N 3.37Å; D281-L283 VanDerWaalsContact C-N 3.25Å; D281-L283 PolarHBondContact O-N 2.93Å; D281-L283 WeakPolarHBondContact OD1-CA 3.29Å; D281-L283 WeakPolarHBondContact OD1-CB 3.4Å; D281-L283 PolarHBondContact OD1-N 3.44Å; D281-W284 HydrophobicContact CB-CB 3.78Å; D281-W284 WeakPolarHBondContact O-CB 3.22Å; D281-W284 PolarHBondContact O-N 3.45Å; D281-W284 PolarHBondContact OD1-N 2.86Å; D281-C285 PolarHBondContact O-N 2.86Å; D281-C285 VanDerWaalsContact O-N 3.15Å; D281-C285 PolarHBondContact O-SG 2.99Å; D281-C285 VanDerWaalsContact O-SG 3.35Å; D281-M340 HydrophobicContact CB-SD 4.42Å; D281-H344 IonicContact OD1-NE2 2.74Å; D281-H344 PolarHBondContact OD1-NE2 3.33Å; D281-H344 IonicContact OD2-CD2 3.69Å; D281-H344 IonicContact OD2-CE1 3.84Å; D281-H344 IonicContact OD2-NE2 3.76Å; D281-H344 PolarHBondContact OD2-NE2 2.89Å
282	E	92.9	Very high	94.3	Very high	159 Å²	159	50.1 Å²	50.1	74%	0.743	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-34.6	177.9	-64.9	-177.9	175.1	0	0	112.1	C285 E286	E282-C285 PolarHBondContact O-N 3.46Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.4Å; E282-E286 VanDerWaalsContact O-N 3.12Å
283	L	94.8	Very high	94.5	Very high	14 Å²	14	48 Å²	48	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-38.4	179.7	-177.4	57.9	0	0	0	110.6	D281 E286 L287 K302 Y341 H344	D281-L283 VanDerWaalsContact C-N 3.25Å; D281-L283 PolarHBondContact O-N 2.93Å; D281-L283 WeakPolarHBondContact OD1-CA 3.29Å; D281-L283 WeakPolarHBondContact OD1-CB 3.4Å; D281-L283 PolarHBondContact OD1-N 3.44Å; L283-E286 PolarHBondContact O-N 3.26Å; L283-L287 HydrophobicContact CD1-CD1 3.68Å; L283-L287 HydrophobicContact CD1-CG 3.97Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; L283-L287 HydrophobicContact CG-CD1 3.71Å; L283-L287 HydrophobicContact CG-CG 4.37Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.23Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 3.34Å; L283-K302 HydrophobicContact CD1-CD 3.49Å; L283-K302 VanDerWaalsContact CD1-CD 3.49Å; L283-Y341 HydrophobicContact CD2-CD1 3.49Å; L283-Y341 VanDerWaalsContact CD2-CD1 3.49Å; L283-Y341 HydrophobicContact CD2-CE1 3.6Å; L283-Y341 HydrophobicContact CD2-CG 4.12Å; L283-H344 HydrophobicContact CD2-CB 4.46Å
284	W	96.6	Very high	94.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-50.4	170	177.6	-124.7	0	0	0	111.3	F245 Q246 Y250 L277 D281 E286 L287 R288 H344 L347	F245-W284 HydrophobicContact CD1-CE3 4.07Å; F245-W284 AromaticContact CD1-CZ3 3.59Å; F245-W284 HydrophobicContact CD1-CZ3 3.59Å; F245-W284 AromaticContact CE1-CE3 3.96Å; F245-W284 HydrophobicContact CE1-CE3 3.96Å; F245-W284 AromaticContact CE1-CZ3 3.64Å; F245-W284 HydrophobicContact CE1-CZ3 3.64Å; F245-W284 HydrophobicContact CG-CZ3 4.21Å; F245-W284 HydrophobicContact CZ-CZ3 4.28Å; Q246-W284 HydrophobicContact CB-CH2 4.17Å; Q246-W284 HydrophobicContact CB-CZ2 4.21Å; Q246-W284 HydrophobicContact CG-CH2 4.27Å; Q246-W284 HydrophobicContact CG-CZ2 3.89Å; Y250-W284 HydrophobicContact CE2-CZ2 4.27Å; L277-W284 HydrophobicContact CB-CZ2 4.26Å; L277-W284 HydrophobicContact CD1-CH2 4.07Å; L277-W284 HydrophobicContact CD1-CZ2 4.13Å; D281-W284 HydrophobicContact CB-CB 3.78Å; D281-W284 WeakPolarHBondContact O-CB 3.22Å; D281-W284 PolarHBondContact O-N 3.45Å; D281-W284 PolarHBondContact OD1-N 2.86Å; W284-E286 PolarHBondContact O-N 3.44Å; W284-L287 PolarHBondContact O-N 3.06Å; W284-L287 VanDerWaalsContact O-N 3.1Å; W284-R288 HydrophobicContact CD2-CB 3.84Å; W284-R288 HydrophobicContact CE3-CB 4.01Å; W284-R288 HydrophobicContact CG-CB 4.49Å; W284-R288 HydrophobicContact CH2-CB 4.11Å; W284-R288 HydrophobicContact CZ2-CB 3.91Å; W284-R288 HydrophobicContact CZ3-CB 4.14Å; W284-R288 WeakPolarHBondContact O-CB 3.42Å; W284-R288 WeakPolarHBondContact O-CG 3.31Å; W284-R288 PolarHBondContact O-N 3.35Å; W284-H344 AromaticContact CE3-CE1 3.68Å; W284-H344 AromaticContact CE3-ND1 3.98Å; W284-H344 PolarHBondContact N-NE2 3.32Å; W284-L347 HydrophobicContact CE3-CD2 4.29Å; W284-L347 HydrophobicContact CH2-CD2 4.29Å; W284-L347 HydrophobicContact CZ3-CD2 3.66Å
285	C	96	Very high	94.8	Very high	39 Å²	39	40.9 Å²	40.9	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-35.2	-179.5	-65.7	0	0	0	0	113.2	E279 D281 E282	E279-C285 VanDerWaalsContact CA-SG 3.56Å; D281-C285 PolarHBondContact O-N 2.86Å; D281-C285 VanDerWaalsContact O-N 3.15Å; D281-C285 PolarHBondContact O-SG 2.99Å; D281-C285 VanDerWaalsContact O-SG 3.35Å; E282-C285 PolarHBondContact O-N 3.46Å
286	E	95.2	Very high	94.7	Very high	97 Å²	97	42.2 Å²	42.2	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-75.3	-35.6	177.4	-70.3	179.4	149.3	0	0	113.3	E282 L283 W284 K302	E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.4Å; E282-E286 VanDerWaalsContact O-N 3.12Å; L283-E286 PolarHBondContact O-N 3.26Å; W284-E286 PolarHBondContact O-N 3.44Å; E286-K302 VanDerWaalsContact CD-NZ 3.26Å; E286-K302 IonicContact OE1-NZ 3.11Å; E286-K302 PolarHBondContact OE1-NZ 2.84Å; E286-K302 WeakPolarHBondContact OE2-CE 3.41Å; E286-K302 IonicContact OE2-NZ 2.69Å; E286-K302 PolarHBondContact OE2-NZ 2.88Å
287	L	97.4	Very high	94.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-92.3	-30.8	-172.9	-66.1	174.7	0	0	0	114	F245 L283 W284 H289 Q290 V295 Q298 V299 H344	F245-L287 HydrophobicContact CD1-CB 3.82Å; F245-L287 HydrophobicContact CE1-CB 4.15Å; F245-L287 HydrophobicContact CE1-CD1 4.42Å; L283-L287 HydrophobicContact CD1-CD1 3.68Å; L283-L287 HydrophobicContact CD1-CG 3.97Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; L283-L287 HydrophobicContact CG-CD1 3.71Å; L283-L287 HydrophobicContact CG-CG 4.37Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.23Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 3.34Å; W284-L287 PolarHBondContact O-N 3.06Å; W284-L287 VanDerWaalsContact O-N 3.1Å; L287-H289 PolarHBondContact O-N 3.13Å; L287-Q290 VanDerWaalsContact O-CB 3.31Å; L287-Q290 WeakPolarHBondContact O-CB 3.47Å; L287-Q290 PolarHBondContact O-N 2.93Å; L287-V295 HydrophobicContact CD1-CG1 4.5Å; L287-Q298 HydrophobicContact CD2-CB 3.81Å; L287-V299 HydrophobicContact CD1-CG2 3.52Å; L287-V299 HydrophobicContact CD2-CG2 4.48Å; L287-H344 HydrophobicContact CD1-CB 4.09Å
288	R	97.4	Very high	94.5	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.026	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.2	-167.2	71.5	175.1	-178	-159.3	-8.6	114.3	E136 Q246 E279 W284 Y563	E136-R288 VanDerWaalsContact CD-CZ 3.45Å; E136-R288 IonicContact OE1-CZ 3.39Å; E136-R288 IonicContact OE1-NE 2.83Å; E136-R288 IonicContact OE1-NH1 2.72Å; E136-R288 PolarHBondContact OE1-NH1 3.31Å; E136-R288 IonicContact OE2-CZ 3.39Å; E136-R288 VanDerWaalsContact OE2-CZ 3.29Å; E136-R288 IonicContact OE2-NE 3.21Å; E136-R288 IonicContact OE2-NH1 3.68Å; E136-R288 IonicContact OE2-NH2 2.67Å; E136-R288 PolarHBondContact OE2-NH2 3.49Å; Q246-R288 HydrophobicContact CB-CB 3.97Å; Q246-R288 WeakPolarHBondContact CB-O 3.35Å; Q246-R288 PolarHBondContact N-O 3.36Å; E279-R288 IonicContact OE1-CZ 3.51Å; E279-R288 IonicContact OE1-NH1 3.81Å; E279-R288 PolarHBondContact OE1-NH1 3.17Å; E279-R288 IonicContact OE1-NH2 3.22Å; E279-R288 PolarHBondContact OE1-NH2 3.49Å; W284-R288 HydrophobicContact CD2-CB 3.84Å; W284-R288 HydrophobicContact CE3-CB 4.01Å; W284-R288 HydrophobicContact CG-CB 4.49Å; W284-R288 HydrophobicContact CH2-CB 4.11Å; W284-R288 HydrophobicContact CZ2-CB 3.91Å; W284-R288 HydrophobicContact CZ3-CB 4.14Å; W284-R288 WeakPolarHBondContact O-CB 3.42Å; W284-R288 WeakPolarHBondContact O-CG 3.31Å; W284-R288 PolarHBondContact O-N 3.35Å; R288-Y563 PolarHBondContact NH2-OH 3.38Å
289	H	97.2	Very high	94.5	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.13	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.6	178.6	-57.3	-43.1	0	0	0	114.1	Q246 L287 R560 Y563	Q246-H289 PolarHBondContact OE1-CE1 3.09Å; Q246-H289 VanDerWaalsContact OE1-CE1 3.29Å; L287-H289 PolarHBondContact O-N 3.13Å; H289-R560 HydrophobicContact CB-CG 3.87Å; H289-Y563 AromaticContact CD2-CD2 4Å; H289-Y563 AromaticContact CD2-CG 3.61Å; H289-Y563 AromaticContact CE1-CD2 3.57Å; H289-Y563 AromaticContact CE1-CE2 3.98Å; H289-Y563 AromaticContact CE1-CG 4Å; H289-Y563 AromaticContact NE2-CD1 3.69Å; H289-Y563 AromaticContact NE2-CD2 3.19Å; H289-Y563 WeakPolarHBondContact NE2-CD2 3.27Å; H289-Y563 AromaticContact NE2-CE2 3.62Å; H289-Y563 AromaticContact NE2-CG 3.21Å
290	Q	96.9	Very high	94.4	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	24%	0.242	S	C	.	.	S	Bend	trans	-83.5	150.9	177.7	-60.3	-64.5	-30.2	0	0	111.1	T244 F245 L287 V294 V295	T244-Q290 CarbonylContact C-O 3.44Å; T244-Q290 VanDerWaalsContact CA-O 3.28Å; T244-Q290 WeakPolarHBondContact CA-O 3.29Å; F245-Q290 PolarHBondContact N-O 3.08Å; L287-Q290 VanDerWaalsContact O-CB 3.31Å; L287-Q290 WeakPolarHBondContact O-CB 3.47Å; L287-Q290 PolarHBondContact O-N 2.93Å; Q290-V294 HydrophobicContact CB-CG2 4.2Å; Q290-V295 HydrophobicContact CB-CG2 4.09Å
291	H	97	Very high	94.5	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.116	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-69.8	136.7	173.2	-169.5	-83.7	0	0	0	110.7	L243 A293 V294 Y479 S482	L243-H291 CarbonylContact O-C 3.52Å; L243-H291 WeakPolarHBondContact O-CA 3.5Å; H291-A293 VanDerWaalsContact ND1-CB 3.31Å; H291-A293 WeakPolarHBondContact ND1-CB 3.45Å; H291-A293 PolarHBondContact ND1-N 3.38Å; H291-A293 PolarHBondContact O-N 3.31Å; H291-V294 WeakPolarHBondContact O-CG2 3.48Å; H291-V294 PolarHBondContact O-N 2.7Å; H291-Y479 HydrophobicContact CB-CD2 4.27Å; H291-Y479 HydrophobicContact CB-CE2 3.66Å; H291-Y479 AromaticContact CD2-CD2 3.51Å; H291-Y479 AromaticContact CD2-CE2 3.83Å; H291-Y479 AromaticContact CE1-CD1 3.88Å; H291-Y479 AromaticContact CE1-CD2 4Å; H291-Y479 AromaticContact CE1-CG 3.78Å; H291-Y479 AromaticContact CG-CD2 3.67Å; H291-Y479 AromaticContact CG-CE2 3.49Å; H291-Y479 VanDerWaalsContact CG-CE2 3.49Å; H291-Y479 AromaticContact CG-CZ 3.9Å; H291-Y479 AromaticContact ND1-CD2 3.96Å; H291-Y479 AromaticContact ND1-CE1 3.91Å; H291-Y479 AromaticContact ND1-CE2 3.82Å; H291-Y479 AromaticContact ND1-CZ 3.79Å; H291-Y479 AromaticContact NE2-CD2 3.72Å; H291-Y479 AromaticContact NE2-CG 3.69Å; H291-S482 PolarHBondContact CD2-OG 3.14Å; H291-S482 PolarHBondContact NE2-OG 2.83Å
292	I	96.5	Very high	94.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-34.6	-173.5	-169	64.9	0	0	0	113.3	L243 F245 M248 V294 V295 A348 C351 M352	L243-I292 HydrophobicContact CB-CG2 4.11Å; L243-I292 PolarHBondContact O-N 3.07Å; F245-I292 HydrophobicContact CD2-CD1 3.92Å; F245-I292 HydrophobicContact CE2-CD1 4.29Å; M248-I292 HydrophobicContact CE-CG1 4.27Å; M248-I292 HydrophobicContact CE-CG2 4.3Å; M248-I292 HydrophobicContact SD-CB 3.61Å; M248-I292 HydrophobicContact SD-CD1 4.14Å; M248-I292 HydrophobicContact SD-CG1 3.68Å; M248-I292 HydrophobicContact SD-CG2 3.76Å; I292-V294 PolarHBondContact O-N 2.65Å; I292-V295 HydrophobicContact CD1-CB 4.26Å; I292-V295 HydrophobicContact CD1-CG2 4.39Å; I292-V295 PolarHBondContact O-N 2.9Å; I292-A348 HydrophobicContact CD1-CB 4.23Å; I292-C351 HydrophobicContact CD1-CB 4.12Å; I292-M352 HydrophobicContact CB-SD 4.32Å; I292-M352 HydrophobicContact CD1-CG 4.36Å; I292-M352 HydrophobicContact CG1-CG 3.82Å; I292-M352 HydrophobicContact CG1-SD 3.4Å; I292-M352 WeakPolarHBondContact CG1-SD 3.28Å; I292-M352 HydrophobicContact CG2-SD 3.95Å
293	A	93.8	Very high	94.3	Very high	53 Å²	53	39.2 Å²	39.2	44%	0.438	21%	0.212	S	C	.	.	H	α-helix	trans	-55.3	-22.3	177.4	0	0	0	0	0	114.9	H291 Y479	H291-A293 VanDerWaalsContact ND1-CB 3.31Å; H291-A293 WeakPolarHBondContact ND1-CB 3.45Å; H291-A293 PolarHBondContact ND1-N 3.38Å; H291-A293 PolarHBondContact O-N 3.31Å; A293-Y479 HydrophobicContact CB-CD1 4.49Å; A293-Y479 HydrophobicContact CB-CE1 3.83Å
294	V	95.3	Very high	93.9	Very high	23 Å²	23	40.8 Å²	40.8	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-109.5	-14.3	177.3	-59.3	0	0	0	0	113.4	Q290 H291 I292 S296 Q297 Q298	Q290-V294 HydrophobicContact CB-CG2 4.2Å; H291-V294 WeakPolarHBondContact O-CG2 3.48Å; H291-V294 PolarHBondContact O-N 2.7Å; I292-V294 PolarHBondContact O-N 2.65Å; V294-S296 PolarHBondContact O-N 3.17Å; V294-Q297 PolarHBondContact O-N 3.28Å; V294-Q298 HydrophobicContact CB-CG 4.49Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.44Å; V294-Q298 PolarHBondContact O-N 3.18Å
295	V	96.3	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-52	-171.5	171.8	0	0	0	0	111.5	F245 L287 Q290 I292 Q297 Q298 V299 A348	F245-V295 HydrophobicContact CB-CG2 3.95Å; F245-V295 HydrophobicContact CD1-CG1 3.99Å; F245-V295 HydrophobicContact CD1-CG2 4.37Å; F245-V295 HydrophobicContact CD2-CG1 4.32Å; F245-V295 HydrophobicContact CE1-CG1 3.92Å; F245-V295 HydrophobicContact CE2-CG1 4.26Å; F245-V295 HydrophobicContact CG-CG1 4.18Å; F245-V295 HydrophobicContact CG-CG2 4.07Å; F245-V295 HydrophobicContact CZ-CG1 4.04Å; L287-V295 HydrophobicContact CD1-CG1 4.5Å; Q290-V295 HydrophobicContact CB-CG2 4.09Å; I292-V295 HydrophobicContact CD1-CB 4.26Å; I292-V295 HydrophobicContact CD1-CG2 4.39Å; I292-V295 PolarHBondContact O-N 2.9Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 3.24Å; V295-Q298 WeakPolarHBondContact O-CB 3.46Å; V295-Q298 PolarHBondContact O-N 3.23Å; V295-V299 HydrophobicContact CG1-CG2 4.28Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.23Å; V295-A348 HydrophobicContact CG1-CB 3.97Å
296	S	90	Very high	93.2	Very high	46 Å²	46	46.2 Å²	46.2	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-41.4	-178.9	-50.7	0	0	0	0	112	V294 Q298 V299 T300	V294-S296 PolarHBondContact O-N 3.17Å; S296-Q298 PolarHBondContact O-N 3.32Å; S296-V299 PolarHBondContact O-N 2.93Å; S296-T300 PolarHBondContact O-N 3Å; S296-T300 PolarHBondContact O-OG1 3.41Å; S296-T300 VanDerWaalsContact O-OG1 3.06Å
297	Q	91.7	Very high	92.7	Very high	142 Å²	142	41.7 Å²	41.7	66%	0.664	22%	0.217	S	C	*	.	H	α-helix	trans	-65.7	-38.5	177.2	-64.5	178.9	3.3	0	0	111.8	V294 V295 S301	V294-Q297 PolarHBondContact O-N 3.28Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 3.24Å; Q297-S301 VanDerWaalsContact O-CB 3.29Å; Q297-S301 WeakPolarHBondContact O-CB 2.99Å; Q297-S301 PolarHBondContact O-N 3.16Å
298	Q	94.2	Very high	92.2	Very high	82 Å²	82	47.2 Å²	47.2	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-43.1	176.5	-70.2	-68	-21.6	0	0	111.9	L287 V294 V295 S296 S301 K302	L287-Q298 HydrophobicContact CD2-CB 3.81Å; V294-Q298 HydrophobicContact CB-CG 4.49Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.44Å; V294-Q298 PolarHBondContact O-N 3.18Å; V295-Q298 WeakPolarHBondContact O-CB 3.46Å; V295-Q298 PolarHBondContact O-N 3.23Å; S296-Q298 PolarHBondContact O-N 3.32Å; Q298-S301 PolarHBondContact O-N 3.06Å; Q298-K302 WeakPolarHBondContact O-CB 3.29Å; Q298-K302 WeakPolarHBondContact O-CG 3.36Å; Q298-K302 PolarHBondContact O-N 3.39Å
299	V	92.1	Very high	91.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-50	174.4	175.5	0	0	0	0	110.1	L287 V295 S296 S301 K302 L303 Y341 H344	L287-V299 HydrophobicContact CD1-CG2 3.52Å; L287-V299 HydrophobicContact CD2-CG2 4.48Å; V295-V299 HydrophobicContact CG1-CG2 4.28Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.23Å; S296-V299 PolarHBondContact O-N 2.93Å; V299-S301 PolarHBondContact O-N 3.23Å; V299-K302 PolarHBondContact O-N 3.13Å; V299-L303 WeakPolarHBondContact O-CB 3.49Å; V299-L303 PolarHBondContact O-N 2.87Å; V299-Y341 HydrophobicContact CG1-CD1 4.23Å; V299-H344 HydrophobicContact CG2-CB 3.99Å
300	T	90.1	Very high	91.1	Very high	34 Å²	34	55.1 Å²	55.1	21%	0.209	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-45.4	177.3	-62.1	0	0	0	0	112	S296 L303 K304 T319	S296-T300 PolarHBondContact O-N 3Å; S296-T300 PolarHBondContact O-OG1 3.41Å; S296-T300 VanDerWaalsContact O-OG1 3.06Å; T300-L303 PolarHBondContact O-N 3.05Å; T300-K304 WeakPolarHBondContact O-CG 3.32Å; T300-K304 PolarHBondContact O-N 2.65Å; T300-T319 WeakPolarHBondContact CG2-OG1 3.25Å
301	S	91.7	Very high	90.1	Very high	70 Å²	70	62 Å²	62	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-44.5	179.3	178.6	0	0	0	0	112	Q297 Q298 V299 K304 K305	Q297-S301 VanDerWaalsContact O-CB 3.29Å; Q297-S301 WeakPolarHBondContact O-CB 2.99Å; Q297-S301 PolarHBondContact O-N 3.16Å; Q298-S301 PolarHBondContact O-N 3.06Å; V299-S301 PolarHBondContact O-N 3.23Å; S301-K304 PolarHBondContact O-N 2.92Å; S301-K305 PolarHBondContact O-N 2.84Å
302	K	91.8	Very high	88.5	Confident	55 Å²	55	64.1 Å²	64.1	24%	0.239	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-39	177.8	-74.7	178.8	175.8	-79.5	0	112.4	L283 E286 Q298 V299 K304 K305 F306 Y341	L283-K302 HydrophobicContact CD1-CD 3.49Å; L283-K302 VanDerWaalsContact CD1-CD 3.49Å; E286-K302 VanDerWaalsContact CD-NZ 3.26Å; E286-K302 IonicContact OE1-NZ 3.11Å; E286-K302 PolarHBondContact OE1-NZ 2.84Å; E286-K302 WeakPolarHBondContact OE2-CE 3.41Å; E286-K302 IonicContact OE2-NZ 2.69Å; E286-K302 PolarHBondContact OE2-NZ 2.88Å; Q298-K302 WeakPolarHBondContact O-CB 3.29Å; Q298-K302 WeakPolarHBondContact O-CG 3.36Å; Q298-K302 PolarHBondContact O-N 3.39Å; V299-K302 PolarHBondContact O-N 3.13Å; K302-K304 VanDerWaalsContact C-N 3.33Å; K302-K304 PolarHBondContact O-N 3.48Å; K302-K305 PolarHBondContact O-N 3.23Å; K302-F306 WeakPolarHBondContact O-CB 3.14Å; K302-F306 PolarHBondContact O-N 2.86Å; K302-Y341 HydrophobicContact CB-CE1 3.71Å; K302-Y341 PolarHBondContact O-OH 3.13Å
303	L	89.1	Confident	86.6	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-42.3	174.2	177.6	62.6	0	0	0	111.8	V299 T300 F306 A307 L324 M327 L338 Y341	V299-L303 WeakPolarHBondContact O-CB 3.49Å; V299-L303 PolarHBondContact O-N 2.87Å; T300-L303 PolarHBondContact O-N 3.05Å; L303-F306 PolarHBondContact O-N 3.45Å; L303-A307 PolarHBondContact O-N 3.1Å; L303-L324 HydrophobicContact CD1-CD1 3.78Å; L303-L324 HydrophobicContact CD2-CB 4.31Å; L303-L324 HydrophobicContact CD2-CD1 3.91Å; L303-M327 HydrophobicContact CD1-CE 4.02Å; L303-M327 HydrophobicContact CD1-SD 4.49Å; L303-L338 HydrophobicContact CD1-CD2 3.82Å; L303-Y341 HydrophobicContact CB-CD1 3.88Å; L303-Y341 HydrophobicContact CB-CE1 4.09Å; L303-Y341 HydrophobicContact CB-CG 4.25Å; L303-Y341 HydrophobicContact CD1-CD1 4.4Å; L303-Y341 HydrophobicContact CD1-CD2 3.88Å; L303-Y341 HydrophobicContact CD1-CE2 4.34Å; L303-Y341 HydrophobicContact CD1-CG 3.92Å
304	K	86.7	Confident	84.8	Confident	47 Å²	47	75.3 Å²	75.3	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-49.9	175.1	-73.4	179.1	178.2	-175.2	0	111.6	T300 S301 K302 F306 A307 E308 D317 T319	T300-K304 WeakPolarHBondContact O-CG 3.32Å; T300-K304 PolarHBondContact O-N 2.65Å; S301-K304 PolarHBondContact O-N 2.92Å; K302-K304 VanDerWaalsContact C-N 3.33Å; K302-K304 PolarHBondContact O-N 3.48Å; K304-F306 VanDerWaalsContact C-N 3.26Å; K304-F306 PolarHBondContact O-N 3.26Å; K304-A307 WeakPolarHBondContact O-CB 3.31Å; K304-A307 PolarHBondContact O-N 3.04Å; K304-E308 WeakPolarHBondContact O-CG 3.45Å; K304-E308 PolarHBondContact O-N 3.22Å; K304-D317 WeakPolarHBondContact CE-O 3.46Å; K304-D317 PolarHBondContact NZ-O 3.3Å; K304-T319 VanDerWaalsContact CE-OG1 3.27Å; K304-T319 WeakPolarHBondContact CE-OG1 3.33Å; K304-T319 HydrophobicContact CG-CG2 3.93Å; K304-T319 WeakPolarHBondContact CG-OG1 3.4Å
305	K	89.3	Confident	82.9	Confident	128 Å²	128	76 Å²	76	56%	0.557	38%	0.381	S	S	*	.	H	α-helix	trans	-57.1	-42.2	177.3	-174.1	178.3	177.7	-177.6	0	111.5	S301 K302 A307 E308 D309	S301-K305 PolarHBondContact O-N 2.84Å; K302-K305 PolarHBondContact O-N 3.23Å; K305-A307 PolarHBondContact O-N 2.81Å; K305-E308 PolarHBondContact O-N 3.2Å; K305-D309 WeakPolarHBondContact O-CB 3.34Å; K305-D309 VanDerWaalsContact O-CG 3.22Å; K305-D309 PolarHBondContact O-N 3.31Å
306	F	87.9	Confident	81	Confident	27 Å²	27	78.2 Å²	78.2	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-45.5	174.2	178.6	-94.8	0	0	0	111.9	K302 L303 K304 E308 D309 K310 Y334 E337 L338 Y341	K302-F306 WeakPolarHBondContact O-CB 3.14Å; K302-F306 PolarHBondContact O-N 2.86Å; L303-F306 PolarHBondContact O-N 3.45Å; K304-F306 VanDerWaalsContact C-N 3.26Å; K304-F306 PolarHBondContact O-N 3.26Å; F306-E308 PolarHBondContact O-N 2.87Å; F306-D309 PolarHBondContact O-N 3.46Å; F306-K310 HydrophobicContact CE1-CG 4.29Å; F306-K310 HydrophobicContact CE2-CG 4.39Å; F306-K310 HydrophobicContact CZ-CG 4.18Å; F306-K310 VanDerWaalsContact O-CG 3.3Å; F306-K310 WeakPolarHBondContact O-CG 3.33Å; F306-K310 PolarHBondContact O-N 3.2Å; F306-K310 VanDerWaalsContact O-N 3.08Å; F306-Y334 HydrophobicContact CE1-CG 4.4Å; F306-Y334 AromaticContact CZ-CD1 3.91Å; F306-Y334 HydrophobicContact CZ-CD1 3.91Å; F306-Y334 AromaticContact CZ-CG 3.95Å; F306-Y334 HydrophobicContact CZ-CG 3.95Å; F306-E337 HydrophobicContact CE2-CB 4.06Å; F306-E337 HydrophobicContact CE2-CG 4.21Å; F306-E337 HydrophobicContact CZ-CB 3.9Å; F306-E337 HydrophobicContact CZ-CG 4.33Å; F306-L338 HydrophobicContact CD1-CD2 4.28Å; F306-L338 HydrophobicContact CE1-CD2 4.04Å; F306-L338 HydrophobicContact CE1-CG 4.36Å; F306-Y341 HydrophobicContact CB-CE2 4.22Å; F306-Y341 HydrophobicContact CD1-CE2 4.45Å; F306-Y341 HydrophobicContact CD2-CE2 4.49Å; F306-Y341 HydrophobicContact CG-CE2 4.15Å
307	A	84.9	Confident	79.4	Confident	2 Å²	2	83.2 Å²	83.2	2%	0.017	43%	0.427	C	S	.	.	H	α-helix	trans	-63.2	-41	177.7	0	0	0	0	0	112.7	L303 K304 K305 K310 R311 M312 A315 M327	L303-A307 PolarHBondContact O-N 3.1Å; K304-A307 WeakPolarHBondContact O-CB 3.31Å; K304-A307 PolarHBondContact O-N 3.04Å; K305-A307 PolarHBondContact O-N 2.81Å; A307-K310 CarbonylContact O-C 3.57Å; A307-K310 PolarHBondContact O-N 2.74Å; A307-R311 PolarHBondContact O-N 2.85Å; A307-M312 HydrophobicContact CB-CB 4.37Å; A307-M312 WeakPolarHBondContact O-CB 3.12Å; A307-M312 PolarHBondContact O-N 3.5Å; A307-A315 HydrophobicContact CB-CB 4.3Å; A307-M327 HydrophobicContact CB-CE 3.79Å
308	E	85.5	Confident	77.8	Confident	119 Å²	119	85 Å²	85	56%	0.556	43%	0.433	S	S	*	.	H	α-helix	trans	-65.6	-46.9	176.3	-71.6	170	-170.1	0	0	111.9	K304 K305 F306 K310 R311	K304-E308 WeakPolarHBondContact O-CG 3.45Å; K304-E308 PolarHBondContact O-N 3.22Å; K305-E308 PolarHBondContact O-N 3.2Å; F306-E308 PolarHBondContact O-N 2.87Å; E308-K310 PolarHBondContact O-N 2.75Å; E308-R311 WeakPolarHBondContact O-CA 3.4Å; E308-R311 PolarHBondContact O-N 2.8Å
309	D	87.2	Confident	76.4	Confident	110 Å²	110	81.7 Å²	81.7	59%	0.588	42%	0.418	S	S	*	.	H	α-helix	trans	-60	-32.1	177.2	-75.3	-18.5	0	0	0	111.4	K305 F306 R311	K305-D309 WeakPolarHBondContact O-CB 3.34Å; K305-D309 VanDerWaalsContact O-CG 3.22Å; K305-D309 PolarHBondContact O-N 3.31Å; F306-D309 PolarHBondContact O-N 3.46Å; D309-R311 VanDerWaalsContact C-N 3.26Å; D309-R311 PolarHBondContact O-N 2.87Å
310	K	85.4	Confident	75.3	Confident	90 Å²	90	84.5 Å²	84.5	39%	0.391	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	12.7	173.4	-57.1	-44.6	-176.7	178.9	0	113.7	F306 A307 E308 Y334	F306-K310 HydrophobicContact CE1-CG 4.29Å; F306-K310 HydrophobicContact CE2-CG 4.39Å; F306-K310 HydrophobicContact CZ-CG 4.18Å; F306-K310 VanDerWaalsContact O-CG 3.3Å; F306-K310 WeakPolarHBondContact O-CG 3.33Å; F306-K310 PolarHBondContact O-N 3.2Å; F306-K310 VanDerWaalsContact O-N 3.08Å; A307-K310 CarbonylContact O-C 3.57Å; A307-K310 PolarHBondContact O-N 2.74Å; E308-K310 PolarHBondContact O-N 2.75Å; K310-Y334 HydrophobicContact CB-CE2 4.38Å; K310-Y334 HydrophobicContact CD-CE1 4.19Å; K310-Y334 HydrophobicContact CD-CE2 4.35Å; K310-Y334 HydrophobicContact CG-CE2 4.08Å
311	R	75.5	Confident	74.2	Confident	231 Å²	231	84.2 Å²	84.2	87%	0.872	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	48.1	175.8	-59.1	-179.1	-179.5	-179.6	-0.6	114.2	A307 E308 D309	A307-R311 PolarHBondContact O-N 2.85Å; E308-R311 WeakPolarHBondContact O-CA 3.4Å; E308-R311 PolarHBondContact O-N 2.8Å; D309-R311 VanDerWaalsContact C-N 3.26Å; D309-R311 PolarHBondContact O-N 2.87Å
312	M	63.9	Low	73.3	Confident	70 Å²	70	90.5 Å²	90.5	35%	0.345	45%	0.445	S	S	.	.			trans	-94	129.5	171.4	-63.8	-159.2	130.1	0	0	112.1	A307 M327 M331	A307-M312 HydrophobicContact CB-CB 4.37Å; A307-M312 WeakPolarHBondContact O-CB 3.12Å; A307-M312 PolarHBondContact O-N 3.5Å; M312-M327 HydrophobicContact SD-CE 4.48Å; M312-M331 HydrophobicContact CE-CE 3.45Å; M312-M331 VanDerWaalsContact CE-CE 3.45Å; M312-M331 HydrophobicContact CE-CG 3.59Å; M312-M331 HydrophobicContact CE-SD 3.16Å; M312-M331 WeakPolarHBondContact CE-SD 3.5Å; M312-M331 HydrophobicContact SD-CE 3.31Å; M312-M331 WeakPolarHBondContact SD-CE 3.35Å; M312-M331 HydrophobicContact SD-SD 3.53Å
313	V	56.5	Low	72.4	Confident	140 Å²	140	90.3 Å²	90.3	85%	0.848	45%	0.446	S	S	*	.	S	Bend	trans	-89.6	-5.7	-174.2	-175.7	0	0	0	0	113.3
314	N	56.7	Low	71.6	Confident	154 Å²	154	90.2 Å²	90.2	82%	0.824	45%	0.446	S	S	*	.			trans	-122.2	27.2	-170.3	-68.6	-4.5	0	0	0	115.4	G316	N314-G316 PolarHBondContact O-N 3.14Å; N314-G316 VanDerWaalsContact O-N 3.14Å
315	A	55.3	Low	70.9	Confident	37 Å²	37	88.9 Å²	88.9	31%	0.306	44%	0.443	S	S	.	.			trans	-78.9	92.2	167.3	0	0	0	0	0	108.9	A307 T319	A307-A315 HydrophobicContact CB-CB 4.3Å; A315-T319 HydrophobicContact CB-CG2 4.41Å
316	G	55.8	Low	70.2	Confident	47 Å²	47	87.8 Å²	87.8	49%	0.485	44%	0.439	S	S	.	.			trans	-63	171	174.3	0	0	0	0	0	112.9	N314 K318	N314-G316 PolarHBondContact O-N 3.14Å; N314-G316 VanDerWaalsContact O-N 3.14Å; G316-K318 PolarHBondContact O-N 3.09Å
317	D	57.3	Low	69.5	Low	151 Å²	151	87.6 Å²	87.6	81%	0.807	44%	0.439	S	S	*	.	S	Bend	trans	-60.4	-17.8	-174.7	-78.2	-28.1	0	0	0	115.2	K304	K304-D317 WeakPolarHBondContact CE-O 3.46Å; K304-D317 PolarHBondContact NZ-O 3.3Å
318	K	56.9	Low	68.9	Low	181 Å²	181	89.2 Å²	89.2	79%	0.787	45%	0.447	S	S	*	.			trans	-123.7	89.1	177.4	-66.5	-174.9	-179.5	-178.2	0	109.8	G316 T320 D323	G316-K318 PolarHBondContact O-N 3.09Å; K318-T320 PolarHBondContact O-N 3.08Å; K318-D323 VanDerWaalsContact O-OD2 3.12Å
319	T	65.3	Low	68.5	Low	12 Å²	12	91.4 Å²	91.4	7%	0.074	46%	0.455	C	S	.	.			trans	-77.8	110.6	168.3	36.9	0	0	0	0	109.3	T300 K304 A315	T300-T319 WeakPolarHBondContact CG2-OG1 3.25Å; K304-T319 VanDerWaalsContact CE-OG1 3.27Å; K304-T319 WeakPolarHBondContact CE-OG1 3.33Å; K304-T319 HydrophobicContact CG-CG2 3.93Å; K304-T319 WeakPolarHBondContact CG-OG1 3.4Å; A315-T319 HydrophobicContact CB-CG2 4.41Å
320	T	69.3	Low	68.1	Low	62 Å²	62	93.7 Å²	93.7	38%	0.38	46%	0.46	S	S	.	.			trans	-100.1	168.5	178.7	64.2	0	0	0	0	111.2	K318 R322 D323 L324	K318-T320 PolarHBondContact O-N 3.08Å; T320-R322 PolarHBondContact O-N 3.21Å; T320-R322 PolarHBondContact OG1-N 2.72Å; T320-D323 PolarHBondContact N-OD2 2.6Å; T320-D323 WeakPolarHBondContact O-CB 3.44Å; T320-D323 PolarHBondContact O-N 2.67Å; T320-D323 PolarHBondContact OG1-N 2.83Å; T320-D323 PolarHBondContact OG1-OD2 2.74Å; T320-L324 PolarHBondContact O-N 3.04Å; T320-L324 VanDerWaalsContact O-N 3.08Å
321	M	67.2	Low	67.7	Low	28 Å²	28	89.9 Å²	89.9	14%	0.138	44%	0.443	C	S	.	.	H	α-helix	trans	-53.8	-35.6	170.3	173.6	169.9	-91.6	0	0	112.5	D323 L324 S325 F345 H346	M321-D323 VanDerWaalsContact C-N 3.33Å; M321-D323 PolarHBondContact O-N 2.96Å; M321-L324 WeakPolarHBondContact O-CB 3.43Å; M321-L324 PolarHBondContact O-N 2.89Å; M321-S325 PolarHBondContact O-N 3.09Å; M321-S325 PolarHBondContact O-OG 3.39Å; M321-S325 VanDerWaalsContact O-OG 3.06Å; M321-F345 HydrophobicContact CB-CD1 4.13Å; M321-F345 HydrophobicContact CB-CE1 3.91Å; M321-F345 HydrophobicContact CB-CZ 4.29Å; M321-F345 HydrophobicContact CE-CB 4.18Å; M321-F345 HydrophobicContact CE-CD1 3.41Å; M321-F345 VanDerWaalsContact CE-CD1 3.41Å; M321-F345 HydrophobicContact CE-CE1 4.16Å; M321-F345 HydrophobicContact CE-CG 4.1Å; M321-F345 HydrophobicContact SD-CD1 4.28Å; M321-F345 HydrophobicContact SD-CE1 4.47Å; M321-H346 WeakPolarHBondContact CE-CD2 3.02Å; M321-H346 WeakPolarHBondContact CE-CE1 3.19Å; M321-H346 WeakPolarHBondContact CE-ND1 3.27Å; M321-H346 WeakPolarHBondContact CE-NE2 3.44Å
322	R	71.8	Confident	68	Low	202 Å²	202	83.1 Å²	83.1	76%	0.762	43%	0.429	S	S	*	.	H	α-helix	trans	-63.8	-39	176.5	-66.7	-178.5	-178.1	175	0.7	112	T320 L324 S325 Q326	T320-R322 PolarHBondContact O-N 3.21Å; T320-R322 PolarHBondContact OG1-N 2.72Å; R322-L324 VanDerWaalsContact C-N 3.3Å; R322-S325 PolarHBondContact O-N 3.29Å; R322-Q326 WeakPolarHBondContact O-CG 3.41Å; R322-Q326 PolarHBondContact O-N 3.01Å; R322-Q326 VanDerWaalsContact O-N 3.1Å
323	D	72.9	Confident	69.1	Low	51 Å²	51	86.8 Å²	86.8	27%	0.273	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-37.6	176	-56.3	-49.5	0	0	0	110.6	K318 T320 M321 Q326 M327	K318-D323 VanDerWaalsContact O-OD2 3.12Å; T320-D323 PolarHBondContact N-OD2 2.6Å; T320-D323 WeakPolarHBondContact O-CB 3.44Å; T320-D323 PolarHBondContact O-N 2.67Å; T320-D323 PolarHBondContact OG1-N 2.83Å; T320-D323 PolarHBondContact OG1-OD2 2.74Å; M321-D323 VanDerWaalsContact C-N 3.33Å; M321-D323 PolarHBondContact O-N 2.96Å; D323-Q326 PolarHBondContact O-N 3.19Å; D323-M327 WeakPolarHBondContact O-CB 3.42Å; D323-M327 VanDerWaalsContact O-CG 3.28Å; D323-M327 WeakPolarHBondContact O-CG 3.36Å; D323-M327 PolarHBondContact O-N 3.44Å
324	L	71.7	Confident	70.6	Confident	5 Å²	5	82.9 Å²	82.9	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175	-176.5	60.7	0	0	0	112.2	L303 T320 M321 R322 Q326 M327 L328 L338 S342	L303-L324 HydrophobicContact CD1-CD1 3.78Å; L303-L324 HydrophobicContact CD2-CB 4.31Å; L303-L324 HydrophobicContact CD2-CD1 3.91Å; T320-L324 PolarHBondContact O-N 3.04Å; T320-L324 VanDerWaalsContact O-N 3.08Å; M321-L324 WeakPolarHBondContact O-CB 3.43Å; M321-L324 PolarHBondContact O-N 2.89Å; R322-L324 VanDerWaalsContact C-N 3.3Å; L324-Q326 VanDerWaalsContact C-N 3.29Å; L324-Q326 PolarHBondContact O-N 3.27Å; L324-M327 WeakPolarHBondContact O-CB 3.49Å; L324-M327 PolarHBondContact O-N 3.05Å; L324-L328 WeakPolarHBondContact O-CG 3.27Å; L324-L328 PolarHBondContact O-N 3.28Å; L324-L338 HydrophobicContact CD1-CB 4.16Å; L324-L338 HydrophobicContact CD1-CD2 3.78Å; L324-S342 VanDerWaalsContact CD2-N 3.35Å
325	S	72.2	Confident	71.9	Confident	20 Å²	20	81.2 Å²	81.2	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-37.9	174.2	-46.4	0	0	0	0	111.8	S266 M321 R322 K329	S266-S325 VanDerWaalsContact CB-OG 3.31Å; S266-S325 WeakPolarHBondContact CB-OG 3.44Å; S266-S325 PolarHBondContact OG-OG 3.22Å; M321-S325 PolarHBondContact O-N 3.09Å; M321-S325 PolarHBondContact O-OG 3.39Å; M321-S325 VanDerWaalsContact O-OG 3.06Å; R322-S325 PolarHBondContact O-N 3.29Å; S325-K329 PolarHBondContact O-N 3.39Å
326	Q	75.4	Confident	73.4	Confident	104 Å²	104	87.4 Å²	87.4	49%	0.486	42%	0.423	S	S	.	.	H	α-helix	trans	-68.9	-39.7	174.5	-68.8	-179	23.3	0	0	112.3	R322 D323 L324 K329 K330	R322-Q326 WeakPolarHBondContact O-CG 3.41Å; R322-Q326 PolarHBondContact O-N 3.01Å; R322-Q326 VanDerWaalsContact O-N 3.1Å; D323-Q326 PolarHBondContact O-N 3.19Å; L324-Q326 VanDerWaalsContact C-N 3.29Å; L324-Q326 PolarHBondContact O-N 3.27Å; Q326-K329 PolarHBondContact O-N 3.17Å; Q326-K330 WeakPolarHBondContact O-CG 3.33Å; Q326-K330 PolarHBondContact O-N 2.83Å; Q326-K330 VanDerWaalsContact O-N 3.08Å
327	M	72	Confident	74.8	Confident	23 Å²	23	88.9 Å²	88.9	11%	0.113	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-43.1	174.9	-75.9	173.4	72.1	0	0	111.4	L303 A307 M312 D323 L324 K329 K330 M331 L338	L303-M327 HydrophobicContact CD1-CE 4.02Å; L303-M327 HydrophobicContact CD1-SD 4.49Å; A307-M327 HydrophobicContact CB-CE 3.79Å; M312-M327 HydrophobicContact SD-CE 4.48Å; D323-M327 WeakPolarHBondContact O-CB 3.42Å; D323-M327 VanDerWaalsContact O-CG 3.28Å; D323-M327 WeakPolarHBondContact O-CG 3.36Å; D323-M327 PolarHBondContact O-N 3.44Å; L324-M327 WeakPolarHBondContact O-CB 3.49Å; L324-M327 PolarHBondContact O-N 3.05Å; M327-K329 VanDerWaalsContact C-N 3.3Å; M327-K329 PolarHBondContact O-N 3.42Å; M327-K330 PolarHBondContact O-N 3.48Å; M327-K330 VanDerWaalsContact O-N 3.13Å; M327-M331 HydrophobicContact CB-CE 3.68Å; M327-M331 HydrophobicContact CE-CE 3.6Å; M327-M331 HydrophobicContact CG-CE 3.93Å; M327-M331 WeakPolarHBondContact O-CB 3.47Å; M327-M331 PolarHBondContact O-N 3.13Å; M327-L338 HydrophobicContact CB-CD1 4.29Å; M327-L338 HydrophobicContact CB-CD2 4.43Å; M327-L338 HydrophobicContact CE-CD2 3.94Å
328	L	73.1	Confident	76.2	Confident	37 Å²	37	81.7 Å²	81.7	19%	0.194	38%	0.379	C	S	.	.	H	α-helix	trans	-56.2	-42.3	174.8	-82.6	166.1	0	0	0	112	L324 Q335 L338	L324-L328 WeakPolarHBondContact O-CG 3.27Å; L324-L328 PolarHBondContact O-N 3.28Å; L328-Q335 HydrophobicContact CD2-CG 4.07Å; L328-L338 HydrophobicContact CD2-CB 3.39Å; L328-L338 HydrophobicContact CD2-CD1 4.26Å; L328-L338 HydrophobicContact CD2-CG 4.49Å; L328-L338 HydrophobicContact CG-CB 3.87Å; L328-L338 HydrophobicContact CG-CD1 4.45Å
329	K	76.6	Confident	77.6	Confident	164 Å²	164	74.1 Å²	74.1	71%	0.713	35%	0.349	S	S	*	.	H	α-helix	trans	-68.4	-36.3	176.4	-70.1	179.8	-177.3	179.1	0	112.9	S325 Q326 M327	S325-K329 PolarHBondContact O-N 3.39Å; Q326-K329 PolarHBondContact O-N 3.17Å; M327-K329 VanDerWaalsContact C-N 3.3Å; M327-K329 PolarHBondContact O-N 3.42Å
330	K	79.2	Confident	78.8	Confident	159 Å²	159	75.7 Å²	75.7	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-81.6	-18.3	-178.1	-71.9	179.4	179.8	175.7	0	113.9	Q326 M327	Q326-K330 WeakPolarHBondContact O-CG 3.33Å; Q326-K330 PolarHBondContact O-N 2.83Å; Q326-K330 VanDerWaalsContact O-N 3.08Å; M327-K330 PolarHBondContact O-N 3.48Å; M327-K330 VanDerWaalsContact O-N 3.13Å
331	M	77.8	Confident	79.8	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.044	34%	0.344	C	S	.	.			trans	-134	68.5	-173.5	-68.7	-175.8	-82.7	0	0	112.6	M312 M327 Q333 Y334 Q335 L338	M312-M331 HydrophobicContact CE-CE 3.45Å; M312-M331 VanDerWaalsContact CE-CE 3.45Å; M312-M331 HydrophobicContact CE-CG 3.59Å; M312-M331 HydrophobicContact CE-SD 3.16Å; M312-M331 WeakPolarHBondContact CE-SD 3.5Å; M312-M331 HydrophobicContact SD-CE 3.31Å; M312-M331 WeakPolarHBondContact SD-CE 3.35Å; M312-M331 HydrophobicContact SD-SD 3.53Å; M327-M331 HydrophobicContact CB-CE 3.68Å; M327-M331 HydrophobicContact CE-CE 3.6Å; M327-M331 HydrophobicContact CG-CE 3.93Å; M327-M331 WeakPolarHBondContact O-CB 3.47Å; M327-M331 PolarHBondContact O-N 3.13Å; M331-Q333 PolarHBondContact O-N 2.94Å; M331-Y334 HydrophobicContact CB-CD2 4.26Å; M331-Y334 HydrophobicContact CG-CD2 4.44Å; M331-Y334 PolarHBondContact O-N 3.29Å; M331-Y334 VanDerWaalsContact O-N 3.07Å; M331-Y334 HydrophobicContact SD-CD2 3.9Å; M331-Q335 PolarHBondContact O-N 2.75Å; M331-L338 HydrophobicContact CB-CD1 4.05Å; M331-L338 HydrophobicContact CE-CD1 3.91Å
332	P	81.4	Confident	80.8	Confident	89 Å²	89	73 Å²	73	58%	0.578	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59.2	-30.7	178.1	23.9	-33.4	0	0	0	112.7	Y334 Q335	P332-Y334 VanDerWaalsContact C-N 3.26Å; P332-Y334 PolarHBondContact O-N 2.57Å; P332-Q335 WeakPolarHBondContact O-CB 3.49Å; P332-Q335 PolarHBondContact O-N 3.47Å
333	Q	86.6	Confident	81.8	Confident	147 Å²	147	63.4 Å²	63.4	69%	0.687	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.1	177.6	69.4	-144.9	43.5	0	0	114.8	M331	M331-Q333 PolarHBondContact O-N 2.94Å
334	Y	87.3	Confident	82.8	Confident	58 Å²	58	61 Å²	61	23%	0.227	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-111.2	19.9	177.4	-63	-60.7	0	0	0	111.7	F306 K310 M331 P332 K336 E337 L338	F306-Y334 HydrophobicContact CE1-CG 4.4Å; F306-Y334 AromaticContact CZ-CD1 3.91Å; F306-Y334 HydrophobicContact CZ-CD1 3.91Å; F306-Y334 AromaticContact CZ-CG 3.95Å; F306-Y334 HydrophobicContact CZ-CG 3.95Å; K310-Y334 HydrophobicContact CB-CE2 4.38Å; K310-Y334 HydrophobicContact CD-CE1 4.19Å; K310-Y334 HydrophobicContact CD-CE2 4.35Å; K310-Y334 HydrophobicContact CG-CE2 4.08Å; M331-Y334 HydrophobicContact CB-CD2 4.26Å; M331-Y334 HydrophobicContact CG-CD2 4.44Å; M331-Y334 PolarHBondContact O-N 3.29Å; M331-Y334 VanDerWaalsContact O-N 3.07Å; M331-Y334 HydrophobicContact SD-CD2 3.9Å; P332-Y334 VanDerWaalsContact C-N 3.26Å; P332-Y334 PolarHBondContact O-N 2.57Å; Y334-K336 PolarHBondContact O-N 3.07Å; Y334-E337 WeakPolarHBondContact CA-OE2 3.2Å; Y334-E337 PolarHBondContact O-N 2.86Å; Y334-L338 WeakPolarHBondContact O-CB 3.2Å; Y334-L338 VanDerWaalsContact O-CG 3.31Å; Y334-L338 WeakPolarHBondContact O-CG 3.17Å; Y334-L338 PolarHBondContact O-N 3.16Å
335	Q	84.9	Confident	83.7	Confident	120 Å²	120	63.1 Å²	63.1	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-59.5	-35	-175.5	-176.6	-179.2	13.2	0	0	112.2	L328 M331 P332 S339	L328-Q335 HydrophobicContact CD2-CG 4.07Å; M331-Q335 PolarHBondContact O-N 2.75Å; P332-Q335 WeakPolarHBondContact O-CB 3.49Å; P332-Q335 PolarHBondContact O-N 3.47Å; Q335-S339 WeakPolarHBondContact O-CB 3.39Å; Q335-S339 PolarHBondContact O-N 2.91Å
336	K	85.8	Confident	84.7	Confident	166 Å²	166	62.7 Å²	62.7	72%	0.722	29%	0.294	S	S	*	.	H	α-helix	trans	-63.9	-52.5	179.2	-174.4	-178.4	176.6	-173.4	0	110.9	Y334 S339 M340	Y334-K336 PolarHBondContact O-N 3.07Å; K336-S339 WeakPolarHBondContact O-CB 3.37Å; K336-S339 PolarHBondContact O-N 2.99Å; K336-M340 WeakPolarHBondContact O-CG 3.19Å; K336-M340 PolarHBondContact O-N 2.94Å
337	E	87.1	Confident	85.7	Confident	78 Å²	78	57.7 Å²	57.7	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-46.9	180	-63.4	90.8	153.4	0	0	111.5	F306 Y334 S339 M340 Y341	F306-E337 HydrophobicContact CE2-CB 4.06Å; F306-E337 HydrophobicContact CE2-CG 4.21Å; F306-E337 HydrophobicContact CZ-CB 3.9Å; F306-E337 HydrophobicContact CZ-CG 4.33Å; Y334-E337 WeakPolarHBondContact CA-OE2 3.2Å; Y334-E337 PolarHBondContact O-N 2.86Å; E337-S339 VanDerWaalsContact C-N 3.26Å; E337-S339 PolarHBondContact O-N 2.83Å; E337-M340 WeakPolarHBondContact O-CB 2.81Å; E337-M340 PolarHBondContact O-N 3.27Å; E337-Y341 WeakPolarHBondContact O-CD2 3.24Å; E337-Y341 PolarHBondContact O-N 3.29Å
338	L	86.4	Confident	86.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-34.5	177.1	-67.5	172.4	0	0	0	112.3	L303 F306 L324 M327 L328 M331 Y334 M340 Y341 S342	L303-L338 HydrophobicContact CD1-CD2 3.82Å; F306-L338 HydrophobicContact CD1-CD2 4.28Å; F306-L338 HydrophobicContact CE1-CD2 4.04Å; F306-L338 HydrophobicContact CE1-CG 4.36Å; L324-L338 HydrophobicContact CD1-CB 4.16Å; L324-L338 HydrophobicContact CD1-CD2 3.78Å; M327-L338 HydrophobicContact CB-CD1 4.29Å; M327-L338 HydrophobicContact CB-CD2 4.43Å; M327-L338 HydrophobicContact CE-CD2 3.94Å; L328-L338 HydrophobicContact CD2-CB 3.39Å; L328-L338 HydrophobicContact CD2-CD1 4.26Å; L328-L338 HydrophobicContact CD2-CG 4.49Å; L328-L338 HydrophobicContact CG-CB 3.87Å; L328-L338 HydrophobicContact CG-CD1 4.45Å; M331-L338 HydrophobicContact CB-CD1 4.05Å; M331-L338 HydrophobicContact CE-CD1 3.91Å; Y334-L338 WeakPolarHBondContact O-CB 3.2Å; Y334-L338 VanDerWaalsContact O-CG 3.31Å; Y334-L338 WeakPolarHBondContact O-CG 3.17Å; Y334-L338 PolarHBondContact O-N 3.16Å; L338-M340 VanDerWaalsContact C-N 3.32Å; L338-M340 PolarHBondContact O-N 2.89Å; L338-Y341 PolarHBondContact O-N 3.06Å; L338-S342 PolarHBondContact O-N 3.01Å; L338-S342 VanDerWaalsContact O-N 3.09Å
339	S	85.8	Confident	87.8	Confident	22 Å²	22	59.5 Å²	59.5	15%	0.154	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-39	173	168.4	0	0	0	0	111.5	K273 Q335 K336 E337 S342 T343	K273-S339 PolarHBondContact NZ-OG 3.46Å; Q335-S339 WeakPolarHBondContact O-CB 3.39Å; Q335-S339 PolarHBondContact O-N 2.91Å; K336-S339 WeakPolarHBondContact O-CB 3.37Å; K336-S339 PolarHBondContact O-N 2.99Å; E337-S339 VanDerWaalsContact C-N 3.26Å; E337-S339 PolarHBondContact O-N 2.83Å; S339-S342 WeakPolarHBondContact O-CB 3.31Å; S339-S342 PolarHBondContact O-N 2.85Å; S339-T343 PolarHBondContact O-N 3.49Å; S339-T343 PolarHBondContact O-OG1 3.22Å
340	M	89.8	Confident	88.8	Confident	46 Å²	46	54.1 Å²	54.1	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-43.9	176.5	-59.1	-64.8	86.2	0	0	111.6	D281 K336 E337 L338 S342 T343 H344	D281-M340 HydrophobicContact CB-SD 4.42Å; K336-M340 WeakPolarHBondContact O-CG 3.19Å; K336-M340 PolarHBondContact O-N 2.94Å; E337-M340 WeakPolarHBondContact O-CB 2.81Å; E337-M340 PolarHBondContact O-N 3.27Å; L338-M340 VanDerWaalsContact C-N 3.32Å; L338-M340 PolarHBondContact O-N 2.89Å; M340-S342 VanDerWaalsContact C-N 3.25Å; M340-S342 PolarHBondContact O-N 3.06Å; M340-T343 WeakPolarHBondContact O-CB 3.46Å; M340-T343 PolarHBondContact O-N 3.19Å; M340-H344 PolarHBondContact O-CD2 2.95Å; M340-H344 PolarHBondContact O-N 3.39Å
341	Y	91.6	Very high	89.6	Confident	31 Å²	31	46.5 Å²	46.5	12%	0.122	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-39.8	173.5	-73.1	-73.3	0	0	0	112.4	L283 V299 K302 L303 F306 E337 L338 H344 F345	L283-Y341 HydrophobicContact CD2-CD1 3.49Å; L283-Y341 VanDerWaalsContact CD2-CD1 3.49Å; L283-Y341 HydrophobicContact CD2-CE1 3.6Å; L283-Y341 HydrophobicContact CD2-CG 4.12Å; V299-Y341 HydrophobicContact CG1-CD1 4.23Å; K302-Y341 HydrophobicContact CB-CE1 3.71Å; K302-Y341 PolarHBondContact O-OH 3.13Å; L303-Y341 HydrophobicContact CB-CD1 3.88Å; L303-Y341 HydrophobicContact CB-CE1 4.09Å; L303-Y341 HydrophobicContact CB-CG 4.25Å; L303-Y341 HydrophobicContact CD1-CD1 4.4Å; L303-Y341 HydrophobicContact CD1-CD2 3.88Å; L303-Y341 HydrophobicContact CD1-CE2 4.34Å; L303-Y341 HydrophobicContact CD1-CG 3.92Å; F306-Y341 HydrophobicContact CB-CE2 4.22Å; F306-Y341 HydrophobicContact CD1-CE2 4.45Å; F306-Y341 HydrophobicContact CD2-CE2 4.49Å; F306-Y341 HydrophobicContact CG-CE2 4.15Å; E337-Y341 WeakPolarHBondContact O-CD2 3.24Å; E337-Y341 PolarHBondContact O-N 3.29Å; L338-Y341 PolarHBondContact O-N 3.06Å; Y341-H344 PolarHBondContact O-N 3.3Å; Y341-F345 PolarHBondContact O-N 3.24Å
342	S	88.5	Confident	90.5	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-43.7	178.7	168.8	0	0	0	0	110.9	L324 L338 S339 M340 F345 H346	L324-S342 VanDerWaalsContact CD2-N 3.35Å; L338-S342 PolarHBondContact O-N 3.01Å; L338-S342 VanDerWaalsContact O-N 3.09Å; S339-S342 WeakPolarHBondContact O-CB 3.31Å; S339-S342 PolarHBondContact O-N 2.85Å; M340-S342 VanDerWaalsContact C-N 3.25Å; M340-S342 PolarHBondContact O-N 3.06Å; S342-F345 PolarHBondContact O-N 2.77Å; S342-H346 PolarHBondContact O-CD2 3.03Å; S342-H346 VanDerWaalsContact O-CD2 3.23Å; S342-H346 PolarHBondContact O-N 3.49Å
343	T	91.5	Very high	91.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-50.7	175.8	-61.7	0	0	0	0	112.2	Y260 Y262 I275 S339 M340 F345 H346 L347	Y260-T343 HydrophobicContact CD1-CG2 4.22Å; Y260-T343 HydrophobicContact CE1-CG2 4.37Å; Y262-T343 HydrophobicContact CE1-CG2 4.42Å; Y262-T343 PolarHBondContact OH-OG1 2.99Å; I275-T343 HydrophobicContact CB-CG2 4.45Å; I275-T343 HydrophobicContact CD1-CG2 3.49Å; I275-T343 VanDerWaalsContact CD1-CG2 3.49Å; I275-T343 WeakPolarHBondContact CD1-OG1 3.42Å; I275-T343 HydrophobicContact CG2-CG2 4.22Å; S339-T343 PolarHBondContact O-N 3.49Å; S339-T343 PolarHBondContact O-OG1 3.22Å; M340-T343 WeakPolarHBondContact O-CB 3.46Å; M340-T343 PolarHBondContact O-N 3.19Å; T343-F345 VanDerWaalsContact C-N 3.27Å; T343-F345 PolarHBondContact O-N 3.27Å; T343-H346 PolarHBondContact O-N 3.06Å; T343-L347 WeakPolarHBondContact O-CB 3.18Å; T343-L347 PolarHBondContact O-N 3.09Å
344	H	94	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-27.3	-179.2	-71.1	-59.1	0	0	0	113	F245 D281 L283 W284 L287 V299 M340 Y341 A348	F245-H344 AromaticContact CE1-ND1 3.76Å; D281-H344 IonicContact OD1-NE2 2.74Å; D281-H344 PolarHBondContact OD1-NE2 3.33Å; D281-H344 IonicContact OD2-CD2 3.69Å; D281-H344 IonicContact OD2-CE1 3.84Å; D281-H344 IonicContact OD2-NE2 3.76Å; D281-H344 PolarHBondContact OD2-NE2 2.89Å; L283-H344 HydrophobicContact CD2-CB 4.46Å; W284-H344 AromaticContact CE3-CE1 3.68Å; W284-H344 AromaticContact CE3-ND1 3.98Å; W284-H344 PolarHBondContact N-NE2 3.32Å; L287-H344 HydrophobicContact CD1-CB 4.09Å; V299-H344 HydrophobicContact CG2-CB 3.99Å; M340-H344 PolarHBondContact O-CD2 2.95Å; M340-H344 PolarHBondContact O-N 3.39Å; Y341-H344 PolarHBondContact O-N 3.3Å; H344-A348 VanDerWaalsContact O-CB 3.28Å; H344-A348 WeakPolarHBondContact O-CB 3.27Å; H344-A348 PolarHBondContact O-N 3.19Å; H344-A348 VanDerWaalsContact O-N 3.09Å
345	F	91.5	Very high	92.1	Very high	50 Å²	50	42.7 Å²	42.7	22%	0.219	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-51.7	171.5	-164.6	-80	0	0	0	111.3	M321 Y341 S342 T343 L347 A348 E349	M321-F345 HydrophobicContact CB-CD1 4.13Å; M321-F345 HydrophobicContact CB-CE1 3.91Å; M321-F345 HydrophobicContact CB-CZ 4.29Å; M321-F345 HydrophobicContact CE-CB 4.18Å; M321-F345 HydrophobicContact CE-CD1 3.41Å; M321-F345 VanDerWaalsContact CE-CD1 3.41Å; M321-F345 HydrophobicContact CE-CE1 4.16Å; M321-F345 HydrophobicContact CE-CG 4.1Å; M321-F345 HydrophobicContact SD-CD1 4.28Å; M321-F345 HydrophobicContact SD-CE1 4.47Å; Y341-F345 PolarHBondContact O-N 3.24Å; S342-F345 PolarHBondContact O-N 2.77Å; T343-F345 VanDerWaalsContact C-N 3.27Å; T343-F345 PolarHBondContact O-N 3.27Å; F345-L347 PolarHBondContact O-N 3.06Å; F345-A348 PolarHBondContact O-N 3.08Å; F345-E349 WeakPolarHBondContact O-CB 3.36Å; F345-E349 PolarHBondContact O-N 3.42Å
346	H	92.6	Very high	92.6	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.046	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177	-78.5	-71	0	0	0	111.7	Y260 Y262 M321 S342 T343 A348 E349 D350	Y260-H346 WeakPolarHBondContact OH-CB 3.42Å; Y260-H346 PolarHBondContact OH-O 3.19Å; Y262-H346 HydrophobicContact CD2-CB 3.85Å; Y262-H346 AromaticContact CD2-CD2 3.37Å; Y262-H346 WeakPolarHBondContact CD2-CD2 3.38Å; Y262-H346 AromaticContact CD2-CG 3.49Å; Y262-H346 VanDerWaalsContact CD2-CG 3.49Å; Y262-H346 AromaticContact CD2-ND1 3.91Å; Y262-H346 AromaticContact CD2-NE2 3.72Å; Y262-H346 HydrophobicContact CE2-CB 4.17Å; Y262-H346 AromaticContact CE2-CD2 3.03Å; Y262-H346 WeakPolarHBondContact CE2-CD2 3.46Å; Y262-H346 AromaticContact CE2-CG 3.66Å; Y262-H346 AromaticContact CE2-NE2 3.43Å; Y262-H346 WeakPolarHBondContact CE2-NE2 3.18Å; Y262-H346 HydrophobicContact CG-CB 4.08Å; Y262-H346 AromaticContact CZ-CD2 3.82Å; M321-H346 WeakPolarHBondContact CE-CD2 3.02Å; M321-H346 WeakPolarHBondContact CE-CE1 3.19Å; M321-H346 WeakPolarHBondContact CE-ND1 3.27Å; M321-H346 WeakPolarHBondContact CE-NE2 3.44Å; S342-H346 PolarHBondContact O-CD2 3.03Å; S342-H346 VanDerWaalsContact O-CD2 3.23Å; S342-H346 PolarHBondContact O-N 3.49Å; T343-H346 PolarHBondContact O-N 3.06Å; H346-A348 VanDerWaalsContact C-N 3.3Å; H346-A348 PolarHBondContact O-N 2.86Å; H346-E349 PolarHBondContact O-N 3.3Å; H346-E349 VanDerWaalsContact O-N 3.14Å; H346-D350 WeakPolarHBondContact O-CB 3.48Å; H346-D350 PolarHBondContact O-N 2.98Å
347	L	96.2	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-41.4	179.9	-177.1	62.4	0	0	0	111.7	F245 A249 L253 I255 Y260 L277 W284 T343 F345 C351	F245-L347 HydrophobicContact CE1-CD2 4.08Å; F245-L347 HydrophobicContact CE2-CB 4.24Å; F245-L347 HydrophobicContact CE2-CD2 3.99Å; F245-L347 HydrophobicContact CE2-CG 3.67Å; F245-L347 HydrophobicContact CZ-CB 3.86Å; F245-L347 HydrophobicContact CZ-CD2 3.52Å; F245-L347 HydrophobicContact CZ-CG 3.56Å; A249-L347 HydrophobicContact CB-CD1 4.13Å; L253-L347 HydrophobicContact CD1-CD1 3.5Å; L253-L347 VanDerWaalsContact CD1-CD1 3.5Å; I255-L347 HydrophobicContact CD1-CD1 4.47Å; Y260-L347 HydrophobicContact CD1-CB 4.31Å; Y260-L347 HydrophobicContact CD1-CD1 4.03Å; Y260-L347 HydrophobicContact CD2-CD1 3.71Å; Y260-L347 HydrophobicContact CE1-CB 3.76Å; Y260-L347 HydrophobicContact CE1-CD1 4Å; Y260-L347 HydrophobicContact CE1-CG 4.43Å; Y260-L347 HydrophobicContact CE2-CD1 3.72Å; Y260-L347 HydrophobicContact CG-CD1 3.88Å; Y260-L347 WeakPolarHBondContact OH-CA 3.45Å; Y260-L347 PolarHBondContact OH-N 2.95Å; L277-L347 HydrophobicContact CD1-CD2 4.09Å; L277-L347 HydrophobicContact CD2-CD2 4.07Å; W284-L347 HydrophobicContact CE3-CD2 4.29Å; W284-L347 HydrophobicContact CH2-CD2 4.29Å; W284-L347 HydrophobicContact CZ3-CD2 3.66Å; T343-L347 WeakPolarHBondContact O-CB 3.18Å; T343-L347 PolarHBondContact O-N 3.09Å; F345-L347 PolarHBondContact O-N 3.06Å; L347-C351 WeakPolarHBondContact O-CB 3.43Å; L347-C351 PolarHBondContact O-N 3.02Å; L347-C351 VanDerWaalsContact O-N 3.1Å; L347-C351 PolarHBondContact O-SG 3.1Å
348	A	96.1	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-38.8	175.8	0	0	0	0	0	112.6	F245 I292 V295 H344 F345 H346 M352	F245-A348 HydrophobicContact CE2-CB 4.03Å; F245-A348 HydrophobicContact CZ-CB 4.21Å; I292-A348 HydrophobicContact CD1-CB 4.23Å; V295-A348 HydrophobicContact CG1-CB 3.97Å; H344-A348 VanDerWaalsContact O-CB 3.28Å; H344-A348 WeakPolarHBondContact O-CB 3.27Å; H344-A348 PolarHBondContact O-N 3.19Å; H344-A348 VanDerWaalsContact O-N 3.09Å; F345-A348 PolarHBondContact O-N 3.08Å; H346-A348 VanDerWaalsContact C-N 3.3Å; H346-A348 PolarHBondContact O-N 2.86Å; A348-M352 WeakPolarHBondContact O-CB 3.4Å; A348-M352 VanDerWaalsContact O-CG 3.32Å; A348-M352 WeakPolarHBondContact O-CG 3.3Å; A348-M352 PolarHBondContact O-N 3.44Å
349	E	94.3	Very high	93.6	Very high	97 Å²	97	38.5 Å²	38.5	45%	0.453	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-46.7	176.8	-173.2	167.6	-147.7	0	0	111.5	F345 H346 C351 M352 Q353	F345-E349 WeakPolarHBondContact O-CB 3.36Å; F345-E349 PolarHBondContact O-N 3.42Å; H346-E349 PolarHBondContact O-N 3.3Å; H346-E349 VanDerWaalsContact O-N 3.14Å; E349-C351 PolarHBondContact O-N 2.68Å; E349-M352 PolarHBondContact O-N 3.13Å; E349-Q353 WeakPolarHBondContact O-CB 3.38Å; E349-Q353 PolarHBondContact O-N 3.37Å
350	D	95.8	Very high	94	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-61.5	-44.2	176.9	-70.1	-13.8	0	0	0	111.4	L253 Y260 H346 M352 Q353 T354	L253-D350 HydrophobicContact CD1-CB 4.08Å; L253-D350 HydrophobicContact CD2-CB 3.9Å; Y260-D350 WeakPolarHBondContact CE2-OD2 3.48Å; Y260-D350 PolarHBondContact OH-OD2 3.32Å; H346-D350 WeakPolarHBondContact O-CB 3.48Å; H346-D350 PolarHBondContact O-N 2.98Å; D350-M352 PolarHBondContact O-N 3.22Å; D350-Q353 PolarHBondContact O-N 3.41Å; D350-T354 PolarHBondContact O-N 2.99Å; D350-T354 PolarHBondContact O-OG1 2.86Å
351	C	97.6	Very high	94.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-48.7	173.6	-73.1	0	0	0	0	111.3	M248 I292 L347 E349 T354 Y355	M248-C351 HydrophobicContact CE-CB 3.96Å; M248-C351 VanDerWaalsContact CE-O 3.29Å; M248-C351 WeakPolarHBondContact CE-O 3.3Å; M248-C351 HydrophobicContact CG-CB 4.23Å; M248-C351 HydrophobicContact SD-CB 3.98Å; I292-C351 HydrophobicContact CD1-CB 4.12Å; L347-C351 WeakPolarHBondContact O-CB 3.43Å; L347-C351 PolarHBondContact O-N 3.02Å; L347-C351 VanDerWaalsContact O-N 3.1Å; L347-C351 PolarHBondContact O-SG 3.1Å; E349-C351 PolarHBondContact O-N 2.68Å; C351-T354 PolarHBondContact O-N 2.82Å; C351-Y355 VanDerWaalsContact O-CB 3.32Å; C351-Y355 WeakPolarHBondContact O-CB 3.43Å; C351-Y355 PolarHBondContact O-N 3.23Å
352	M	96.1	Very high	94.3	Very high	47 Å²	47	40.6 Å²	40.6	23%	0.232	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-38.5	-178.3	-77.6	-57.4	-52	0	0	112.6	I292 A348 E349 D350 Y355 Q356	I292-M352 HydrophobicContact CB-SD 4.32Å; I292-M352 HydrophobicContact CD1-CG 4.36Å; I292-M352 HydrophobicContact CG1-CG 3.82Å; I292-M352 HydrophobicContact CG1-SD 3.4Å; I292-M352 WeakPolarHBondContact CG1-SD 3.28Å; I292-M352 HydrophobicContact CG2-SD 3.95Å; A348-M352 WeakPolarHBondContact O-CB 3.4Å; A348-M352 VanDerWaalsContact O-CG 3.32Å; A348-M352 WeakPolarHBondContact O-CG 3.3Å; A348-M352 PolarHBondContact O-N 3.44Å; E349-M352 PolarHBondContact O-N 3.13Å; D350-M352 PolarHBondContact O-N 3.22Å; M352-Y355 HydrophobicContact CE-CD1 4.18Å; M352-Y355 PolarHBondContact O-N 3.33Å; M352-Q356 HydrophobicContact CE-CG 4.44Å; M352-Q356 WeakPolarHBondContact O-CB 3.2Å; M352-Q356 VanDerWaalsContact O-CG 3.27Å; M352-Q356 WeakPolarHBondContact O-CG 3.34Å; M352-Q356 PolarHBondContact O-N 3.15Å
353	Q	96.2	Very high	94.7	Very high	100 Å²	100	40.5 Å²	40.5	47%	0.467	20%	0.197	S	C	.	.	H	α-helix	trans	-63.3	-49.7	177.2	-175.6	64	18.9	0	0	110.6	E349 D350 Y355 Q356 N357	E349-Q353 WeakPolarHBondContact O-CB 3.38Å; E349-Q353 PolarHBondContact O-N 3.37Å; D350-Q353 PolarHBondContact O-N 3.41Å; Q353-Y355 VanDerWaalsContact C-N 3.32Å; Q353-Y355 PolarHBondContact O-N 2.77Å; Q353-Q356 PolarHBondContact O-N 2.99Å; Q353-N357 PolarHBondContact NE2-ND2 3.38Å; Q353-N357 WeakPolarHBondContact O-CB 3.21Å; Q353-N357 VanDerWaalsContact O-CG 3.22Å; Q353-N357 PolarHBondContact O-N 2.89Å; Q353-N357 VanDerWaalsContact O-N 3.08Å; Q353-N357 PolarHBondContact O-ND2 2.79Å; Q353-N357 VanDerWaalsContact O-ND2 3.09Å
354	T	95.8	Very high	94.9	Very high	46 Å²	46	46 Å²	46	28%	0.282	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-38.8	177.4	-58.3	0	0	0	0	111.7	L252 D350 C351 H358	L252-T354 HydrophobicContact CB-CG2 3.92Å; L252-T354 HydrophobicContact CD1-CG2 4.44Å; L252-T354 HydrophobicContact CD2-CG2 4.37Å; L252-T354 HydrophobicContact CG-CG2 4.49Å; D350-T354 PolarHBondContact O-N 2.99Å; D350-T354 PolarHBondContact O-OG1 2.86Å; C351-T354 PolarHBondContact O-N 2.82Å; T354-H358 PolarHBondContact O-N 3.25Å
355	Y	96.1	Very high	95	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.114	22%	0.224	C	C	.	.	I	π-helix	trans	-61.4	-49	174.9	170.6	-95.9	0	0	0	112.9	L243 M248 C351 M352 Q353 N357 H358 A359 N360 C363	L243-Y355 HydrophobicContact CD1-CE2 3.8Å; L243-Y355 HydrophobicContact CD2-CD2 3.64Å; L243-Y355 HydrophobicContact CD2-CE2 3.66Å; L243-Y355 HydrophobicContact CG-CE2 4.41Å; M248-Y355 VanDerWaalsContact CE-CB 3.41Å; M248-Y355 HydrophobicContact CE-CD2 4.18Å; M248-Y355 HydrophobicContact CE-CG 3.96Å; C351-Y355 VanDerWaalsContact O-CB 3.32Å; C351-Y355 WeakPolarHBondContact O-CB 3.43Å; C351-Y355 PolarHBondContact O-N 3.23Å; M352-Y355 HydrophobicContact CE-CD1 4.18Å; M352-Y355 PolarHBondContact O-N 3.33Å; Q353-Y355 VanDerWaalsContact C-N 3.32Å; Q353-Y355 PolarHBondContact O-N 2.77Å; Y355-N357 VanDerWaalsContact C-N 3.33Å; Y355-N357 PolarHBondContact O-N 3.39Å; Y355-H358 PolarHBondContact O-N 3.24Å; Y355-A359 HydrophobicContact CD2-CB 4.04Å; Y355-A359 PolarHBondContact O-N 2.94Å; Y355-A359 VanDerWaalsContact O-N 3.16Å; Y355-N360 HydrophobicContact CD1-CB 4.21Å; Y355-N360 HydrophobicContact CD2-CB 4.4Å; Y355-N360 HydrophobicContact CE1-CB 3.78Å; Y355-N360 HydrophobicContact CE2-CB 4.01Å; Y355-N360 HydrophobicContact CG-CB 4.49Å; Y355-N360 VanDerWaalsContact O-CB 3.23Å; Y355-N360 WeakPolarHBondContact O-CB 3.38Å; Y355-N360 PolarHBondContact O-N 3.48Å; Y355-N360 PolarHBondContact OH-OD1 3.08Å; Y355-C363 HydrophobicContact CE2-CB 4.5Å
356	Q	95.7	Very high	95.3	Very high	116 Å²	116	44.1 Å²	44.1	54%	0.542	21%	0.214	S	C	.	.	I	π-helix	trans	-64.3	-38.7	-178.2	-74.6	175	2.7	0	0	112.2	M352 Q353	M352-Q356 HydrophobicContact CE-CG 4.44Å; M352-Q356 WeakPolarHBondContact O-CB 3.2Å; M352-Q356 VanDerWaalsContact O-CG 3.27Å; M352-Q356 WeakPolarHBondContact O-CG 3.34Å; M352-Q356 PolarHBondContact O-N 3.15Å; Q353-Q356 PolarHBondContact O-N 2.99Å
357	N	94.1	Very high	95.5	Very high	113 Å²	113	44 Å²	44	60%	0.604	21%	0.213	S	C	*	.	I	π-helix	trans	-76.6	-30.2	-178.2	-65.7	-25.8	0	0	0	113	Q353 Y355	Q353-N357 PolarHBondContact NE2-ND2 3.38Å; Q353-N357 WeakPolarHBondContact O-CB 3.21Å; Q353-N357 VanDerWaalsContact O-CG 3.22Å; Q353-N357 PolarHBondContact O-N 2.89Å; Q353-N357 VanDerWaalsContact O-N 3.08Å; Q353-N357 PolarHBondContact O-ND2 2.79Å; Q353-N357 VanDerWaalsContact O-ND2 3.09Å; Y355-N357 VanDerWaalsContact C-N 3.33Å; Y355-N357 PolarHBondContact O-N 3.39Å
358	H	92.4	Very high	95.5	Very high	48 Å²	48	44.4 Å²	44.4	22%	0.222	22%	0.216	C	C	.	.	I	π-helix	trans	-136.5	-64.4	-169.6	-171.2	65.4	0	0	0	114.3	T354 Y355 N360 K361 D400	T354-H358 PolarHBondContact O-N 3.25Å; Y355-H358 PolarHBondContact O-N 3.24Å; H358-N360 VanDerWaalsContact C-N 3.31Å; H358-N360 PolarHBondContact O-N 3.49Å; H358-K361 WeakPolarHBondContact O-CG 3.19Å; H358-D400 IonicContact CD2-OD2 3.91Å; H358-D400 IonicContact CE1-OD2 3.62Å; H358-D400 IonicContact NE2-OD2 2.81Å; H358-D400 PolarHBondContact NE2-OD2 3.49Å
359	A	93.5	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-68.4	-25.4	-166.2	0	0	0	0	0	114.5	L252 Y355 K361 L362 C363	L252-A359 HydrophobicContact CD1-CB 4.35Å; L252-A359 HydrophobicContact CD2-CB 4Å; Y355-A359 HydrophobicContact CD2-CB 4.04Å; Y355-A359 PolarHBondContact O-N 2.94Å; Y355-A359 VanDerWaalsContact O-N 3.16Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 3.14Å; A359-L362 WeakPolarHBondContact O-CB 3.17Å; A359-L362 PolarHBondContact O-N 2.68Å; A359-C363 PolarHBondContact O-N 3.21Å; A359-C363 PolarHBondContact O-SG 3.4Å
360	N	93.9	Very high	95.6	Very high	66 Å²	66	39.9 Å²	39.9	35%	0.353	20%	0.195	S	C	.	.	H	α-helix	trans	-57.2	-41.4	-178.4	-177.9	21.2	0	0	0	112.9	Y355 H358 L362	Y355-N360 HydrophobicContact CD1-CB 4.21Å; Y355-N360 HydrophobicContact CD2-CB 4.4Å; Y355-N360 HydrophobicContact CE1-CB 3.78Å; Y355-N360 HydrophobicContact CE2-CB 4.01Å; Y355-N360 HydrophobicContact CG-CB 4.49Å; Y355-N360 VanDerWaalsContact O-CB 3.23Å; Y355-N360 WeakPolarHBondContact O-CB 3.38Å; Y355-N360 PolarHBondContact O-N 3.48Å; Y355-N360 PolarHBondContact OH-OD1 3.08Å; H358-N360 VanDerWaalsContact C-N 3.31Å; H358-N360 PolarHBondContact O-N 3.49Å; N360-L362 PolarHBondContact O-N 3.16Å
361	K	92.4	Very high	95.6	Very high	77 Å²	77	39.8 Å²	39.8	34%	0.335	19%	0.193	S	C	.	.	H	α-helix	trans	-68.5	-22.3	178	56.3	170.7	-179	-174.6	0	113.2	H358 A359 D393 S395	H358-K361 WeakPolarHBondContact O-CG 3.19Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 3.14Å; K361-D393 IonicContact NZ-OD2 2.75Å; K361-D393 PolarHBondContact NZ-OD2 2.88Å; K361-S395 PolarHBondContact NZ-OG 3.12Å
362	L	96.9	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-87.1	-45.7	179.5	-57	175.8	0	0	0	111.4	A359 N360 K364 V365 E366 I390 V396 D400	A359-L362 WeakPolarHBondContact O-CB 3.17Å; A359-L362 PolarHBondContact O-N 2.68Å; N360-L362 PolarHBondContact O-N 3.16Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 2.92Å; L362-K364 VanDerWaalsContact O-N 3.13Å; L362-V365 PolarHBondContact O-N 3.42Å; L362-E366 WeakPolarHBondContact O-CG 3.39Å; L362-E366 PolarHBondContact O-N 3.18Å; L362-I390 HydrophobicContact CD2-CD1 4.02Å; L362-I390 HydrophobicContact CD2-CG1 4.27Å; L362-I390 HydrophobicContact CD2-CG2 3.49Å; L362-I390 VanDerWaalsContact CD2-CG2 3.49Å; L362-V396 HydrophobicContact CD2-CG1 4.07Å; L362-V396 HydrophobicContact CD2-CG2 4.46Å; L362-D400 HydrophobicContact CD1-CB 3.76Å
363	C	96.9	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-51.1	-43.9	-172.8	-70.9	0	0	0	0	113	H241 Y355 A359 V365 E366 Q367 M481	H241-C363 VanDerWaalsContact CB-SG 3.59Å; Y355-C363 HydrophobicContact CE2-CB 4.5Å; A359-C363 PolarHBondContact O-N 3.21Å; A359-C363 PolarHBondContact O-SG 3.4Å; C363-V365 PolarHBondContact O-N 2.89Å; C363-E366 PolarHBondContact O-N 3.28Å; C363-Q367 WeakPolarHBondContact O-CB 3.43Å; C363-Q367 VanDerWaalsContact O-CG 3.24Å; C363-Q367 WeakPolarHBondContact O-CG 3.13Å; C363-Q367 PolarHBondContact O-N 3.18Å; C363-M481 HydrophobicContact CB-CB 4.33Å
364	K	94.1	Very high	95.1	Very high	116 Å²	116	37 Å²	37	50%	0.504	19%	0.185	S	C	.	.	H	α-helix	trans	-57.3	-52.6	178.9	-175.2	177.8	177.6	175.5	0	111.9	L362 E366 Q367 D368 M481	L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 2.92Å; L362-K364 VanDerWaalsContact O-N 3.13Å; K364-E366 VanDerWaalsContact C-N 3.33Å; K364-E366 PolarHBondContact O-N 3.31Å; K364-Q367 PolarHBondContact O-N 2.73Å; K364-D368 WeakPolarHBondContact O-CB 3.34Å; K364-D368 PolarHBondContact O-N 3.47Å; K364-M481 HydrophobicContact CB-CE 3.97Å; K364-M481 HydrophobicContact CB-SD 3.7Å; K364-M481 HydrophobicContact CD-CE 4.38Å; K364-M481 HydrophobicContact CG-CE 4.24Å; K364-M481 HydrophobicContact CG-SD 4.27Å
365	V	96.3	Very high	94.9	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-38.8	-176.9	-179.7	0	0	0	0	110.6	L362 C363 D368 L369 M387 I390 V404	L362-V365 PolarHBondContact O-N 3.42Å; C363-V365 PolarHBondContact O-N 2.89Å; V365-D368 PolarHBondContact O-N 2.9Å; V365-L369 HydrophobicContact CG1-CD1 3.74Å; V365-L369 HydrophobicContact CG1-CG 4.3Å; V365-L369 WeakPolarHBondContact O-CB 3.39Å; V365-L369 WeakPolarHBondContact O-CD1 3.37Å; V365-L369 WeakPolarHBondContact O-CG 3.44Å; V365-L369 PolarHBondContact O-N 3.5Å; V365-M387 HydrophobicContact CG1-CG 4.05Å; V365-I390 HydrophobicContact CB-CD1 3.6Å; V365-I390 HydrophobicContact CG1-CD1 3.97Å; V365-I390 HydrophobicContact CG2-CD1 3.44Å; V365-I390 VanDerWaalsContact CG2-CD1 3.44Å; V365-V404 HydrophobicContact CG1-CG1 4.27Å
366	E	97.8	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-46.8	175.4	-72.7	179.6	-174.2	0	0	112.6	L240 H241 L362 C363 K364 L369 A370 R403 V404 L407	L240-E366 HydrophobicContact CD2-CB 3.75Å; H241-E366 VanDerWaalsContact CB-OE2 3.32Å; H241-E366 WeakPolarHBondContact CB-OE2 3.13Å; H241-E366 IonicContact CE1-OE1 3.39Å; H241-E366 PolarHBondContact CE1-OE1 3.41Å; H241-E366 IonicContact CG-OE1 2.73Å; H241-E366 IonicContact CG-OE2 3.75Å; H241-E366 PolarHBondContact N-OE2 3.16Å; H241-E366 VanDerWaalsContact ND1-CD 3.31Å; H241-E366 IonicContact ND1-OE1 3.4Å; H241-E366 PolarHBondContact ND1-OE1 2.8Å; H241-E366 IonicContact ND1-OE2 4Å; H241-E366 PolarHBondContact ND1-OE2 3.09Å; H241-E366 VanDerWaalsContact ND1-OE2 3.11Å; L362-E366 WeakPolarHBondContact O-CG 3.39Å; L362-E366 PolarHBondContact O-N 3.18Å; C363-E366 PolarHBondContact O-N 3.28Å; K364-E366 VanDerWaalsContact C-N 3.33Å; K364-E366 PolarHBondContact O-N 3.31Å; E366-L369 PolarHBondContact O-N 2.65Å; E366-A370 VanDerWaalsContact O-CB 3.29Å; E366-A370 WeakPolarHBondContact O-CB 3.39Å; E366-A370 PolarHBondContact O-N 3.36Å; E366-R403 IonicContact OE1-NE 2.75Å; E366-V404 HydrophobicContact CG-CG2 4.34Å; E366-L407 HydrophobicContact CB-CD1 3.79Å; E366-L407 HydrophobicContact CG-CD1 3.74Å
367	Q	96.7	Very high	94.3	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-42.3	177.8	-66.3	-59.8	-54.5	0	0	111.8	C363 K364 L369 A370 M371 M481	C363-Q367 WeakPolarHBondContact O-CB 3.43Å; C363-Q367 VanDerWaalsContact O-CG 3.24Å; C363-Q367 WeakPolarHBondContact O-CG 3.13Å; C363-Q367 PolarHBondContact O-N 3.18Å; K364-Q367 PolarHBondContact O-N 2.73Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 2.72Å; Q367-A370 PolarHBondContact O-N 2.82Å; Q367-M371 VanDerWaalsContact O-CB 3.26Å; Q367-M371 WeakPolarHBondContact O-CB 3.45Å; Q367-M371 VanDerWaalsContact O-CG 3.23Å; Q367-M371 WeakPolarHBondContact O-CG 3.04Å; Q367-M371 PolarHBondContact O-N 2.97Å; Q367-M481 VanDerWaalsContact CG-O 3.25Å; Q367-M481 WeakPolarHBondContact CG-O 3.35Å
368	D	95.9	Very high	94.3	Very high	10 Å²	10	39 Å²	39	5%	0.053	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-41	176.9	-68.6	-6.4	0	0	0	111.4	K364 V365 G372 V380 R483	K364-D368 WeakPolarHBondContact O-CB 3.34Å; K364-D368 PolarHBondContact O-N 3.47Å; V365-D368 PolarHBondContact O-N 2.9Å; D368-G372 WeakPolarHBondContact O-CA 3.18Å; D368-G372 PolarHBondContact O-N 3.17Å; D368-V380 HydrophobicContact CB-CG2 4.21Å; D368-R483 IonicContact OD1-CZ 3.82Å; D368-R483 IonicContact OD1-NH2 2.81Å; D368-R483 PolarHBondContact OD1-NH2 2.94Å
369	L	97	Very high	94.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-45.4	176.8	-72	165.6	0	0	0	112.4	V365 E366 Q367 H383 M387 V404 L407 Y408 Q411	V365-L369 HydrophobicContact CG1-CD1 3.74Å; V365-L369 HydrophobicContact CG1-CG 4.3Å; V365-L369 WeakPolarHBondContact O-CB 3.39Å; V365-L369 WeakPolarHBondContact O-CD1 3.37Å; V365-L369 WeakPolarHBondContact O-CG 3.44Å; V365-L369 PolarHBondContact O-N 3.5Å; E366-L369 PolarHBondContact O-N 2.65Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 2.72Å; L369-H383 HydrophobicContact CD2-CB 4.21Å; L369-H383 VanDerWaalsContact CD2-CD2 3.49Å; L369-H383 WeakPolarHBondContact CD2-CD2 3.33Å; L369-M387 HydrophobicContact CD1-CG 4.04Å; L369-M387 HydrophobicContact CD1-SD 4.22Å; L369-M387 HydrophobicContact CD2-CG 4.38Å; L369-M387 HydrophobicContact CD2-SD 3.86Å; L369-V404 HydrophobicContact CD1-CG1 3.9Å; L369-L407 HydrophobicContact CB-CB 3.76Å; L369-L407 HydrophobicContact CD1-CB 4.05Å; L369-L407 HydrophobicContact CG-CB 4.5Å; L369-Y408 HydrophobicContact CD2-CD2 4.15Å; L369-Q411 WeakPolarHBondContact O-CG 3.29Å
370	A	96.6	Very high	94.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-39.5	179.9	0	0	0	0	0	112.4	I236 L240 E366 Q367 L407 P467 W484	I236-A370 HydrophobicContact CG2-CB 3.82Å; L240-A370 HydrophobicContact CD1-CB 4.06Å; L240-A370 HydrophobicContact CD2-CB 4.03Å; E366-A370 VanDerWaalsContact O-CB 3.29Å; E366-A370 WeakPolarHBondContact O-CB 3.39Å; E366-A370 PolarHBondContact O-N 3.36Å; Q367-A370 PolarHBondContact O-N 2.82Å; A370-L407 HydrophobicContact CB-CD2 4.24Å; A370-P467 WeakPolarHBondContact O-CD 3.47Å; A370-P467 WeakPolarHBondContact O-CG 3.32Å; A370-W484 HydrophobicContact CB-CD2 4.4Å; A370-W484 HydrophobicContact CB-CE3 3.91Å; A370-W484 HydrophobicContact CB-CZ3 4.45Å
371	M	94.9	Very high	93.8	Very high	49 Å²	49	53.9 Å²	53.9	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-84	-26	-179.4	-63	-56.6	-63.7	0	0	112.8	Q367 T373 P467 R483 W484	Q367-M371 VanDerWaalsContact O-CB 3.26Å; Q367-M371 WeakPolarHBondContact O-CB 3.45Å; Q367-M371 VanDerWaalsContact O-CG 3.23Å; Q367-M371 WeakPolarHBondContact O-CG 3.04Å; Q367-M371 PolarHBondContact O-N 2.97Å; M371-T373 PolarHBondContact O-N 3.12Å; M371-P467 WeakPolarHBondContact O-CG 3.45Å; M371-R483 HydrophobicContact CG-CB 4.1Å; M371-R483 HydrophobicContact SD-CB 4.38Å; M371-W484 HydrophobicContact SD-CE3 3.94Å
372	G	93.3	Very high	93.7	Very high	7 Å²	7	54.6 Å²	54.6	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	73	2.4	-171	0	0	0	0	0	115	D368 V380	D368-G372 WeakPolarHBondContact O-CA 3.18Å; D368-G372 PolarHBondContact O-N 3.17Å; G372-V380 PolarHBondContact O-N 2.97Å
373	T	94.2	Very high	93.4	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.233	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-134.9	144.9	-179.7	56.1	0	0	0	0	109.4	M371 G377 E378 R483	M371-T373 PolarHBondContact O-N 3.12Å; T373-G377 WeakPolarHBondContact CG2-O 3.42Å; T373-E378 CarbonylContact C-O 3.57Å; T373-E378 WeakPolarHBondContact CA-O 3.37Å; T373-E378 WeakPolarHBondContact CB-O 3.42Å; T373-R483 PolarHBondContact O-NH1 3.5Å; T373-R483 PolarHBondContact O-NH2 2.85Å
374	D	93.3	Very high	93.2	Very high	42 Å²	42	57.9 Å²	57.9	23%	0.225	29%	0.287	C	S	.	.			trans	-70.1	177.6	170.7	63	20.4	0	0	0	111.6	E376 G377 E378 V380 R483	D374-E376 PolarHBondContact O-N 2.96Å; D374-E376 VanDerWaalsContact O-N 3.14Å; D374-E376 WeakPolarHBondContact OD1-CB 3.33Å; D374-E376 PolarHBondContact OD1-N 3.13Å; D374-E376 VanDerWaalsContact OD1-N 3.13Å; D374-G377 PolarHBondContact O-N 2.85Å; D374-G377 PolarHBondContact OD1-N 2.87Å; D374-G377 VanDerWaalsContact OD1-N 3.14Å; D374-E378 PolarHBondContact N-O 3.32Å; D374-E378 WeakPolarHBondContact OD1-CB 3.27Å; D374-E378 PolarHBondContact OD1-N 2.58Å; D374-V380 HydrophobicContact CB-CG2 4.46Å; D374-R483 PolarHBondContact O-NH1 3.43Å
375	A	91	Very high	93.1	Very high	32 Å²	32	62 Å²	62	26%	0.264	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.4	-177.1	0	0	0	0	0	113.4	G377 Q480	A375-G377 VanDerWaalsContact C-N 3.32Å; A375-Q480 HydrophobicContact CB-CB 4.14Å; A375-Q480 HydrophobicContact CB-CG 3.99Å
376	E	90.6	Very high	92.9	Very high	137 Å²	137	63.7 Å²	63.7	64%	0.64	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.3	178	-64	66.9	-145.3	0	0	112.6	D374	D374-E376 PolarHBondContact O-N 2.96Å; D374-E376 VanDerWaalsContact O-N 3.14Å; D374-E376 WeakPolarHBondContact OD1-CB 3.33Å; D374-E376 PolarHBondContact OD1-N 3.13Å; D374-E376 VanDerWaalsContact OD1-N 3.13Å
377	G	89.6	Confident	92.8	Very high	47 Å²	47	63.7 Å²	63.7	49%	0.485	31%	0.31	S	S	.	.	S	Bend	trans	88.9	5.3	-178.6	0	0	0	0	0	113.5	T373 D374 A375	T373-G377 WeakPolarHBondContact CG2-O 3.42Å; D374-G377 PolarHBondContact O-N 2.85Å; D374-G377 PolarHBondContact OD1-N 2.87Å; D374-G377 VanDerWaalsContact OD1-N 3.14Å; A375-G377 VanDerWaalsContact C-N 3.32Å
378	E	93	Very high	92.7	Very high	132 Å²	132	66.5 Å²	66.5	62%	0.617	33%	0.327	S	S	*	.			trans	-81.5	141.8	179.4	-67.7	-61.5	146.4	0	0	110.9	T373 D374 V380	T373-E378 CarbonylContact C-O 3.57Å; T373-E378 WeakPolarHBondContact CA-O 3.37Å; T373-E378 WeakPolarHBondContact CB-O 3.42Å; D374-E378 PolarHBondContact N-O 3.32Å; D374-E378 WeakPolarHBondContact OD1-CB 3.27Å; D374-E378 PolarHBondContact OD1-N 2.58Å; E378-V380 PolarHBondContact O-N 3.18Å
379	R	92.5	Very high	92.7	Very high	209 Å²	209	69.6 Å²	69.6	79%	0.789	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-67.5	125.3	-176.7	-153.2	179.7	-170.5	-174.9	4.1	110.4	K381	R379-K381 PolarHBondContact O-N 2.9Å
380	V	90.3	Very high	92.7	Very high	21 Å²	21	70.1 Å²	70.1	13%	0.127	35%	0.351	C	S	.	.			trans	-68.5	108.6	179.6	-176.6	0	0	0	0	109.4	D368 G372 D374 E378 H383	D368-V380 HydrophobicContact CB-CG2 4.21Å; G372-V380 PolarHBondContact O-N 2.97Å; D374-V380 HydrophobicContact CB-CG2 4.46Å; E378-V380 PolarHBondContact O-N 3.18Å; V380-H383 PolarHBondContact O-CE1 2.61Å
381	K	87.3	Confident	92.7	Very high	196 Å²	196	70.2 Å²	70.2	85%	0.852	35%	0.351	S	S	*	.	S	Bend	trans	-79.3	-47	-177.7	-65	-178.9	-176.2	173	0	112.1	R379	R379-K381 PolarHBondContact O-N 2.9Å
382	D	89.2	Confident	92.8	Very high	92 Å²	92	72.4 Å²	72.4	49%	0.492	36%	0.363	S	S	.	.			trans	-118.4	88.3	-177.1	-174.7	4.2	0	0	0	110.9	M384 R385	D382-M384 PolarHBondContact O-N 2.66Å; D382-M384 WeakPolarHBondContact OD1-CB 3.36Å; D382-M384 PolarHBondContact OD1-N 3.48Å; D382-R385 HydrophobicContact CB-CB 4.4Å; D382-R385 PolarHBondContact O-N 2.77Å; D382-R385 PolarHBondContact OD1-N 3.26Å
383	H	91.2	Very high	92.9	Very high	14 Å²	14	74.3 Å²	74.3	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-27.4	176.5	-60.1	82.7	0	0	0	112.1	L369 V380 R385 T386 M387 Y408	L369-H383 HydrophobicContact CD2-CB 4.21Å; L369-H383 VanDerWaalsContact CD2-CD2 3.49Å; L369-H383 WeakPolarHBondContact CD2-CD2 3.33Å; V380-H383 PolarHBondContact O-CE1 2.61Å; H383-R385 VanDerWaalsContact C-N 3.3Å; H383-R385 PolarHBondContact O-N 2.94Å; H383-T386 PolarHBondContact O-N 3.38Å; H383-T386 PolarHBondContact O-OG1 2.88Å; H383-M387 HydrophobicContact CB-SD 4.14Å; H383-M387 WeakPolarHBondContact O-CB 3.47Å; H383-M387 WeakPolarHBondContact O-CG 2.88Å; H383-M387 PolarHBondContact O-N 3.45Å; H383-Y408 HydrophobicContact CB-CD2 3.94Å; H383-Y408 HydrophobicContact CB-CE2 3.92Å
384	M	92.5	Very high	93	Very high	54 Å²	54	78.9 Å²	78.9	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-67.2	-35.3	-178	-70.3	-65.3	107.2	0	0	111.1	D382 T386 M387 V388 Y408 L423	D382-M384 PolarHBondContact O-N 2.66Å; D382-M384 WeakPolarHBondContact OD1-CB 3.36Å; D382-M384 PolarHBondContact OD1-N 3.48Å; M384-T386 PolarHBondContact O-N 3.21Å; M384-M387 HydrophobicContact CE-CE 3.83Å; M384-M387 HydrophobicContact CE-SD 3.48Å; M384-M387 WeakPolarHBondContact CE-SD 3.18Å; M384-M387 PolarHBondContact O-N 2.88Å; M384-V388 HydrophobicContact CB-CG2 4.31Å; M384-V388 WeakPolarHBondContact O-CB 2.97Å; M384-V388 VanDerWaalsContact O-CG2 3.23Å; M384-V388 WeakPolarHBondContact O-CG2 3.02Å; M384-V388 PolarHBondContact O-N 3.09Å; M384-Y408 HydrophobicContact CE-CD1 4.06Å; M384-Y408 HydrophobicContact CE-CD2 3.92Å; M384-Y408 HydrophobicContact CE-CE1 3.7Å; M384-Y408 HydrophobicContact CE-CE2 3.56Å; M384-Y408 HydrophobicContact CE-CG 4.16Å; M384-Y408 VanDerWaalsContact CE-CZ 3.45Å; M384-L423 HydrophobicContact CE-CD2 4.29Å; M384-L423 HydrophobicContact SD-CD2 4.03Å
385	R	92.6	Very high	93	Very high	204 Å²	204	80.5 Å²	80.5	77%	0.77	41%	0.405	S	S	*	.	H	α-helix	trans	-56.1	-36.3	177	-175.6	176.5	178.5	-177.5	-0.4	113.1	D382 H383 P389	D382-R385 HydrophobicContact CB-CB 4.4Å; D382-R385 PolarHBondContact O-N 2.77Å; D382-R385 PolarHBondContact OD1-N 3.26Å; H383-R385 VanDerWaalsContact C-N 3.3Å; H383-R385 PolarHBondContact O-N 2.94Å; R385-P389 WeakPolarHBondContact O-CD 2.96Å
386	T	91.5	Very high	93.3	Very high	46 Å²	46	79.3 Å²	79.3	28%	0.282	39%	0.394	S	S	.	.	H	α-helix	trans	-89.7	-33.3	179.4	54.6	0	0	0	0	112.5	H383 M384	H383-T386 PolarHBondContact O-N 3.38Å; H383-T386 PolarHBondContact O-OG1 2.88Å; M384-T386 PolarHBondContact O-N 3.21Å
387	M	95.7	Very high	93.5	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-76.2	-45.1	-179.2	-69.4	171.6	64.8	0	0	113.9	V365 L369 H383 M384 P389 I390 L391 V404 Y408	V365-M387 HydrophobicContact CG1-CG 4.05Å; L369-M387 HydrophobicContact CD1-CG 4.04Å; L369-M387 HydrophobicContact CD1-SD 4.22Å; L369-M387 HydrophobicContact CD2-CG 4.38Å; L369-M387 HydrophobicContact CD2-SD 3.86Å; H383-M387 HydrophobicContact CB-SD 4.14Å; H383-M387 WeakPolarHBondContact O-CB 3.47Å; H383-M387 WeakPolarHBondContact O-CG 2.88Å; H383-M387 PolarHBondContact O-N 3.45Å; M384-M387 HydrophobicContact CE-CE 3.83Å; M384-M387 HydrophobicContact CE-SD 3.48Å; M384-M387 WeakPolarHBondContact CE-SD 3.18Å; M384-M387 PolarHBondContact O-N 2.88Å; M387-P389 VanDerWaalsContact C-CD 3.49Å; M387-P389 VanDerWaalsContact C-N 3.35Å; M387-I390 WeakPolarHBondContact O-CB 3.37Å; M387-I390 PolarHBondContact O-N 3.37Å; M387-L391 HydrophobicContact CB-CD1 4.49Å; M387-L391 HydrophobicContact CE-CD1 4.43Å; M387-L391 WeakPolarHBondContact O-CG 3.46Å; M387-L391 PolarHBondContact O-N 3.12Å; M387-V404 HydrophobicContact CB-CG1 4.21Å; M387-V404 HydrophobicContact CE-CG1 3.93Å; M387-V404 HydrophobicContact CG-CG1 3.76Å; M387-Y408 HydrophobicContact CE-CD1 4Å; M387-Y408 HydrophobicContact CE-CD2 4.16Å; M387-Y408 HydrophobicContact CE-CG 3.57Å; M387-Y408 VanDerWaalsContact SD-CB 3.59Å; M387-Y408 HydrophobicContact SD-CD1 4.43Å; M387-Y408 HydrophobicContact SD-CD2 3.53Å; M387-Y408 VanDerWaalsContact SD-CD2 3.53Å; M387-Y408 HydrophobicContact SD-CE2 4.34Å; M387-Y408 HydrophobicContact SD-CG 3.59Å; M387-Y408 VanDerWaalsContact SD-CG 3.59Å
388	V	95.5	Very high	93.9	Very high	64 Å²	64	74.3 Å²	74.3	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-53.6	-44.5	-172.7	167.6	0	0	0	0	112.7	M384 I390 L391 I392	M384-V388 HydrophobicContact CB-CG2 4.31Å; M384-V388 WeakPolarHBondContact O-CB 2.97Å; M384-V388 VanDerWaalsContact O-CG2 3.23Å; M384-V388 WeakPolarHBondContact O-CG2 3.02Å; M384-V388 PolarHBondContact O-N 3.09Å; V388-I390 PolarHBondContact O-N 3.28Å; V388-L391 PolarHBondContact O-N 2.82Å; V388-L391 VanDerWaalsContact O-N 3.13Å; V388-I392 HydrophobicContact CG1-CD1 4.39Å; V388-I392 HydrophobicContact CG1-CG2 4.29Å; V388-I392 WeakPolarHBondContact O-CG1 3.03Å; V388-I392 PolarHBondContact O-N 3.16Å; V388-I392 VanDerWaalsContact O-N 3.09Å
389	P	95.9	Very high	94.1	Very high	75 Å²	75	69.7 Å²	69.7	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-54.9	-36.4	175.3	-27.6	36	0	0	0	114.1	R385 M387 D393	R385-P389 WeakPolarHBondContact O-CD 2.96Å; M387-P389 VanDerWaalsContact C-CD 3.49Å; M387-P389 VanDerWaalsContact C-N 3.35Å; P389-D393 WeakPolarHBondContact O-CB 3.33Å; P389-D393 PolarHBondContact O-N 3.13Å
390	I	96.6	Very high	94.4	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.062	31%	0.312	C	S	.	.	H	α-helix	trans	-74.3	-42.6	177.1	-64.5	172.9	0	0	0	110.8	L362 V365 M387 V388 I392 D393 V396 V404	L362-I390 HydrophobicContact CD2-CD1 4.02Å; L362-I390 HydrophobicContact CD2-CG1 4.27Å; L362-I390 HydrophobicContact CD2-CG2 3.49Å; L362-I390 VanDerWaalsContact CD2-CG2 3.49Å; V365-I390 HydrophobicContact CB-CD1 3.6Å; V365-I390 HydrophobicContact CG1-CD1 3.97Å; V365-I390 HydrophobicContact CG2-CD1 3.44Å; V365-I390 VanDerWaalsContact CG2-CD1 3.44Å; M387-I390 WeakPolarHBondContact O-CB 3.37Å; M387-I390 PolarHBondContact O-N 3.37Å; V388-I390 PolarHBondContact O-N 3.28Å; I390-I392 VanDerWaalsContact C-N 3.33Å; I390-I392 PolarHBondContact O-N 2.95Å; I390-D393 PolarHBondContact O-N 3.05Å; I390-V396 HydrophobicContact CG2-CG1 4.02Å; I390-V396 HydrophobicContact CG2-CG2 4.34Å; I390-V404 HydrophobicContact CD1-CG2 4.45Å; I390-V404 HydrophobicContact CG2-CG2 4.26Å
391	L	96.9	Very high	94.8	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-35.2	-175.3	-62.8	-176.7	0	0	0	112.6	M387 V388 K401 V404 I405 L423 A427	M387-L391 HydrophobicContact CB-CD1 4.49Å; M387-L391 HydrophobicContact CE-CD1 4.43Å; M387-L391 WeakPolarHBondContact O-CG 3.46Å; M387-L391 PolarHBondContact O-N 3.12Å; V388-L391 PolarHBondContact O-N 2.82Å; V388-L391 VanDerWaalsContact O-N 3.13Å; L391-K401 HydrophobicContact CD2-CB 3.98Å; L391-K401 HydrophobicContact CD2-CG 4.25Å; L391-K401 WeakPolarHBondContact O-CD 3.31Å; L391-K401 WeakPolarHBondContact O-CE 3.44Å; L391-K401 PolarHBondContact O-NZ 3.33Å; L391-V404 HydrophobicContact CD2-CG1 4.46Å; L391-I405 HydrophobicContact CD1-CG1 4.41Å; L391-I405 HydrophobicContact CD2-CD1 4.07Å; L391-I405 HydrophobicContact CD2-CG1 3.85Å; L391-L423 HydrophobicContact CD1-CD2 3.74Å; L391-A427 HydrophobicContact CB-CB 4.08Å; L391-A427 HydrophobicContact CD2-CB 4.1Å; L391-A427 WeakPolarHBondContact O-CA 3.49Å
392	I	96.2	Very high	95.3	Very high	94 Å²	94	50.4 Å²	50.4	48%	0.482	27%	0.267	S	S	.	.	H	α-helix	trans	-86.8	-15	179.8	70.4	-177.2	0	0	0	113.6	V388 I390 Q394	V388-I392 HydrophobicContact CG1-CD1 4.39Å; V388-I392 HydrophobicContact CG1-CG2 4.29Å; V388-I392 WeakPolarHBondContact O-CG1 3.03Å; V388-I392 PolarHBondContact O-N 3.16Å; V388-I392 VanDerWaalsContact O-N 3.09Å; I390-I392 VanDerWaalsContact C-N 3.33Å; I390-I392 PolarHBondContact O-N 2.95Å; I392-Q394 PolarHBondContact O-N 2.81Å; I392-Q394 PolarHBondContact O-NE2 2.85Å
393	D	95.9	Very high	95.7	Very high	48 Å²	48	46.4 Å²	46.4	26%	0.257	25%	0.245	S	C	.	.			trans	-67.2	119.7	179.3	-176.5	-7	0	0	0	110.2	K361 P389 I390 S395 V396 K401	K361-D393 IonicContact NZ-OD2 2.75Å; K361-D393 PolarHBondContact NZ-OD2 2.88Å; P389-D393 WeakPolarHBondContact O-CB 3.33Å; P389-D393 PolarHBondContact O-N 3.13Å; I390-D393 PolarHBondContact O-N 3.05Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.25Å; D393-S395 WeakPolarHBondContact OD1-CB 3.28Å; D393-S395 PolarHBondContact OD1-N 2.96Å; D393-S395 PolarHBondContact OD1-OG 3.01Å; D393-S395 PolarHBondContact OD2-OG 3.07Å; D393-S395 VanDerWaalsContact OD2-OG 3.05Å; D393-V396 HydrophobicContact CB-CB 4.47Å; D393-V396 HydrophobicContact CB-CG2 3.82Å; D393-V396 PolarHBondContact O-N 3.44Å; D393-K401 WeakPolarHBondContact O-CE 3.33Å; D393-K401 PolarHBondContact O-NZ 3.29Å
394	Q	95.3	Very high	96.1	Very high	134 Å²	134	45.8 Å²	45.8	63%	0.626	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.5	-178.2	-61.7	-59.9	-54	0	0	112.8	I392 V396	I392-Q394 PolarHBondContact O-N 2.81Å; I392-Q394 PolarHBondContact O-NE2 2.85Å; Q394-V396 VanDerWaalsContact C-N 3.27Å
395	S	94.6	Very high	96.3	Very high	76 Å²	76	43.2 Å²	43.2	53%	0.531	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.9	174.1	70.2	0	0	0	0	113.1	K361 D393	K361-S395 PolarHBondContact NZ-OG 3.12Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.25Å; D393-S395 WeakPolarHBondContact OD1-CB 3.28Å; D393-S395 PolarHBondContact OD1-N 2.96Å; D393-S395 PolarHBondContact OD1-OG 3.01Å; D393-S395 PolarHBondContact OD2-OG 3.07Å; D393-S395 VanDerWaalsContact OD2-OG 3.05Å
396	V	96.5	Very high	96.6	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-90.5	129.7	178.3	-177.3	0	0	0	0	109.8	L362 I390 D393 Q394 D400 K401	L362-V396 HydrophobicContact CD2-CG1 4.07Å; L362-V396 HydrophobicContact CD2-CG2 4.46Å; I390-V396 HydrophobicContact CG2-CG1 4.02Å; I390-V396 HydrophobicContact CG2-CG2 4.34Å; D393-V396 HydrophobicContact CB-CB 4.47Å; D393-V396 HydrophobicContact CB-CG2 3.82Å; D393-V396 PolarHBondContact O-N 3.44Å; Q394-V396 VanDerWaalsContact C-N 3.27Å; V396-D400 HydrophobicContact CG1-CB 3.57Å; V396-K401 HydrophobicContact CB-CG 4.36Å; V396-K401 HydrophobicContact CG1-CG 3.82Å; V396-K401 VanDerWaalsContact O-CE 3.25Å; V396-K401 WeakPolarHBondContact O-CE 3.23Å
397	S	95.9	Very high	96.9	Very high	51 Å²	51	31.4 Å²	31.4	36%	0.357	18%	0.179	S	C	.	.			trans	-64.5	156.6	-179.6	77.3	0	0	0	0	112.1	Y399 D400 K401	S397-Y399 VanDerWaalsContact C-N 3.26Å; S397-Y399 PolarHBondContact O-N 3.34Å; S397-D400 PolarHBondContact O-N 3.34Å; S397-D400 WeakPolarHBondContact OG-CB 3.25Å; S397-D400 PolarHBondContact OG-N 2.94Å; S397-D400 PolarHBondContact OG-OD2 2.86Å; S397-K401 WeakPolarHBondContact O-CG 3.43Å; S397-K401 PolarHBondContact O-N 3.23Å
398	A	97.2	Very high	97	Very high	27 Å²	27	32.4 Å²	32.4	22%	0.223	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-38.1	174.9	0	0	0	0	0	111.9	K401 L402 I429 P430	A398-K401 PolarHBondContact O-N 3.03Å; A398-L402 WeakPolarHBondContact O-CB 3.32Å; A398-L402 WeakPolarHBondContact O-CD1 3.28Å; A398-L402 VanDerWaalsContact O-CG 3.27Å; A398-L402 WeakPolarHBondContact O-CG 3.4Å; A398-L402 PolarHBondContact O-N 3.03Å; A398-I429 HydrophobicContact CB-CD1 4.26Å; A398-P430 HydrophobicContact CB-CG 4.49Å
399	Y	97.4	Very high	97	Very high	35 Å²	35	29.4 Å²	29.4	14%	0.137	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-41.6	176.3	-75	-54.3	0	0	0	112.5	S397 K401 L402 R403 I436 E587 L590 K591	S397-Y399 VanDerWaalsContact C-N 3.26Å; S397-Y399 PolarHBondContact O-N 3.34Å; Y399-K401 PolarHBondContact O-N 3.09Å; Y399-L402 HydrophobicContact CD1-CD1 4.21Å; Y399-L402 WeakPolarHBondContact O-CB 3.45Å; Y399-L402 PolarHBondContact O-N 3.36Å; Y399-L402 VanDerWaalsContact O-N 3.16Å; Y399-R403 WeakPolarHBondContact O-CG 3.03Å; Y399-R403 PolarHBondContact O-N 3.06Å; Y399-I436 HydrophobicContact CE1-CD1 4.25Å; Y399-E587 HydrophobicContact CD2-CG 3.67Å; Y399-E587 HydrophobicContact CE2-CG 3.69Å; Y399-E587 WeakPolarHBondContact CE2-OE1 2.96Å; Y399-E587 HydrophobicContact CG-CG 4.15Å; Y399-L590 HydrophobicContact CD1-CB 3.76Å; Y399-L590 HydrophobicContact CD1-CD1 3.58Å; Y399-L590 HydrophobicContact CD1-CG 4.32Å; Y399-L590 HydrophobicContact CE1-CB 3.89Å; Y399-L590 HydrophobicContact CG-CD1 4.1Å; Y399-K591 WeakPolarHBondContact OH-CG 3.42Å
400	D	98	Very high	97	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-40.2	176.3	-68.6	-39.4	0	0	0	112.2	H241 H358 L362 V396 S397 L402 R403 V404	H241-D400 IonicContact CE1-OD1 3.59Å; H358-D400 IonicContact CD2-OD2 3.91Å; H358-D400 IonicContact CE1-OD2 3.62Å; H358-D400 IonicContact NE2-OD2 2.81Å; H358-D400 PolarHBondContact NE2-OD2 3.49Å; L362-D400 HydrophobicContact CD1-CB 3.76Å; V396-D400 HydrophobicContact CG1-CB 3.57Å; S397-D400 PolarHBondContact O-N 3.34Å; S397-D400 WeakPolarHBondContact OG-CB 3.25Å; S397-D400 PolarHBondContact OG-N 2.94Å; S397-D400 PolarHBondContact OG-OD2 2.86Å; D400-L402 VanDerWaalsContact C-N 3.29Å; D400-L402 PolarHBondContact O-N 3.3Å; D400-R403 WeakPolarHBondContact O-CB 3.42Å; D400-R403 PolarHBondContact O-N 3.2Å; D400-R403 IonicContact OD1-NH1 3.43Å; D400-R403 PolarHBondContact OD1-NH1 2.76Å; D400-V404 PolarHBondContact O-N 3.44Å
401	K	98.2	Very high	96.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-40.5	172.1	-67.7	177	-174.3	-174.4	0	111.3	L391 D393 V396 S397 A398 Y399 V404 I405 A427 I429	L391-K401 HydrophobicContact CD2-CB 3.98Å; L391-K401 HydrophobicContact CD2-CG 4.25Å; L391-K401 WeakPolarHBondContact O-CD 3.31Å; L391-K401 WeakPolarHBondContact O-CE 3.44Å; L391-K401 PolarHBondContact O-NZ 3.33Å; D393-K401 WeakPolarHBondContact O-CE 3.33Å; D393-K401 PolarHBondContact O-NZ 3.29Å; V396-K401 HydrophobicContact CB-CG 4.36Å; V396-K401 HydrophobicContact CG1-CG 3.82Å; V396-K401 VanDerWaalsContact O-CE 3.25Å; V396-K401 WeakPolarHBondContact O-CE 3.23Å; S397-K401 WeakPolarHBondContact O-CG 3.43Å; S397-K401 PolarHBondContact O-N 3.23Å; A398-K401 PolarHBondContact O-N 3.03Å; Y399-K401 PolarHBondContact O-N 3.09Å; K401-V404 PolarHBondContact O-N 3.45Å; K401-I405 VanDerWaalsContact O-CG1 3.29Å; K401-I405 WeakPolarHBondContact O-CG1 3.43Å; K401-I405 PolarHBondContact O-N 3.03Å; K401-A427 HydrophobicContact CB-CB 4.46Å; K401-A427 HydrophobicContact CD-CB 4.13Å; K401-A427 WeakPolarHBondContact CD-O 3.44Å; K401-A427 PolarHBondContact NZ-O 2.93Å; K401-I429 HydrophobicContact CB-CD1 3.83Å; K401-I429 HydrophobicContact CD-CD1 4.45Å
402	L	98.4	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-40.2	175.7	-77.7	162.1	0	0	0	112.4	A398 Y399 D400 V404 I405 L406 I429 Q433 I436 V437	A398-L402 WeakPolarHBondContact O-CB 3.32Å; A398-L402 WeakPolarHBondContact O-CD1 3.28Å; A398-L402 VanDerWaalsContact O-CG 3.27Å; A398-L402 WeakPolarHBondContact O-CG 3.4Å; A398-L402 PolarHBondContact O-N 3.03Å; Y399-L402 HydrophobicContact CD1-CD1 4.21Å; Y399-L402 WeakPolarHBondContact O-CB 3.45Å; Y399-L402 PolarHBondContact O-N 3.36Å; Y399-L402 VanDerWaalsContact O-N 3.16Å; D400-L402 VanDerWaalsContact C-N 3.29Å; D400-L402 PolarHBondContact O-N 3.3Å; L402-V404 VanDerWaalsContact C-N 3.32Å; L402-V404 PolarHBondContact O-N 3.06Å; L402-I405 PolarHBondContact O-N 3.44Å; L402-L406 WeakPolarHBondContact O-CB 3.43Å; L402-L406 WeakPolarHBondContact O-CD1 3.18Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.41Å; L402-I429 HydrophobicContact CD1-CG2 4.23Å; L402-I429 HydrophobicContact CD2-CG1 4.47Å; L402-I429 HydrophobicContact CD2-CG2 4.12Å; L402-I429 HydrophobicContact CG-CD1 4.05Å; L402-I429 HydrophobicContact CG-CG2 4.29Å; L402-Q433 HydrophobicContact CD1-CB 4.09Å; L402-I436 HydrophobicContact CD1-CD1 3.68Å; L402-I436 HydrophobicContact CD2-CB 4.4Å; L402-V437 HydrophobicContact CD2-CG2 3.92Å
403	R	98.2	Very high	96.5	Very high	8 Å²	8	29 Å²	29	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-55	-49.3	173.5	-65.7	162.7	81.5	158.9	6.1	110.5	I239 L240 H241 D251 E366 Y399 D400 L406 L407 L590	I239-R403 HydrophobicContact CB-CG 4.36Å; I239-R403 WeakPolarHBondContact O-CG 3.27Å; I239-R403 PolarHBondContact O-NE 2.78Å; L240-R403 PolarHBondContact O-NH2 2.82Å; H241-R403 PolarHBondContact CE1-NH1 2.95Å; H241-R403 VanDerWaalsContact CG-NH2 3.34Å; H241-R403 PolarHBondContact ND1-NH2 3.22Å; H241-R403 PolarHBondContact NE2-NH1 2.69Å; D251-R403 IonicContact OD1-CZ 3.16Å; D251-R403 IonicContact OD1-NH1 3.28Å; D251-R403 PolarHBondContact OD1-NH1 3.38Å; D251-R403 IonicContact OD1-NH2 3.85Å; D251-R403 IonicContact OD2-CZ 2.72Å; D251-R403 IonicContact OD2-NH1 2.65Å; D251-R403 IonicContact OD2-NH2 3.01Å; D251-R403 PolarHBondContact OD2-NH2 2.87Å; E366-R403 IonicContact OE1-NE 2.75Å; Y399-R403 WeakPolarHBondContact O-CG 3.03Å; Y399-R403 PolarHBondContact O-N 3.06Å; D400-R403 WeakPolarHBondContact O-CB 3.42Å; D400-R403 PolarHBondContact O-N 3.2Å; D400-R403 IonicContact OD1-NH1 3.43Å; D400-R403 PolarHBondContact OD1-NH1 2.76Å; R403-L406 PolarHBondContact O-N 3.39Å; R403-L407 VanDerWaalsContact O-CG 3.3Å; R403-L407 WeakPolarHBondContact O-CG 3.05Å; R403-L407 PolarHBondContact O-N 3.47Å; R403-L590 HydrophobicContact CG-CD1 3.95Å
404	V	98.3	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-43.7	178.4	173.7	0	0	0	0	112.2	V365 E366 L369 M387 I390 L391 D400 K401 L402 Y408	V365-V404 HydrophobicContact CG1-CG1 4.27Å; E366-V404 HydrophobicContact CG-CG2 4.34Å; L369-V404 HydrophobicContact CD1-CG1 3.9Å; M387-V404 HydrophobicContact CB-CG1 4.21Å; M387-V404 HydrophobicContact CE-CG1 3.93Å; M387-V404 HydrophobicContact CG-CG1 3.76Å; I390-V404 HydrophobicContact CD1-CG2 4.45Å; I390-V404 HydrophobicContact CG2-CG2 4.26Å; L391-V404 HydrophobicContact CD2-CG1 4.46Å; D400-V404 PolarHBondContact O-N 3.44Å; K401-V404 PolarHBondContact O-N 3.45Å; L402-V404 VanDerWaalsContact C-N 3.32Å; L402-V404 PolarHBondContact O-N 3.06Å; V404-Y408 PolarHBondContact O-N 3.08Å; V404-Y408 VanDerWaalsContact O-N 3.12Å
405	I	98.2	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-44.5	176.6	-67.6	166.2	0	0	0	110.9	L391 K401 L402 Y408 V409 L420 L423 A427 I429 V437	L391-I405 HydrophobicContact CD1-CG1 4.41Å; L391-I405 HydrophobicContact CD2-CD1 4.07Å; L391-I405 HydrophobicContact CD2-CG1 3.85Å; K401-I405 VanDerWaalsContact O-CG1 3.29Å; K401-I405 WeakPolarHBondContact O-CG1 3.43Å; K401-I405 PolarHBondContact O-N 3.03Å; L402-I405 PolarHBondContact O-N 3.44Å; I405-Y408 WeakPolarHBondContact O-CB 3.37Å; I405-Y408 PolarHBondContact O-N 2.74Å; I405-V409 HydrophobicContact CG2-CG2 4.27Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 3.14Å; I405-V409 PolarHBondContact O-N 3.33Å; I405-L420 HydrophobicContact CG2-CD1 4.3Å; I405-L423 HydrophobicContact CD1-CB 4.49Å; I405-A427 HydrophobicContact CD1-CB 4.09Å; I405-I429 HydrophobicContact CD1-CG1 4.36Å; I405-V437 HydrophobicContact CG2-CG1 4.4Å; I405-V437 HydrophobicContact CG2-CG2 3.81Å
406	L	98.4	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-48.3	179.1	-73.1	165.1	0	0	0	111.1	I239 L402 R403 Y408 V409 I410 I436 V437 L440 L590	I239-L406 HydrophobicContact CD1-CB 3.63Å; I239-L406 HydrophobicContact CD1-CD1 4.44Å; I239-L406 HydrophobicContact CG2-CD1 4.31Å; L402-L406 WeakPolarHBondContact O-CB 3.43Å; L402-L406 WeakPolarHBondContact O-CD1 3.18Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.41Å; R403-L406 PolarHBondContact O-N 3.39Å; L406-Y408 VanDerWaalsContact C-N 3.29Å; L406-Y408 PolarHBondContact O-N 3.09Å; L406-V409 PolarHBondContact O-N 3.47Å; L406-V409 VanDerWaalsContact O-N 3.17Å; L406-I410 HydrophobicContact CB-CD1 4.5Å; L406-I410 WeakPolarHBondContact O-CB 3.44Å; L406-I410 WeakPolarHBondContact O-CD1 3.33Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.43Å; L406-I436 HydrophobicContact CD1-CG2 4.14Å; L406-I436 HydrophobicContact CD2-CG2 4.48Å; L406-V437 HydrophobicContact CD2-CB 4.34Å; L406-V437 HydrophobicContact CD2-CG1 4.39Å; L406-V437 HydrophobicContact CD2-CG2 4.18Å; L406-V437 HydrophobicContact CG-CG2 4.48Å; L406-L440 HydrophobicContact CD2-CD1 3.4Å; L406-L440 HydrophobicContact CD2-CD2 4.26Å; L406-L440 HydrophobicContact CD2-CG 3.65Å; L406-L590 HydrophobicContact CD1-CD2 3.25Å
407	L	98.3	Very high	96.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-56.8	-43.7	176.6	-70.7	168.2	0	0	0	111.6	I236 I239 L240 E366 L369 A370 R403 Q411	I236-L407 HydrophobicContact CG2-CD2 3.86Å; I239-L407 HydrophobicContact CD1-CD2 3.73Å; I239-L407 HydrophobicContact CD1-CG 3.74Å; I239-L407 HydrophobicContact CG1-CD2 3.98Å; I239-L407 HydrophobicContact CG1-CG 4.24Å; L240-L407 HydrophobicContact CD2-CD1 3.7Å; L240-L407 HydrophobicContact CD2-CD2 3.88Å; L240-L407 HydrophobicContact CD2-CG 4.45Å; L240-L407 HydrophobicContact CG-CD2 4.31Å; E366-L407 HydrophobicContact CB-CD1 3.79Å; E366-L407 HydrophobicContact CG-CD1 3.74Å; L369-L407 HydrophobicContact CB-CB 3.76Å; L369-L407 HydrophobicContact CD1-CB 4.05Å; L369-L407 HydrophobicContact CG-CB 4.5Å; A370-L407 HydrophobicContact CB-CD2 4.24Å; R403-L407 VanDerWaalsContact O-CG 3.3Å; R403-L407 WeakPolarHBondContact O-CG 3.05Å; R403-L407 PolarHBondContact O-N 3.47Å; L407-Q411 WeakPolarHBondContact O-CB 3.41Å; L407-Q411 PolarHBondContact O-N 3.22Å
408	Y	97.3	Very high	96.1	Very high	22 Å²	22	27.4 Å²	27.4	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-46.6	175.6	174	-109.5	0	0	0	113.2	L369 H383 M384 M387 V404 I405 L406 Q411 R412 I415 L423	L369-Y408 HydrophobicContact CD2-CD2 4.15Å; H383-Y408 HydrophobicContact CB-CD2 3.94Å; H383-Y408 HydrophobicContact CB-CE2 3.92Å; M384-Y408 HydrophobicContact CE-CD1 4.06Å; M384-Y408 HydrophobicContact CE-CD2 3.92Å; M384-Y408 HydrophobicContact CE-CE1 3.7Å; M384-Y408 HydrophobicContact CE-CE2 3.56Å; M384-Y408 HydrophobicContact CE-CG 4.16Å; M384-Y408 VanDerWaalsContact CE-CZ 3.45Å; M387-Y408 HydrophobicContact CE-CD1 4Å; M387-Y408 HydrophobicContact CE-CD2 4.16Å; M387-Y408 HydrophobicContact CE-CG 3.57Å; M387-Y408 VanDerWaalsContact SD-CB 3.59Å; M387-Y408 HydrophobicContact SD-CD1 4.43Å; M387-Y408 HydrophobicContact SD-CD2 3.53Å; M387-Y408 VanDerWaalsContact SD-CD2 3.53Å; M387-Y408 HydrophobicContact SD-CE2 4.34Å; M387-Y408 HydrophobicContact SD-CG 3.59Å; M387-Y408 VanDerWaalsContact SD-CG 3.59Å; V404-Y408 PolarHBondContact O-N 3.08Å; V404-Y408 VanDerWaalsContact O-N 3.12Å; I405-Y408 WeakPolarHBondContact O-CB 3.37Å; I405-Y408 PolarHBondContact O-N 2.74Å; L406-Y408 VanDerWaalsContact C-N 3.29Å; L406-Y408 PolarHBondContact O-N 3.09Å; Y408-Q411 PolarHBondContact O-N 3.19Å; Y408-R412 HydrophobicContact CD2-CG 4.24Å; Y408-R412 HydrophobicContact CE1-CG 4.47Å; Y408-R412 HydrophobicContact CE2-CG 3.8Å; Y408-R412 WeakPolarHBondContact O-CB 3.47Å; Y408-R412 VanDerWaalsContact O-CG 3.31Å; Y408-R412 WeakPolarHBondContact O-CG 3.4Å; Y408-R412 PolarHBondContact O-N 3.28Å; Y408-I415 HydrophobicContact CD1-CG2 4.43Å; Y408-I415 HydrophobicContact CE1-CD1 4.32Å; Y408-I415 HydrophobicContact CE1-CG2 3.8Å; Y408-L423 HydrophobicContact CD1-CD1 3.99Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å
409	V	96.2	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-45	-179.9	170	0	0	0	0	111	I405 L406 Q411 R412 G413 G414 I415 V437 A447	I405-V409 HydrophobicContact CG2-CG2 4.27Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 3.14Å; I405-V409 PolarHBondContact O-N 3.33Å; L406-V409 PolarHBondContact O-N 3.47Å; L406-V409 VanDerWaalsContact O-N 3.17Å; V409-Q411 PolarHBondContact O-N 3.26Å; V409-R412 PolarHBondContact O-N 3.04Å; V409-G413 PolarHBondContact O-N 3.3Å; V409-G413 VanDerWaalsContact O-N 3.15Å; V409-G414 PolarHBondContact O-N 3.02Å; V409-I415 HydrophobicContact CG2-CD1 3.74Å; V409-I415 HydrophobicContact CG2-CG1 3.96Å; V409-I415 HydrophobicContact CG2-CG2 4.5Å; V409-V437 HydrophobicContact CB-CG1 4.39Å; V409-V437 HydrophobicContact CG1-CG1 4.27Å; V409-V437 HydrophobicContact CG2-CG1 3.93Å; V409-A447 HydrophobicContact CG1-CB 4.05Å; V409-A447 WeakPolarHBondContact CG1-O 3.24Å
410	I	96	Very high	95.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-48.5	177	-68.2	162.7	0	0	0	110	P235 I236 I239 L406 R412 G413 L440 V445 Y465 L466	P235-I410 HydrophobicContact CB-CD1 3.82Å; P235-I410 HydrophobicContact CB-CG1 4.47Å; P235-I410 HydrophobicContact CG-CD1 4.03Å; P235-I410 HydrophobicContact CG-CG1 4.34Å; P235-I410 HydrophobicContact CG-CG2 4.1Å; I236-I410 HydrophobicContact CD1-CG2 3.94Å; I236-I410 HydrophobicContact CG1-CD1 4.4Å; I236-I410 HydrophobicContact CG1-CG2 3.83Å; I239-I410 HydrophobicContact CD1-CD1 3.98Å; L406-I410 HydrophobicContact CB-CD1 4.5Å; L406-I410 WeakPolarHBondContact O-CB 3.44Å; L406-I410 WeakPolarHBondContact O-CD1 3.33Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.43Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.35Å; I410-G413 PolarHBondContact O-N 3.36Å; I410-L440 HydrophobicContact CD1-CD1 4.11Å; I410-L440 HydrophobicContact CG1-CD1 3.81Å; I410-V445 HydrophobicContact CG1-CG1 4.07Å; I410-Y465 HydrophobicContact CG2-CD2 4.3Å; I410-Y465 HydrophobicContact CG2-CE2 3.61Å; I410-L466 HydrophobicContact CG2-CD2 4.16Å
411	Q	93.5	Very high	95.8	Very high	48 Å²	48	29.1 Å²	29.1	22%	0.224	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-30.8	-178	-176.3	61.1	-1.6	0	0	113.2	L369 L407 Y408 V409 G413	L369-Q411 WeakPolarHBondContact O-CG 3.29Å; L407-Q411 WeakPolarHBondContact O-CB 3.41Å; L407-Q411 PolarHBondContact O-N 3.22Å; Y408-Q411 PolarHBondContact O-N 3.19Å; V409-Q411 PolarHBondContact O-N 3.26Å; Q411-G413 VanDerWaalsContact C-N 3.33Å
412	R	92.4	Very high	95.7	Very high	111 Å²	111	33.6 Å²	33.6	42%	0.419	17%	0.166	S	C	.	.	H	α-helix	trans	-80.8	-11.7	174.6	-70.5	-72.8	-169.5	174.1	0.5	113.6	Y408 V409 I410 G414 I415 Q449 K460	Y408-R412 HydrophobicContact CD2-CG 4.24Å; Y408-R412 HydrophobicContact CE1-CG 4.47Å; Y408-R412 HydrophobicContact CE2-CG 3.8Å; Y408-R412 WeakPolarHBondContact O-CB 3.47Å; Y408-R412 VanDerWaalsContact O-CG 3.31Å; Y408-R412 WeakPolarHBondContact O-CG 3.4Å; Y408-R412 PolarHBondContact O-N 3.28Å; V409-R412 PolarHBondContact O-N 3.04Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.35Å; R412-G414 WeakPolarHBondContact CB-O 3.48Å; R412-I415 HydrophobicContact CB-CG2 4.04Å; R412-I415 HydrophobicContact CG-CG2 4.29Å; R412-Q449 PolarHBondContact O-NE2 3.45Å; R412-K460 PolarHBondContact O-NZ 3.25Å
413	G	91.7	Very high	95.6	Very high	16 Å²	16	34.4 Å²	34.4	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	53	-168.7	0	0	0	0	0	110.5	V409 I410 Q411 Q449	V409-G413 PolarHBondContact O-N 3.3Å; V409-G413 VanDerWaalsContact O-N 3.15Å; I410-G413 PolarHBondContact O-N 3.36Å; Q411-G413 VanDerWaalsContact C-N 3.33Å; G413-Q449 PolarHBondContact O-NE2 3.38Å
414	G	93.2	Very high	95.5	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.175	C	C	.	.			trans	86.8	162.9	-175.4	0	0	0	0	0	114.5	V409 R412 P446 A447 Q449	V409-G414 PolarHBondContact O-N 3.02Å; R412-G414 WeakPolarHBondContact CB-O 3.48Å; G414-P446 PolarHBondContact N-O 3.15Å; G414-A447 CarbonylContact C-O 3.56Å; G414-A447 WeakPolarHBondContact CA-O 3.29Å; G414-Q449 VanDerWaalsContact O-CD 3.23Å; G414-Q449 PolarHBondContact O-NE2 3.39Å
415	I	93.9	Very high	95.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-136.2	166.7	174	61.7	174.6	0	0	0	110.5	Y408 V409 R412 N419 L420 L423 A447 I448 Q449	Y408-I415 HydrophobicContact CD1-CG2 4.43Å; Y408-I415 HydrophobicContact CE1-CD1 4.32Å; Y408-I415 HydrophobicContact CE1-CG2 3.8Å; V409-I415 HydrophobicContact CG2-CD1 3.74Å; V409-I415 HydrophobicContact CG2-CG1 3.96Å; V409-I415 HydrophobicContact CG2-CG2 4.5Å; R412-I415 HydrophobicContact CB-CG2 4.04Å; R412-I415 HydrophobicContact CG-CG2 4.29Å; I415-N419 HydrophobicContact CD1-CB 4.4Å; I415-L420 HydrophobicContact CD1-CB 3.84Å; I415-L420 HydrophobicContact CD1-CD1 4.25Å; I415-L420 HydrophobicContact CG1-CB 4.18Å; I415-L423 HydrophobicContact CD1-CD1 3.83Å; I415-A447 PolarHBondContact N-O 2.88Å; I415-I448 CarbonylContact O-C 3.51Å; I415-I448 VanDerWaalsContact O-CA 3.3Å; I415-I448 WeakPolarHBondContact O-CA 3.37Å; I415-Q449 PolarHBondContact O-N 3.48Å
416	N	94.6	Very high	95.2	Very high	62 Å²	62	47.6 Å²	47.6	33%	0.332	23%	0.233	S	C	.	.			trans	-70.6	157.9	175.4	70.4	20.8	0	0	0	111.7	E418 N419 L420	N416-E418 VanDerWaalsContact C-N 3.32Å; N416-E418 PolarHBondContact O-N 3.33Å; N416-N419 PolarHBondContact ND2-ND2 2.9Å; N416-N419 PolarHBondContact O-N 3.01Å; N416-N419 WeakPolarHBondContact OD1-CA 3.43Å; N416-N419 WeakPolarHBondContact OD1-CB 3.46Å; N416-N419 PolarHBondContact OD1-N 3.19Å; N416-N419 PolarHBondContact OD1-ND2 3.19Å; N416-N419 VanDerWaalsContact OD1-ND2 3.1Å; N416-N419 PolarHBondContact OD1-OD1 2.96Å; N416-L420 PolarHBondContact O-N 2.93Å; N416-L420 VanDerWaalsContact O-N 3.09Å
417	E	94	Very high	95.1	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-40.1	-176.3	-164.7	63.5	-148	0	0	112.3	N419 L420 A421 R438 I448	E417-N419 PolarHBondContact O-N 3.04Å; E417-L420 PolarHBondContact O-N 3.22Å; E417-A421 WeakPolarHBondContact O-CB 3.06Å; E417-A421 PolarHBondContact O-N 3.09Å; E417-R438 IonicContact OE1-CZ 3.16Å; E417-R438 IonicContact OE1-NE 2.85Å; E417-R438 PolarHBondContact OE1-NE 3.3Å; E417-R438 IonicContact OE1-NH2 2.65Å; E417-R438 PolarHBondContact OE1-NH2 3.13Å; E417-R438 IonicContact OE2-NE 3.94Å; E417-I448 VanDerWaalsContact OE2-CD1 3.28Å; E417-I448 WeakPolarHBondContact OE2-CD1 3.28Å
418	E	94.8	Very high	95.1	Very high	133 Å²	133	53.4 Å²	53.4	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-63.8	-41.7	179.8	-65.4	179.6	-169.8	0	0	112.7	N416 A421 K422	N416-E418 VanDerWaalsContact C-N 3.32Å; N416-E418 PolarHBondContact O-N 3.33Å; E418-A421 PolarHBondContact O-N 3.12Å; E418-K422 VanDerWaalsContact O-CG 3.29Å; E418-K422 WeakPolarHBondContact O-CG 3.48Å; E418-K422 PolarHBondContact O-N 3.19Å
419	N	94.2	Very high	95.1	Very high	66 Å²	66	53 Å²	53	35%	0.353	26%	0.26	S	S	.	.	H	α-helix	trans	-70.4	-37.7	177.8	-68.6	-17.6	0	0	0	110.5	I415 N416 E417 K422 L423	I415-N419 HydrophobicContact CD1-CB 4.4Å; N416-N419 PolarHBondContact ND2-ND2 2.9Å; N416-N419 PolarHBondContact O-N 3.01Å; N416-N419 WeakPolarHBondContact OD1-CA 3.43Å; N416-N419 WeakPolarHBondContact OD1-CB 3.46Å; N416-N419 PolarHBondContact OD1-N 3.19Å; N416-N419 PolarHBondContact OD1-ND2 3.19Å; N416-N419 VanDerWaalsContact OD1-ND2 3.1Å; N416-N419 PolarHBondContact OD1-OD1 2.96Å; E417-N419 PolarHBondContact O-N 3.04Å; N419-K422 PolarHBondContact O-N 3.1Å; N419-L423 WeakPolarHBondContact O-CG 3.43Å; N419-L423 PolarHBondContact O-N 3.3Å
420	L	95.7	Very high	95	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-47.7	173.4	-179.9	60	0	0	0	110.8	I405 I415 N416 E417 K422 L423 V424 V437 R438 I448	I405-L420 HydrophobicContact CG2-CD1 4.3Å; I415-L420 HydrophobicContact CD1-CB 3.84Å; I415-L420 HydrophobicContact CD1-CD1 4.25Å; I415-L420 HydrophobicContact CG1-CB 4.18Å; N416-L420 PolarHBondContact O-N 2.93Å; N416-L420 VanDerWaalsContact O-N 3.09Å; E417-L420 PolarHBondContact O-N 3.22Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.42Å; L420-L423 PolarHBondContact O-N 2.9Å; L420-L423 VanDerWaalsContact O-N 3.16Å; L420-V424 HydrophobicContact CD1-CG2 4.01Å; L420-V424 HydrophobicContact CG-CG2 4.28Å; L420-V424 WeakPolarHBondContact O-CB 3.42Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.17Å; L420-V437 HydrophobicContact CD1-CB 4.02Å; L420-V437 HydrophobicContact CD1-CG1 3.66Å; L420-V437 HydrophobicContact CD1-CG2 4.24Å; L420-V437 HydrophobicContact CD2-CB 4.34Å; L420-V437 HydrophobicContact CD2-CG1 4.13Å; L420-R438 HydrophobicContact CD2-CG 3.96Å; L420-I448 HydrophobicContact CB-CD1 4.41Å; L420-I448 HydrophobicContact CD2-CD1 3.5Å; L420-I448 VanDerWaalsContact CD2-CD1 3.5Å
421	A	95.7	Very high	94.7	Very high	46 Å²	46	61 Å²	61	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-57.7	-43.7	177.9	0	0	0	0	0	111.7	E417 E418 V424 Q425	E417-A421 WeakPolarHBondContact O-CB 3.06Å; E417-A421 PolarHBondContact O-N 3.09Å; E418-A421 PolarHBondContact O-N 3.12Å; A421-V424 PolarHBondContact O-N 2.89Å; A421-Q425 VanDerWaalsContact O-CB 3.25Å; A421-Q425 WeakPolarHBondContact O-CB 3.2Å; A421-Q425 PolarHBondContact O-N 3.48Å
422	K	95.8	Very high	94.6	Very high	103 Å²	103	59.9 Å²	59.9	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-45.8	174.5	-73.4	169.7	-174	168.6	0	112.2	E418 N419 L420 Q425 H426	E418-K422 VanDerWaalsContact O-CG 3.29Å; E418-K422 WeakPolarHBondContact O-CG 3.48Å; E418-K422 PolarHBondContact O-N 3.19Å; N419-K422 PolarHBondContact O-N 3.1Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.42Å; K422-Q425 PolarHBondContact O-N 3.47Å; K422-H426 WeakPolarHBondContact O-CB 3.18Å; K422-H426 PolarHBondContact O-CD2 3.03Å; K422-H426 PolarHBondContact O-N 3.26Å
423	L	96.5	Very high	94.7	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-47.8	178.1	-73.6	172.3	0	0	0	111.4	M384 L391 I405 Y408 I415 N419 L420 Q425 H426 A427	M384-L423 HydrophobicContact CE-CD2 4.29Å; M384-L423 HydrophobicContact SD-CD2 4.03Å; L391-L423 HydrophobicContact CD1-CD2 3.74Å; I405-L423 HydrophobicContact CD1-CB 4.49Å; Y408-L423 HydrophobicContact CD1-CD1 3.99Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å; I415-L423 HydrophobicContact CD1-CD1 3.83Å; N419-L423 WeakPolarHBondContact O-CG 3.43Å; N419-L423 PolarHBondContact O-N 3.3Å; L420-L423 PolarHBondContact O-N 2.9Å; L420-L423 VanDerWaalsContact O-N 3.16Å; L423-Q425 VanDerWaalsContact C-N 3.33Å; L423-Q425 PolarHBondContact O-N 2.99Å; L423-H426 PolarHBondContact O-N 2.84Å; L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.41Å
424	V	96.8	Very high	94.8	Very high	20 Å²	20	55.7 Å²	55.7	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-44.7	177.2	167.9	0	0	0	0	110.9	L420 A421 Q428 I429 A434	L420-V424 HydrophobicContact CD1-CG2 4.01Å; L420-V424 HydrophobicContact CG-CG2 4.28Å; L420-V424 WeakPolarHBondContact O-CB 3.42Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.17Å; A421-V424 PolarHBondContact O-N 2.89Å; V424-Q428 PolarHBondContact O-N 3.14Å; V424-Q428 VanDerWaalsContact O-N 3.16Å; V424-I429 HydrophobicContact CG1-CB 4.08Å; V424-I429 PolarHBondContact O-N 3.44Å; V424-A434 HydrophobicContact CG1-CB 3.74Å
425	Q	96.1	Very high	94.9	Very high	141 Å²	141	56.6 Å²	56.6	66%	0.659	30%	0.302	S	S	*	.	H	α-helix	trans	-66.4	-50.6	179.2	-175.9	-177.6	6.1	0	0	112.3	A421 K422 L423 A427 Q428	A421-Q425 VanDerWaalsContact O-CB 3.25Å; A421-Q425 WeakPolarHBondContact O-CB 3.2Å; A421-Q425 PolarHBondContact O-N 3.48Å; K422-Q425 PolarHBondContact O-N 3.47Å; L423-Q425 VanDerWaalsContact C-N 3.33Å; L423-Q425 PolarHBondContact O-N 2.99Å; Q425-A427 VanDerWaalsContact C-N 3.31Å; Q425-A427 PolarHBondContact O-N 3.14Å; Q425-Q428 PolarHBondContact O-N 3.32Å
426	H	94	Very high	95.1	Very high	123 Å²	123	56.2 Å²	56.2	57%	0.569	30%	0.3	S	S	*	.	H	α-helix	trans	-67.2	-32	-179	-74.3	-60.3	0	0	0	112.7	K422 L423 Q428	K422-H426 WeakPolarHBondContact O-CB 3.18Å; K422-H426 PolarHBondContact O-CD2 3.03Å; K422-H426 PolarHBondContact O-N 3.26Å; L423-H426 PolarHBondContact O-N 2.84Å; H426-Q428 PolarHBondContact O-N 3.15Å
427	A	97.1	Very high	95.2	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.6	173.7	0	0	0	0	0	113.4	L391 K401 I405 L423 Q425 I429	L391-A427 HydrophobicContact CB-CB 4.08Å; L391-A427 HydrophobicContact CD2-CB 4.1Å; L391-A427 WeakPolarHBondContact O-CA 3.49Å; K401-A427 HydrophobicContact CB-CB 4.46Å; K401-A427 HydrophobicContact CD-CB 4.13Å; K401-A427 WeakPolarHBondContact CD-O 3.44Å; K401-A427 PolarHBondContact NZ-O 2.93Å; I405-A427 HydrophobicContact CD1-CB 4.09Å; L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.41Å; Q425-A427 VanDerWaalsContact C-N 3.31Å; Q425-A427 PolarHBondContact O-N 3.14Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 HydrophobicContact CB-CD1 3.97Å; A427-I429 HydrophobicContact CB-CG1 3.87Å; A427-I429 PolarHBondContact O-N 2.64Å
428	Q	96.7	Very high	95.4	Very high	122 Å²	122	53.6 Å²	53.6	57%	0.57	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	40.8	-177.4	-60.9	173.3	-38.1	0	0	112.7	V424 Q425 H426	V424-Q428 PolarHBondContact O-N 3.14Å; V424-Q428 VanDerWaalsContact O-N 3.16Å; Q425-Q428 PolarHBondContact O-N 3.32Å; H426-Q428 PolarHBondContact O-N 3.15Å
429	I	97.4	Very high	95.5	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.067	26%	0.255	C	S	.	.			trans	-69.1	131	178.2	-57.2	-55.3	0	0	0	109.2	A398 K401 L402 I405 V424 A427 Q433	A398-I429 HydrophobicContact CB-CD1 4.26Å; K401-I429 HydrophobicContact CB-CD1 3.83Å; K401-I429 HydrophobicContact CD-CD1 4.45Å; L402-I429 HydrophobicContact CD1-CG2 4.23Å; L402-I429 HydrophobicContact CD2-CG1 4.47Å; L402-I429 HydrophobicContact CD2-CG2 4.12Å; L402-I429 HydrophobicContact CG-CD1 4.05Å; L402-I429 HydrophobicContact CG-CG2 4.29Å; I405-I429 HydrophobicContact CD1-CG1 4.36Å; V424-I429 HydrophobicContact CG1-CB 4.08Å; V424-I429 PolarHBondContact O-N 3.44Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 HydrophobicContact CB-CD1 3.97Å; A427-I429 HydrophobicContact CB-CG1 3.87Å; A427-I429 PolarHBondContact O-N 2.64Å; I429-Q433 HydrophobicContact CG2-CB 3.88Å
430	P	95.5	Very high	95.6	Very high	52 Å²	52	44.7 Å²	44.7	34%	0.338	24%	0.239	S	C	.	.			trans	-55.5	143.2	175.4	-25.4	34.1	0	0	0	112.6	A398 S432 Q433 A434	A398-P430 HydrophobicContact CB-CG 4.49Å; P430-S432 PolarHBondContact O-N 3Å; P430-S432 VanDerWaalsContact O-N 3.14Å; P430-Q433 PolarHBondContact O-N 2.9Å; P430-A434 PolarHBondContact O-N 2.83Å
431	S	89.6	Confident	95.6	Very high	117 Å²	117	49.4 Å²	49.4	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.9	-178	-54.7	0	0	0	0	113.7	Q433	S431-Q433 VanDerWaalsContact C-N 3.29Å; S431-Q433 PolarHBondContact O-N 3.09Å
432	S	90.9	Very high	95.6	Very high	26 Å²	26	49.7 Å²	49.7	18%	0.182	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-35.1	175.8	67.7	0	0	0	0	112.1	P430 C435 E594	P430-S432 PolarHBondContact O-N 3Å; P430-S432 VanDerWaalsContact O-N 3.14Å; S432-C435 PolarHBondContact O-SG 3.25Å; S432-E594 WeakPolarHBondContact CB-OE1 3.1Å; S432-E594 PolarHBondContact OG-OE1 2.85Å
433	Q	95.2	Very high	95.7	Very high	24 Å²	24	44.8 Å²	44.8	11%	0.112	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-17	-176.4	-68.3	179.6	-4.1	0	0	113.3	L402 I429 P430 S431 C435 I436 E594	L402-Q433 HydrophobicContact CD1-CB 4.09Å; I429-Q433 HydrophobicContact CG2-CB 3.88Å; P430-Q433 PolarHBondContact O-N 2.9Å; S431-Q433 VanDerWaalsContact C-N 3.29Å; S431-Q433 PolarHBondContact O-N 3.09Å; Q433-C435 PolarHBondContact O-N 2.72Å; Q433-I436 HydrophobicContact CB-CD1 3.89Å; Q433-I436 HydrophobicContact CG-CD1 4.16Å; Q433-I436 VanDerWaalsContact O-CB 3.29Å; Q433-I436 WeakPolarHBondContact O-CB 3.23Å; Q433-I436 VanDerWaalsContact O-CG1 3.3Å; Q433-I436 WeakPolarHBondContact O-CG1 3.26Å; Q433-I436 PolarHBondContact O-N 2.94Å; Q433-E594 WeakPolarHBondContact CG-OE1 3.37Å
434	A	93.2	Very high	95.6	Very high	14 Å²	14	46 Å²	46	12%	0.116	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.4	178.4	0	0	0	0	0	113.6	V424 P430 R438	V424-A434 HydrophobicContact CG1-CB 3.74Å; P430-A434 PolarHBondContact O-N 2.83Å; A434-R438 PolarHBondContact O-NH1 2.56Å
435	C	95.3	Very high	95.5	Very high	21 Å²	21	45.1 Å²	45.1	14%	0.142	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.1	175.7	67	0	0	0	0	114.1	S432 Q433 V437 R438 N439 S597	S432-C435 PolarHBondContact O-SG 3.25Å; Q433-C435 PolarHBondContact O-N 2.72Å; C435-V437 VanDerWaalsContact C-N 3.25Å; C435-V437 PolarHBondContact O-N 3.5Å; C435-V437 VanDerWaalsContact O-N 3.14Å; C435-R438 PolarHBondContact O-N 3.1Å; C435-N439 VanDerWaalsContact O-CG 3.26Å; C435-N439 PolarHBondContact O-N 3.39Å; C435-N439 PolarHBondContact O-OD1 2.82Å; C435-S597 WeakPolarHBondContact CB-OG 3.15Å; C435-S597 PolarHBondContact SG-OG 3.48Å
436	I	97.9	Very high	95.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.4	-43.5	-173.8	-72.1	167.7	0	0	0	111.8	Y399 L402 L406 Q433 N439 L590 L593 E594	Y399-I436 HydrophobicContact CE1-CD1 4.25Å; L402-I436 HydrophobicContact CD1-CD1 3.68Å; L402-I436 HydrophobicContact CD2-CB 4.4Å; L406-I436 HydrophobicContact CD1-CG2 4.14Å; L406-I436 HydrophobicContact CD2-CG2 4.48Å; Q433-I436 HydrophobicContact CB-CD1 3.89Å; Q433-I436 HydrophobicContact CG-CD1 4.16Å; Q433-I436 VanDerWaalsContact O-CB 3.29Å; Q433-I436 WeakPolarHBondContact O-CB 3.23Å; Q433-I436 VanDerWaalsContact O-CG1 3.3Å; Q433-I436 WeakPolarHBondContact O-CG1 3.26Å; Q433-I436 PolarHBondContact O-N 2.94Å; I436-N439 PolarHBondContact O-N 3.19Å; I436-L590 HydrophobicContact CG2-CD2 4.03Å; I436-L593 HydrophobicContact CG2-CB 4Å; I436-L593 HydrophobicContact CG2-CD1 4.03Å; I436-E594 HydrophobicContact CD1-CB 3.95Å; I436-E594 HydrophobicContact CD1-CG 4.39Å; I436-E594 HydrophobicContact CG1-CB 3.69Å; I436-E594 HydrophobicContact CG1-CG 4.25Å
437	V	97.8	Very high	95.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-41.8	-178.7	-175.7	0	0	0	0	111.8	L402 I405 L406 V409 L420 C435 N439 L440 A447	L402-V437 HydrophobicContact CD2-CG2 3.92Å; I405-V437 HydrophobicContact CG2-CG1 4.4Å; I405-V437 HydrophobicContact CG2-CG2 3.81Å; L406-V437 HydrophobicContact CD2-CB 4.34Å; L406-V437 HydrophobicContact CD2-CG1 4.39Å; L406-V437 HydrophobicContact CD2-CG2 4.18Å; L406-V437 HydrophobicContact CG-CG2 4.48Å; V409-V437 HydrophobicContact CB-CG1 4.39Å; V409-V437 HydrophobicContact CG1-CG1 4.27Å; V409-V437 HydrophobicContact CG2-CG1 3.93Å; L420-V437 HydrophobicContact CD1-CB 4.02Å; L420-V437 HydrophobicContact CD1-CG1 3.66Å; L420-V437 HydrophobicContact CD1-CG2 4.24Å; L420-V437 HydrophobicContact CD2-CB 4.34Å; L420-V437 HydrophobicContact CD2-CG1 4.13Å; C435-V437 VanDerWaalsContact C-N 3.25Å; C435-V437 PolarHBondContact O-N 3.5Å; C435-V437 VanDerWaalsContact O-N 3.14Å; V437-N439 VanDerWaalsContact C-N 3.3Å; V437-N439 PolarHBondContact O-N 3.13Å; V437-L440 WeakPolarHBondContact O-CB 3.29Å; V437-L440 PolarHBondContact O-N 3.18Å; V437-A447 VanDerWaalsContact O-CB 3.22Å; V437-A447 WeakPolarHBondContact O-CB 3.25Å
438	R	96.3	Very high	95.3	Very high	86 Å²	86	35.9 Å²	35.9	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-68.5	-34.1	177.5	-62.5	-171.1	-170.7	83.9	-3.8	111.2	E417 L420 A434 C435 L440 M441 I448	E417-R438 IonicContact OE1-CZ 3.16Å; E417-R438 IonicContact OE1-NE 2.85Å; E417-R438 PolarHBondContact OE1-NE 3.3Å; E417-R438 IonicContact OE1-NH2 2.65Å; E417-R438 PolarHBondContact OE1-NH2 3.13Å; E417-R438 IonicContact OE2-NE 3.94Å; L420-R438 HydrophobicContact CD2-CG 3.96Å; A434-R438 PolarHBondContact O-NH1 2.56Å; C435-R438 PolarHBondContact O-N 3.1Å; R438-L440 PolarHBondContact O-N 3.47Å; R438-L440 VanDerWaalsContact O-N 3.13Å; R438-M441 WeakPolarHBondContact O-CB 3.35Å; R438-M441 WeakPolarHBondContact O-CG 3.25Å; R438-M441 PolarHBondContact O-N 2.98Å; R438-I448 HydrophobicContact CG-CD1 4.42Å; R438-I448 HydrophobicContact CG-CG1 4.42Å
439	N	97.1	Very high	94.9	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-12.4	-176.9	-69.8	-6.1	0	0	0	113.8	C435 I436 V437 M441 H442 L593 L596 S597	C435-N439 VanDerWaalsContact O-CG 3.26Å; C435-N439 PolarHBondContact O-N 3.39Å; C435-N439 PolarHBondContact O-OD1 2.82Å; I436-N439 PolarHBondContact O-N 3.19Å; V437-N439 VanDerWaalsContact C-N 3.3Å; V437-N439 PolarHBondContact O-N 3.13Å; N439-M441 PolarHBondContact O-N 2.84Å; N439-H442 WeakPolarHBondContact O-CB 3.49Å; N439-H442 PolarHBondContact O-N 3.14Å; N439-H442 VanDerWaalsContact O-N 3.09Å; N439-L593 WeakPolarHBondContact CB-O 3.49Å; N439-L593 PolarHBondContact ND2-O 3.35Å; N439-L596 HydrophobicContact CB-CB 4.25Å; N439-L596 HydrophobicContact CB-CD1 4.12Å; N439-S597 PolarHBondContact ND2-OG 2.91Å
440	L	96.8	Very high	93.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53.3	-32.6	164.7	-81.3	-177.6	0	0	0	112.7	P235 L406 I410 V437 R438 H442 L443 V445 A447 L593	P235-L440 HydrophobicContact CB-CD2 4.37Å; L406-L440 HydrophobicContact CD2-CD1 3.4Å; L406-L440 HydrophobicContact CD2-CD2 4.26Å; L406-L440 HydrophobicContact CD2-CG 3.65Å; I410-L440 HydrophobicContact CD1-CD1 4.11Å; I410-L440 HydrophobicContact CG1-CD1 3.81Å; V437-L440 WeakPolarHBondContact O-CB 3.29Å; V437-L440 PolarHBondContact O-N 3.18Å; R438-L440 PolarHBondContact O-N 3.47Å; R438-L440 VanDerWaalsContact O-N 3.13Å; L440-H442 PolarHBondContact O-N 3.26Å; L440-L443 WeakPolarHBondContact O-CB 3.29Å; L440-L443 PolarHBondContact O-N 3.01Å; L440-V445 CarbonylContact C-O 3.57Å; L440-V445 HydrophobicContact CB-CB 4.14Å; L440-V445 HydrophobicContact CB-CG1 4.27Å; L440-V445 HydrophobicContact CD1-CG1 4.17Å; L440-V445 HydrophobicContact CD2-CB 4.48Å; L440-V445 HydrophobicContact CD2-CG1 4.4Å; L440-V445 WeakPolarHBondContact O-CB 3.36Å; L440-V445 PolarHBondContact O-N 3.47Å; L440-A447 HydrophobicContact CB-CB 4.2Å; L440-L593 HydrophobicContact CD2-CD1 4.21Å
441	M	95.9	Very high	91.9	Very high	99 Å²	99	41.6 Å²	41.6	49%	0.488	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27.5	180	-65.6	176.6	61.8	0	0	112.5	R438 N439 L443 G444 V445 A447 I448	R438-M441 WeakPolarHBondContact O-CB 3.35Å; R438-M441 WeakPolarHBondContact O-CG 3.25Å; R438-M441 PolarHBondContact O-N 2.98Å; N439-M441 PolarHBondContact O-N 2.84Å; M441-L443 PolarHBondContact O-N 3.22Å; M441-G444 PolarHBondContact O-N 3.01Å; M441-V445 WeakPolarHBondContact CA-O 3.37Å; M441-V445 PolarHBondContact N-O 2.82Å; M441-A447 HydrophobicContact CG-CB 3.67Å; M441-A447 HydrophobicContact SD-CB 4.11Å; M441-I448 HydrophobicContact SD-CB 4.08Å; M441-I448 HydrophobicContact SD-CG1 4.07Å
442	H	96.2	Very high	90.2	Very high	53 Å²	53	41 Å²	41	25%	0.245	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.8	-20.4	175.5	-64.7	-47.5	0	0	0	113.4	R157 N439 L440 G444 L596	R157-H442 PolarHBondContact NH2-O 3.35Å; N439-H442 WeakPolarHBondContact O-CB 3.49Å; N439-H442 PolarHBondContact O-N 3.14Å; N439-H442 VanDerWaalsContact O-N 3.09Å; L440-H442 PolarHBondContact O-N 3.26Å; H442-G444 VanDerWaalsContact C-N 3.32Å; H442-L596 HydrophobicContact CB-CD1 3.92Å
443	L	96.6	Very high	88	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-90.9	5	172.9	-76.4	63.5	0	0	0	111.7	F148 F152 R231 G232 L440 M441 V445 F589 L593 L596	F148-L443 HydrophobicContact CE1-CD1 4.39Å; F148-L443 HydrophobicContact CZ-CD1 3.99Å; F148-L443 HydrophobicContact CZ-CD2 4.19Å; F152-L443 HydrophobicContact CB-CD1 4.08Å; F152-L443 HydrophobicContact CD1-CB 4.46Å; F152-L443 HydrophobicContact CD1-CD1 3.96Å; F152-L443 HydrophobicContact CD1-CG 3.86Å; F152-L443 HydrophobicContact CD2-CD1 4.49Å; F152-L443 HydrophobicContact CE1-CB 4.5Å; F152-L443 HydrophobicContact CE1-CG 3.99Å; F152-L443 HydrophobicContact CG-CD1 3.92Å; F152-L443 HydrophobicContact CG-CG 4.19Å; F152-L443 HydrophobicContact CZ-CG 4.45Å; R231-L443 HydrophobicContact CB-CD2 4.25Å; R231-L443 HydrophobicContact CG-CD2 3.99Å; G232-L443 WeakPolarHBondContact CA-O 3.28Å; L440-L443 WeakPolarHBondContact O-CB 3.29Å; L440-L443 PolarHBondContact O-N 3.01Å; M441-L443 PolarHBondContact O-N 3.22Å; L443-V445 VanDerWaalsContact C-N 3.3Å; L443-V445 HydrophobicContact CB-CG2 4.32Å; L443-F589 HydrophobicContact CD2-CE2 4Å; L443-F589 HydrophobicContact CD2-CZ 3.96Å; L443-L593 HydrophobicContact CD1-CD2 3.8Å; L443-L593 HydrophobicContact CD2-CD2 4.11Å; L443-L596 HydrophobicContact CD1-CD1 3.85Å
444	G	94.4	Very high	85.8	Confident	43 Å²	43	44.5 Å²	44.5	44%	0.443	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.1	-175.9	0	0	0	0	0	114	M441 H442	M441-G444 PolarHBondContact O-N 3.01Å; H442-G444 VanDerWaalsContact C-N 3.32Å
445	V	95.6	Very high	83.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	30%	0.304	C	S	.	.			trans	-99.2	122.3	-179.7	177.7	0	0	0	0	109.5	P235 I410 L440 M441 L443 A447	P235-V445 HydrophobicContact CB-CG1 4.18Å; P235-V445 HydrophobicContact CB-CG2 3.86Å; P235-V445 HydrophobicContact CG-CG1 3.93Å; P235-V445 HydrophobicContact CG-CG2 3.81Å; I410-V445 HydrophobicContact CG1-CG1 4.07Å; L440-V445 CarbonylContact C-O 3.57Å; L440-V445 HydrophobicContact CB-CB 4.14Å; L440-V445 HydrophobicContact CB-CG1 4.27Å; L440-V445 HydrophobicContact CD1-CG1 4.17Å; L440-V445 HydrophobicContact CD2-CB 4.48Å; L440-V445 HydrophobicContact CD2-CG1 4.4Å; L440-V445 WeakPolarHBondContact O-CB 3.36Å; L440-V445 PolarHBondContact O-N 3.47Å; M441-V445 WeakPolarHBondContact CA-O 3.37Å; M441-V445 PolarHBondContact N-O 2.82Å; L443-V445 VanDerWaalsContact C-N 3.3Å; L443-V445 HydrophobicContact CB-CG2 4.32Å; V445-A447 PolarHBondContact O-N 2.96Å
446	P	94.1	Very high	80.7	Confident	41 Å²	41	53.9 Å²	53.9	27%	0.266	34%	0.343	S	S	.	.			trans	-62.3	121.6	-179.1	-23.1	33.5	0	0	0	112.4	G414	G414-P446 PolarHBondContact N-O 3.15Å
447	A	94.5	Very high	78.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	38%	0.382	C	S	.	.			trans	-115.7	-42.9	176.5	0	0	0	0	0	113.4	V409 G414 I415 V437 L440 M441 V445	V409-A447 HydrophobicContact CG1-CB 4.05Å; V409-A447 WeakPolarHBondContact CG1-O 3.24Å; G414-A447 CarbonylContact C-O 3.56Å; G414-A447 WeakPolarHBondContact CA-O 3.29Å; I415-A447 PolarHBondContact N-O 2.88Å; V437-A447 VanDerWaalsContact O-CB 3.22Å; V437-A447 WeakPolarHBondContact O-CB 3.25Å; L440-A447 HydrophobicContact CB-CB 4.2Å; M441-A447 HydrophobicContact CG-CB 3.67Å; M441-A447 HydrophobicContact SD-CB 4.11Å; V445-A447 PolarHBondContact O-N 2.96Å
448	I	94.1	Very high	76	Confident	30 Å²	30	67.6 Å²	67.6	15%	0.154	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-109.4	136.1	178.4	-55.9	-57.9	0	0	0	110.5	I415 E417 L420 R438 M441	I415-I448 CarbonylContact O-C 3.51Å; I415-I448 VanDerWaalsContact O-CA 3.3Å; I415-I448 WeakPolarHBondContact O-CA 3.37Å; E417-I448 VanDerWaalsContact OE2-CD1 3.28Å; E417-I448 WeakPolarHBondContact OE2-CD1 3.28Å; L420-I448 HydrophobicContact CB-CD1 4.41Å; L420-I448 HydrophobicContact CD2-CD1 3.5Å; L420-I448 VanDerWaalsContact CD2-CD1 3.5Å; R438-I448 HydrophobicContact CG-CD1 4.42Å; R438-I448 HydrophobicContact CG-CG1 4.42Å; M441-I448 HydrophobicContact SD-CB 4.08Å; M441-I448 HydrophobicContact SD-CG1 4.07Å
449	Q	88.4	Confident	74.1	Confident	75 Å²	75	74.9 Å²	74.9	35%	0.35	45%	0.447	S	S	.	.			trans	-99.4	116.8	168.3	-70.8	174.5	1.7	0	0	108.7	R412 G413 G414 I415	R412-Q449 PolarHBondContact O-NE2 3.45Å; G413-Q449 PolarHBondContact O-NE2 3.38Å; G414-Q449 VanDerWaalsContact O-CD 3.23Å; G414-Q449 PolarHBondContact O-NE2 3.39Å; I415-Q449 PolarHBondContact O-N 3.48Å
450	D	71.8	Confident	72.7	Confident	109 Å²	109	80.7 Å²	80.7	58%	0.583	47%	0.472	S	S	*	.			trans	-68.4	140.6	171.3	-67.6	-31	0	0	0	110.5	S452 G453	D450-S452 PolarHBondContact O-N 3Å; D450-S452 VanDerWaalsContact O-N 3.15Å; D450-G453 PolarHBondContact O-N 3.21Å
451	A	58.1	Low	71.6	Confident	123 Å²	123	87.5 Å²	87.5	100%	1.017	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	172.6	0	0	0	0	0	112.6
452	S	53.2	Low	71	Confident	105 Å²	105	87 Å²	87	73%	0.734	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.6	176	54.4	0	0	0	0	114.1	D450	D450-S452 PolarHBondContact O-N 3Å; D450-S452 VanDerWaalsContact O-N 3.15Å
453	G	46	Very low	70.8	Confident	52 Å²	52	85.9 Å²	85.9	54%	0.536	51%	0.507	S	S	.	.	S	Bend	trans	-96.7	3.9	-158.1	0	0	0	0	0	117.8	D450	D450-G453 PolarHBondContact O-N 3.21Å
454	A	47.8	Very low	70.6	Confident	71 Å²	71	86.6 Å²	86.6	59%	0.587	51%	0.511	S	S	*	.	S	Bend	trans	-125.9	74.3	157.4	0	0	0	0	0	107.4	I456	A454-I456 PolarHBondContact O-N 3.09Å
455	G	41.8	Very low	70.7	Confident	44 Å²	44	84.6 Å²	84.6	45%	0.454	49%	0.49	S	S	.	.			trans	-43.7	130.4	164	0	0	0	0	0	108.2	G457 R458	G455-G457 PolarHBondContact O-N 3.24Å; G455-R458 PolarHBondContact O-N 3.33Å
456	I	40.7	Very low	70.7	Confident	188 Å²	188	85.9 Å²	85.9	96%	0.964	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	109.3	-177.5	-62.9	169.9	0	0	0	108.3	A454	A454-I456 PolarHBondContact O-N 3.09Å
457	G	47.2	Very low	70.6	Confident	79 Å²	79	85.5 Å²	85.5	81%	0.814	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.9	-11	179.2	0	0	0	0	0	118.3	G455 R459	G455-G457 PolarHBondContact O-N 3.24Å; G457-R459 PolarHBondContact O-N 3.43Å; G457-R459 VanDerWaalsContact O-N 3.15Å
458	R	49.9	Very low	70.5	Confident	210 Å²	210	90.1 Å²	90.1	79%	0.792	53%	0.533	S	S	*	.			trans	-76.9	100.8	169	-85.5	-172.9	176.4	179.5	-0.2	110.2	G455 K460	G455-R458 PolarHBondContact O-N 3.33Å; R458-K460 PolarHBondContact O-N 3.19Å
459	R	56.8	Low	70.5	Confident	238 Å²	238	92.7 Å²	92.7	90%	0.898	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55.3	130.7	168.9	-99	179.5	174.6	161.3	-1.5	109.3	G457 L461	G457-R459 PolarHBondContact O-N 3.43Å; G457-R459 VanDerWaalsContact O-N 3.15Å; R459-L461 PolarHBondContact O-N 2.72Å
460	K	67.3	Low	70.7	Confident	132 Å²	132	90.7 Å²	90.7	57%	0.574	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53.3	132	168.6	-70.3	-174.2	173.2	-169.7	0	108.6	R412 R458 P462	R412-K460 PolarHBondContact O-NZ 3.25Å; R458-K460 PolarHBondContact O-N 3.19Å; K460-P462 WeakPolarHBondContact O-CD 3.25Å
461	L	73.1	Confident	71.7	Confident	144 Å²	144	90 Å²	90	75%	0.754	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.2	124	172.3	-72.9	170.7	0	0	0	108.4	R459 Q463	R459-L461 PolarHBondContact O-N 2.72Å; L461-Q463 PolarHBondContact O-N 3Å; L461-Q463 PolarHBondContact O-NE2 3.2Å; L461-Q463 VanDerWaalsContact O-NE2 3.13Å
462	P	82.7	Confident	73	Confident	90 Å²	90	93.1 Å²	93.1	58%	0.584	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-55.5	129.5	175.3	-24.6	34.1	0	0	0	110.2	K460 P464	K460-P462 WeakPolarHBondContact O-CD 3.25Å; P462-P464 WeakPolarHBondContact O-CD 3.23Å
463	Q	92.1	Very high	74.6	Confident	28 Å²	28	91.9 Å²	91.9	13%	0.131	50%	0.499	C	S	.	.			trans	-91.7	110.5	176.7	-63	-55.1	-45.6	0	0	108.7	L461 Y465 L466 N469	L461-Q463 PolarHBondContact O-N 3Å; L461-Q463 PolarHBondContact O-NE2 3.2Å; L461-Q463 VanDerWaalsContact O-NE2 3.13Å; Q463-Y465 HydrophobicContact CB-CD1 4.45Å; Q463-Y465 HydrophobicContact CB-CD2 4.39Å; Q463-Y465 HydrophobicContact CB-CE1 3.94Å; Q463-Y465 HydrophobicContact CB-CE2 3.85Å; Q463-Y465 HydrophobicContact CG-CE1 4.39Å; Q463-Y465 HydrophobicContact CG-CE2 4.41Å; Q463-Y465 PolarHBondContact O-N 3.11Å; Q463-Y465 VanDerWaalsContact OE1-CE1 3.31Å; Q463-Y465 PolarHBondContact OE1-OH 2.65Å; Q463-Y465 VanDerWaalsContact OE1-OH 3.12Å; Q463-L466 HydrophobicContact CB-CD1 3.77Å; Q463-L466 HydrophobicContact CB-CG 3.77Å; Q463-L466 HydrophobicContact CG-CD1 4.26Å; Q463-L466 PolarHBondContact O-N 3.12Å; Q463-L466 VanDerWaalsContact O-N 3.09Å; Q463-N469 PolarHBondContact O-ND2 2.92Å
464	P	94	Very high	75.8	Confident	15 Å²	15	99 Å²	99	10%	0.097	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.7	-171.2	-25.1	35.8	0	0	0	114	P462 L466 R470 Y487 L504	P462-P464 WeakPolarHBondContact O-CD 3.23Å; P464-L466 VanDerWaalsContact C-N 3.3Å; P464-L466 PolarHBondContact O-N 3.38Å; P464-R470 WeakPolarHBondContact O-CD 3.49Å; P464-Y487 HydrophobicContact CB-CE1 3.92Å; P464-Y487 WeakPolarHBondContact CB-OH 3.36Å; P464-L504 HydrophobicContact CG-CD1 4.43Å
465	Y	95.5	Very high	76.9	Confident	1 Å²	1	102.9 Å²	102.9	0%	0.004	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.7	178.9	53.3	-103.5	0	0	0	114	F233 P235 I236 I410 Q463 W484	F233-Y465 WeakPolarHBondContact O-CB 3.43Å; F233-Y465 WeakPolarHBondContact O-CD1 3.02Å; P235-Y465 HydrophobicContact CG-CD1 4.39Å; P235-Y465 HydrophobicContact CG-CD2 4.13Å; P235-Y465 HydrophobicContact CG-CE1 4.18Å; P235-Y465 HydrophobicContact CG-CE2 3.92Å; P235-Y465 HydrophobicContact CG-CG 4.38Å; I236-Y465 HydrophobicContact CD1-CD2 4.14Å; I410-Y465 HydrophobicContact CG2-CD2 4.3Å; I410-Y465 HydrophobicContact CG2-CE2 3.61Å; Q463-Y465 HydrophobicContact CB-CD1 4.45Å; Q463-Y465 HydrophobicContact CB-CD2 4.39Å; Q463-Y465 HydrophobicContact CB-CE1 3.94Å; Q463-Y465 HydrophobicContact CB-CE2 3.85Å; Q463-Y465 HydrophobicContact CG-CE1 4.39Å; Q463-Y465 HydrophobicContact CG-CE2 4.41Å; Q463-Y465 PolarHBondContact O-N 3.11Å; Q463-Y465 VanDerWaalsContact OE1-CE1 3.31Å; Q463-Y465 PolarHBondContact OE1-OH 2.65Å; Q463-Y465 VanDerWaalsContact OE1-OH 3.12Å; Y465-W484 WeakPolarHBondContact O-CH2 3.29Å
466	L	95.9	Very high	78	Confident	28 Å²	28	103.4 Å²	103.4	15%	0.147	53%	0.534	C	S	.	.	S	Bend	trans	-74.2	137.4	-178.9	-68.2	-178.5	0	0	0	111.4	I236 I410 Q463 P464 A468 N469 R470	I236-L466 HydrophobicContact CD1-CD2 4.37Å; I410-L466 HydrophobicContact CG2-CD2 4.16Å; Q463-L466 HydrophobicContact CB-CD1 3.77Å; Q463-L466 HydrophobicContact CB-CG 3.77Å; Q463-L466 HydrophobicContact CG-CD1 4.26Å; Q463-L466 PolarHBondContact O-N 3.12Å; Q463-L466 VanDerWaalsContact O-N 3.09Å; P464-L466 VanDerWaalsContact C-N 3.3Å; P464-L466 PolarHBondContact O-N 3.38Å; L466-A468 PolarHBondContact O-N 3.34Å; L466-N469 PolarHBondContact O-N 3.23Å; L466-R470 WeakPolarHBondContact O-CG 3.39Å
467	P	92.9	Very high	79.5	Confident	33 Å²	33	98.2 Å²	98.2	21%	0.214	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-45.9	-37.6	-173.3	-30.7	32.3	0	0	0	116.5	A370 M371 N469 R470 W484	A370-P467 WeakPolarHBondContact O-CD 3.47Å; A370-P467 WeakPolarHBondContact O-CG 3.32Å; M371-P467 WeakPolarHBondContact O-CG 3.45Å; P467-N469 PolarHBondContact O-N 3.5Å; P467-N469 VanDerWaalsContact O-N 3.17Å; P467-R470 WeakPolarHBondContact O-CB 3.48Å; P467-R470 PolarHBondContact O-N 3.33Å; P467-R470 VanDerWaalsContact O-N 3.12Å; P467-W484 HydrophobicContact CG-CZ3 4.06Å
468	A	91.2	Very high	81.3	Confident	98 Å²	98	103.9 Å²	103.9	81%	0.81	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.9	179.5	0	0	0	0	0	114.1	L466	L466-A468 PolarHBondContact O-N 3.34Å
469	N	93.6	Very high	83.3	Confident	84 Å²	84	96.4 Å²	96.4	45%	0.449	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-107.4	5.5	179.2	-56.1	-46.7	0	0	0	112.4	Q463 L466 P467	Q463-N469 PolarHBondContact O-ND2 2.92Å; L466-N469 PolarHBondContact O-N 3.23Å; P467-N469 PolarHBondContact O-N 3.5Å; P467-N469 VanDerWaalsContact O-N 3.17Å
470	R	94.1	Very high	84.9	Confident	32 Å²	32	90.7 Å²	90.7	12%	0.121	47%	0.465	C	S	.	.	S	Bend	trans	-93.3	162.4	-174.4	-64.3	-68.1	-57.7	-74.8	-13	111.6	P464 L466 P467 Q472 T485 P486 D490	P464-R470 WeakPolarHBondContact O-CD 3.49Å; L466-R470 WeakPolarHBondContact O-CG 3.39Å; P467-R470 WeakPolarHBondContact O-CB 3.48Å; P467-R470 PolarHBondContact O-N 3.33Å; P467-R470 VanDerWaalsContact O-N 3.12Å; R470-Q472 PolarHBondContact O-N 3.4Å; R470-T485 PolarHBondContact NH1-O 3.3Å; R470-T485 VanDerWaalsContact NH1-O 3.13Å; R470-T485 PolarHBondContact NH2-O 2.99Å; R470-P486 PolarHBondContact NH2-O 3.49Å; R470-D490 IonicContact CZ-OD1 2.61Å; R470-D490 IonicContact CZ-OD2 2.72Å; R470-D490 IonicContact NE-OD1 3.03Å; R470-D490 IonicContact NE-OD2 3.36Å; R470-D490 PolarHBondContact NE-OD2 2.65Å; R470-D490 IonicContact NH2-OD1 3.8Å; R470-D490 PolarHBondContact NH2-OD1 2.99Å; R470-D490 IonicContact NH2-OD2 2.65Å; R470-D490 PolarHBondContact NH2-OD2 3.29Å
471	R	91.4	Very high	86.2	Confident	94 Å²	94	86.7 Å²	86.7	36%	0.355	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-61.9	128.9	175.2	-174.9	171.1	178.4	148	-8.4	110.1	D490 E493 D494 E497	R471-D490 HydrophobicContact CB-CB 4.35Å; R471-D490 WeakPolarHBondContact CB-OD2 3.43Å; R471-D490 PolarHBondContact N-OD2 2.86Å; R471-E493 IonicContact NE-OE2 2.73Å; R471-D494 IonicContact NH1-OD1 3.98Å; R471-D494 PolarHBondContact NH1-OD1 3.49Å; R471-D494 VanDerWaalsContact NH1-OD1 3.16Å; R471-E497 IonicContact CZ-OE1 3.21Å; R471-E497 IonicContact NH1-OE1 3.54Å; R471-E497 PolarHBondContact NH1-OE1 3.04Å; R471-E497 IonicContact NH1-OE2 2.68Å; R471-E497 IonicContact NH2-OE1 3.85Å; R471-E497 PolarHBondContact NH2-OE1 2.87Å; R471-E497 IonicContact NH2-OE2 3.29Å
472	Q	86.7	Confident	87.2	Confident	189 Å²	189	81.3 Å²	81.3	88%	0.883	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-70.7	131.5	172.5	-65.5	-177.4	21.8	0	0	109.4	R470	R470-Q472 PolarHBondContact O-N 3.4Å
473	R	85.8	Confident	87.8	Confident	80 Å²	80	77.9 Å²	77.9	30%	0.302	40%	0.399	S	S	.	.			trans	-109.3	125.2	-179.5	-62.5	-175.4	174.9	-83.5	-5.8	108.6	D490 E493	R473-D490 IonicContact CZ-OD1 3.27Å; R473-D490 IonicContact NE-OD1 3.19Å; R473-D490 IonicContact NH2-OD1 2.69Å; R473-D490 PolarHBondContact NH2-OD1 3.36Å; R473-E493 IonicContact CZ-OE1 3.43Å; R473-E493 IonicContact CZ-OE2 2.7Å; R473-E493 IonicContact NH1-OE1 3.8Å; R473-E493 PolarHBondContact NH1-OE1 3.39Å; R473-E493 IonicContact NH1-OE2 3.12Å; R473-E493 PolarHBondContact NH1-OE2 2.92Å; R473-E493 IonicContact NH2-OE1 2.6Å; R473-E493 IonicContact NH2-OE2 2.65Å; R473-E493 PolarHBondContact NH2-OE2 3.38Å
474	E	72	Confident	87.9	Confident	201 Å²	201	77.5 Å²	77.5	94%	0.939	40%	0.396	S	S	*	.	S	Bend	trans	-67.5	-39.9	-176.8	-63.5	-177.1	166.6	0	0	111.7	G476	E474-G476 PolarHBondContact O-N 3.06Å
475	D	69.5	Low	88	Confident	153 Å²	153	78.3 Å²	78.3	82%	0.818	40%	0.401	S	S	*	.	S	Bend	trans	-73.3	98.5	171.5	-62.2	-39.9	0	0	0	108.5
476	G	65.4	Low	88.1	Confident	54 Å²	54	78.3 Å²	78.3	56%	0.557	40%	0.401	S	S	*	.			trans	-55.4	161.9	171	0	0	0	0	0	111.8	E474 R478	E474-G476 PolarHBondContact O-N 3.06Å; G476-R478 PolarHBondContact O-N 3.15Å; G476-R478 VanDerWaalsContact O-N 3.16Å
477	P	73.5	Confident	88.2	Confident	79 Å²	79	78 Å²	78	51%	0.513	40%	0.397	S	S	.	.			trans	-64	122.4	-174.5	26.1	-33.4	0	0	0	111.1	Y479 R483	P477-Y479 PolarHBondContact O-N 3.01Å; P477-R483 HydrophobicContact CB-CB 3.92Å; P477-R483 HydrophobicContact CB-CG 3.65Å; P477-R483 HydrophobicContact CG-CB 4.3Å; P477-R483 HydrophobicContact CG-CG 3.95Å
478	R	83.2	Confident	88.5	Confident	199 Å²	199	76.4 Å²	76.4	75%	0.751	39%	0.387	S	S	*	.	S	Bend	trans	-65.1	-27.1	176.4	-173.5	174.9	-177.2	-177	1.2	113	G476	G476-R478 PolarHBondContact O-N 3.15Å; G476-R478 VanDerWaalsContact O-N 3.16Å
479	Y	92.1	Very high	88.8	Confident	52 Å²	52	73.3 Å²	73.3	20%	0.204	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-128.9	126.2	-175.7	-55.7	-75.7	0	0	0	110.2	H291 A293 P477 M481 S482 R483	H291-Y479 HydrophobicContact CB-CD2 4.27Å; H291-Y479 HydrophobicContact CB-CE2 3.66Å; H291-Y479 AromaticContact CD2-CD2 3.51Å; H291-Y479 AromaticContact CD2-CE2 3.83Å; H291-Y479 AromaticContact CE1-CD1 3.88Å; H291-Y479 AromaticContact CE1-CD2 4Å; H291-Y479 AromaticContact CE1-CG 3.78Å; H291-Y479 AromaticContact CG-CD2 3.67Å; H291-Y479 AromaticContact CG-CE2 3.49Å; H291-Y479 VanDerWaalsContact CG-CE2 3.49Å; H291-Y479 AromaticContact CG-CZ 3.9Å; H291-Y479 AromaticContact ND1-CD2 3.96Å; H291-Y479 AromaticContact ND1-CE1 3.91Å; H291-Y479 AromaticContact ND1-CE2 3.82Å; H291-Y479 AromaticContact ND1-CZ 3.79Å; H291-Y479 AromaticContact NE2-CD2 3.72Å; H291-Y479 AromaticContact NE2-CG 3.69Å; A293-Y479 HydrophobicContact CB-CD1 4.49Å; A293-Y479 HydrophobicContact CB-CE1 3.83Å; P477-Y479 PolarHBondContact O-N 3.01Å; Y479-M481 PolarHBondContact O-N 3.33Å; Y479-S482 CarbonylContact O-C 3.41Å; Y479-S482 PolarHBondContact O-N 3.06Å; Y479-S482 VanDerWaalsContact O-N 3.09Å; Y479-R483 WeakPolarHBondContact O-CG 3.34Å
480	Q	91.5	Very high	89	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.1	-178.8	-66.5	-175.6	-17.4	0	0	113.3	A375 R483	A375-Q480 HydrophobicContact CB-CB 4.14Å; A375-Q480 HydrophobicContact CB-CG 3.99Å; Q480-R483 VanDerWaalsContact O-CD 3.29Å; Q480-R483 WeakPolarHBondContact O-CD 2.89Å; Q480-R483 VanDerWaalsContact O-CG 3.28Å; Q480-R483 WeakPolarHBondContact O-CG 3.37Å; Q480-R483 PolarHBondContact O-NE 3.32Å; Q480-R483 VanDerWaalsContact O-NE 3.15Å
481	M	93.6	Very high	89.2	Confident	47 Å²	47	68 Å²	68	23%	0.232	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.6	179.4	-56.1	-56	172.6	0	0	113.7	L243 C363 K364 Q367 Y479	L243-M481 HydrophobicContact CD1-CB 3.87Å; C363-M481 HydrophobicContact CB-CB 4.33Å; K364-M481 HydrophobicContact CB-CE 3.97Å; K364-M481 HydrophobicContact CB-SD 3.7Å; K364-M481 HydrophobicContact CD-CE 4.38Å; K364-M481 HydrophobicContact CG-CE 4.24Å; K364-M481 HydrophobicContact CG-SD 4.27Å; Q367-M481 VanDerWaalsContact CG-O 3.25Å; Q367-M481 WeakPolarHBondContact CG-O 3.35Å; Y479-M481 PolarHBondContact O-N 3.33Å
482	S	94.6	Very high	89.4	Confident	31 Å²	31	63.5 Å²	63.5	22%	0.217	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-141.7	73.6	-179.1	-55.2	0	0	0	0	110.3	L243 H291 Y479	L243-S482 WeakPolarHBondContact CB-OG 3.32Å; L243-S482 WeakPolarHBondContact CD1-OG 3.41Å; H291-S482 PolarHBondContact CD2-OG 3.14Å; H291-S482 PolarHBondContact NE2-OG 2.83Å; Y479-S482 CarbonylContact O-C 3.41Å; Y479-S482 PolarHBondContact O-N 3.06Å; Y479-S482 VanDerWaalsContact O-N 3.09Å
483	R	94.7	Very high	89.9	Confident	19 Å²	19	55.4 Å²	55.4	7%	0.072	28%	0.275	C	S	.	.			trans	-107.5	-31.8	-174	-53.2	-169.6	-76.3	146.3	-1.9	112.4	D368 M371 T373 D374 P477 Y479 Q480 T485	D368-R483 IonicContact OD1-CZ 3.82Å; D368-R483 IonicContact OD1-NH2 2.81Å; D368-R483 PolarHBondContact OD1-NH2 2.94Å; M371-R483 HydrophobicContact CG-CB 4.1Å; M371-R483 HydrophobicContact SD-CB 4.38Å; T373-R483 PolarHBondContact O-NH1 3.5Å; T373-R483 PolarHBondContact O-NH2 2.85Å; D374-R483 PolarHBondContact O-NH1 3.43Å; P477-R483 HydrophobicContact CB-CB 3.92Å; P477-R483 HydrophobicContact CB-CG 3.65Å; P477-R483 HydrophobicContact CG-CB 4.3Å; P477-R483 HydrophobicContact CG-CG 3.95Å; Y479-R483 WeakPolarHBondContact O-CG 3.34Å; Q480-R483 VanDerWaalsContact O-CD 3.29Å; Q480-R483 WeakPolarHBondContact O-CD 2.89Å; Q480-R483 VanDerWaalsContact O-CG 3.28Å; Q480-R483 WeakPolarHBondContact O-CG 3.37Å; Q480-R483 PolarHBondContact O-NE 3.32Å; Q480-R483 VanDerWaalsContact O-NE 3.15Å; R483-T485 PolarHBondContact O-N 3.17Å
484	W	95.7	Very high	90.4	Very high	20 Å²	20	53.6 Å²	53.6	8%	0.076	27%	0.271	C	S	.	.			trans	-59.7	134.4	178.7	179.5	-104.6	0	0	0	111.6	I236 S237 L240 A370 M371 Y465 P467	I236-W484 HydrophobicContact CB-CH2 3.87Å; I236-W484 HydrophobicContact CB-CZ2 3.61Å; I236-W484 HydrophobicContact CD1-CH2 3.47Å; I236-W484 VanDerWaalsContact CD1-CH2 3.47Å; I236-W484 HydrophobicContact CD1-CZ2 4.15Å; I236-W484 HydrophobicContact CD1-CZ3 3.9Å; I236-W484 HydrophobicContact CG1-CH2 4.25Å; I236-W484 HydrophobicContact CG1-CZ2 4.46Å; I236-W484 HydrophobicContact CG2-CD2 3.82Å; I236-W484 HydrophobicContact CG2-CE3 4.03Å; I236-W484 HydrophobicContact CG2-CH2 3.77Å; I236-W484 HydrophobicContact CG2-CZ2 3.54Å; I236-W484 HydrophobicContact CG2-CZ3 4Å; S237-W484 PolarHBondContact OG-NE1 2.85Å; L240-W484 HydrophobicContact CD1-CB 3.61Å; L240-W484 HydrophobicContact CD1-CD2 3.93Å; L240-W484 HydrophobicContact CD1-CG 3.32Å; A370-W484 HydrophobicContact CB-CD2 4.4Å; A370-W484 HydrophobicContact CB-CE3 3.91Å; A370-W484 HydrophobicContact CB-CZ3 4.45Å; M371-W484 HydrophobicContact SD-CE3 3.94Å; Y465-W484 WeakPolarHBondContact O-CH2 3.29Å; P467-W484 HydrophobicContact CG-CZ3 4.06Å
485	T	95.8	Very high	91.5	Very high	32 Å²	32	44 Å²	44	20%	0.196	23%	0.227	C	C	.	.			trans	-116.6	123.1	168.6	-61.7	0	0	0	0	108.9	R470 R483 K489	R470-T485 PolarHBondContact NH1-O 3.3Å; R470-T485 VanDerWaalsContact NH1-O 3.13Å; R470-T485 PolarHBondContact NH2-O 2.99Å; R483-T485 PolarHBondContact O-N 3.17Å; T485-K489 HydrophobicContact CG2-CB 4Å; T485-K489 HydrophobicContact CG2-CD 3.59Å; T485-K489 HydrophobicContact CG2-CG 4.36Å
486	P	97.8	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.			trans	-52.7	141	179.6	-29.8	36.8	0	0	0	113.3	S237 R470 I488 K489 E558	S237-P486 VanDerWaalsContact OG-CA 3.27Å; S237-P486 WeakPolarHBondContact OG-CA 3.49Å; S237-P486 WeakPolarHBondContact OG-CB 3.44Å; R470-P486 PolarHBondContact NH2-O 3.49Å; P486-I488 HydrophobicContact CB-CG2 4.27Å; P486-I488 PolarHBondContact O-N 3.49Å; P486-K489 WeakPolarHBondContact O-CB 3.4Å; P486-K489 PolarHBondContact O-N 3.03Å; P486-K489 VanDerWaalsContact O-N 3.09Å; P486-E558 HydrophobicContact CB-CG 4Å
487	Y	98.2	Very high	94.1	Very high	21 Å²	21	37.3 Å²	37.3	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-32.1	-175.5	-177.4	-147.7	0	0	0	112.7	F233 D234 P464 K489 D490 L491	F233-Y487 AromaticContact CD2-CD1 3.84Å; F233-Y487 HydrophobicContact CD2-CD1 3.84Å; F233-Y487 HydrophobicContact CD2-CE1 4.43Å; F233-Y487 HydrophobicContact CE2-CD1 4.37Å; F233-Y487 WeakPolarHBondContact O-CD1 3.32Å; D234-Y487 WeakPolarHBondContact OD2-CB 3.37Å; D234-Y487 PolarHBondContact OD2-N 3.34Å; P464-Y487 HydrophobicContact CB-CE1 3.92Å; P464-Y487 WeakPolarHBondContact CB-OH 3.36Å; Y487-K489 PolarHBondContact O-N 3.32Å; Y487-D490 HydrophobicContact CD2-CB 4.04Å; Y487-D490 HydrophobicContact CE2-CB 4.21Å; Y487-D490 WeakPolarHBondContact O-CB 3.47Å; Y487-D490 PolarHBondContact O-N 3.34Å; Y487-L491 HydrophobicContact CD2-CD2 4.43Å; Y487-L491 HydrophobicContact CD2-CG 4.39Å; Y487-L491 HydrophobicContact CE1-CD1 4.4Å; Y487-L491 HydrophobicContact CE1-CD2 4.22Å; Y487-L491 HydrophobicContact CE2-CD2 3.76Å; Y487-L491 HydrophobicContact CE2-CG 4.2Å; Y487-L491 PolarHBondContact O-N 3.21Å
488	I	98.3	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.1	-27.9	176.3	-153.9	172.5	0	0	0	112.7	L229 F233 P486 L491 M492 F548 V550 E558 C561 V578	L229-I488 HydrophobicContact CD1-CD1 4.1Å; L229-I488 HydrophobicContact CD1-CG1 4.1Å; F233-I488 HydrophobicContact CE2-CB 3.87Å; F233-I488 HydrophobicContact CE2-CG1 4.23Å; F233-I488 HydrophobicContact CZ-CB 3.92Å; F233-I488 HydrophobicContact CZ-CD1 4.25Å; F233-I488 HydrophobicContact CZ-CG1 4.21Å; P486-I488 HydrophobicContact CB-CG2 4.27Å; P486-I488 PolarHBondContact O-N 3.49Å; I488-L491 WeakPolarHBondContact O-CB 3.49Å; I488-L491 PolarHBondContact O-N 2.9Å; I488-M492 HydrophobicContact CD1-CE 3.93Å; I488-M492 HydrophobicContact CG1-CE 3.99Å; I488-M492 HydrophobicContact CG2-CE 4.28Å; I488-M492 WeakPolarHBondContact O-CB 3.43Å; I488-M492 WeakPolarHBondContact O-CG 3.26Å; I488-M492 PolarHBondContact O-N 2.87Å; I488-F548 HydrophobicContact CD1-CB 4.38Å; I488-F548 HydrophobicContact CD1-CD1 4.4Å; I488-F548 HydrophobicContact CG1-CD1 4.23Å; I488-V550 HydrophobicContact CD1-CG2 4.2Å; I488-E558 HydrophobicContact CB-CG 4.48Å; I488-E558 HydrophobicContact CG2-CB 3.81Å; I488-E558 HydrophobicContact CG2-CG 3.82Å; I488-C561 HydrophobicContact CG2-CB 4.14Å; I488-V578 HydrophobicContact CD1-CG2 3.99Å
489	K	97.3	Very high	95.6	Very high	33 Å²	33	34.3 Å²	34.3	14%	0.143	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-43.8	177.7	-166	173.5	176.6	176	0	111.9	T485 P486 Y487 L491 M492 E493 C561 E564	T485-K489 HydrophobicContact CG2-CB 4Å; T485-K489 HydrophobicContact CG2-CD 3.59Å; T485-K489 HydrophobicContact CG2-CG 4.36Å; P486-K489 WeakPolarHBondContact O-CB 3.4Å; P486-K489 PolarHBondContact O-N 3.03Å; P486-K489 VanDerWaalsContact O-N 3.09Å; Y487-K489 PolarHBondContact O-N 3.32Å; K489-L491 VanDerWaalsContact C-N 3.28Å; K489-L491 PolarHBondContact O-N 3.4Å; K489-M492 PolarHBondContact O-N 3.24Å; K489-E493 VanDerWaalsContact O-CG 3.3Å; K489-E493 WeakPolarHBondContact O-CG 3.4Å; K489-E493 PolarHBondContact O-N 3.43Å; K489-C561 HydrophobicContact CB-CB 3.89Å; K489-C561 HydrophobicContact CD-CB 4.38Å; K489-C561 HydrophobicContact CG-CB 4.1Å; K489-E564 WeakPolarHBondContact CE-OE2 3.45Å; K489-E564 IonicContact NZ-OE2 3.64Å; K489-E564 PolarHBondContact NZ-OE2 2.98Å
490	D	97.3	Very high	95.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175	-61.8	21.5	0	0	0	109.4	R470 R471 R473 Y487 M492 E493 D494	R470-D490 IonicContact CZ-OD1 2.61Å; R470-D490 IonicContact CZ-OD2 2.72Å; R470-D490 IonicContact NE-OD1 3.03Å; R470-D490 IonicContact NE-OD2 3.36Å; R470-D490 PolarHBondContact NE-OD2 2.65Å; R470-D490 IonicContact NH2-OD1 3.8Å; R470-D490 PolarHBondContact NH2-OD1 2.99Å; R470-D490 IonicContact NH2-OD2 2.65Å; R470-D490 PolarHBondContact NH2-OD2 3.29Å; R471-D490 HydrophobicContact CB-CB 4.35Å; R471-D490 WeakPolarHBondContact CB-OD2 3.43Å; R471-D490 PolarHBondContact N-OD2 2.86Å; R473-D490 IonicContact CZ-OD1 3.27Å; R473-D490 IonicContact NE-OD1 3.19Å; R473-D490 IonicContact NH2-OD1 2.69Å; R473-D490 PolarHBondContact NH2-OD1 3.36Å; Y487-D490 HydrophobicContact CD2-CB 4.04Å; Y487-D490 HydrophobicContact CE2-CB 4.21Å; Y487-D490 WeakPolarHBondContact O-CB 3.47Å; Y487-D490 PolarHBondContact O-N 3.34Å; D490-M492 PolarHBondContact O-N 2.96Å; D490-E493 PolarHBondContact O-N 2.94Å; D490-D494 WeakPolarHBondContact O-CB 3.4Å; D490-D494 PolarHBondContact O-N 2.95Å
491	L	98	Very high	96	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-40	178	-55.9	-175.2	0	0	0	112.6	L229 F233 Y487 I488 K489 A495 L500 F505 F548	L229-L491 HydrophobicContact CD1-CD1 4.05Å; L229-L491 HydrophobicContact CD2-CD1 4Å; F233-L491 HydrophobicContact CD2-CD1 3.82Å; F233-L491 HydrophobicContact CE2-CD1 3.98Å; Y487-L491 HydrophobicContact CD2-CD2 4.43Å; Y487-L491 HydrophobicContact CD2-CG 4.39Å; Y487-L491 HydrophobicContact CE1-CD1 4.4Å; Y487-L491 HydrophobicContact CE1-CD2 4.22Å; Y487-L491 HydrophobicContact CE2-CD2 3.76Å; Y487-L491 HydrophobicContact CE2-CG 4.2Å; Y487-L491 PolarHBondContact O-N 3.21Å; I488-L491 WeakPolarHBondContact O-CB 3.49Å; I488-L491 PolarHBondContact O-N 2.9Å; K489-L491 VanDerWaalsContact C-N 3.28Å; K489-L491 PolarHBondContact O-N 3.4Å; L491-A495 WeakPolarHBondContact O-CB 3.18Å; L491-A495 PolarHBondContact O-N 2.79Å; L491-L500 HydrophobicContact CB-CD1 4.34Å; L491-L500 HydrophobicContact CD2-CD1 3.86Å; L491-F505 HydrophobicContact CD1-CE1 4.15Å; L491-F505 HydrophobicContact CD1-CZ 3.8Å; L491-F505 HydrophobicContact CD2-CE1 4.47Å; L491-F505 HydrophobicContact CD2-CE2 3.69Å; L491-F505 HydrophobicContact CD2-CZ 3.5Å; L491-F505 VanDerWaalsContact CD2-CZ 3.5Å; L491-F505 HydrophobicContact CG-CZ 4.29Å; L491-F548 HydrophobicContact CB-CE1 4.05Å
492	M	97.5	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-44	175.8	-71.1	171.1	174.6	0	0	111.7	I488 K489 D490 A496 F548 C561 A562 L565 I576 V578	I488-M492 HydrophobicContact CD1-CE 3.93Å; I488-M492 HydrophobicContact CG1-CE 3.99Å; I488-M492 HydrophobicContact CG2-CE 4.28Å; I488-M492 WeakPolarHBondContact O-CB 3.43Å; I488-M492 WeakPolarHBondContact O-CG 3.26Å; I488-M492 PolarHBondContact O-N 2.87Å; K489-M492 PolarHBondContact O-N 3.24Å; D490-M492 PolarHBondContact O-N 2.96Å; M492-A496 VanDerWaalsContact O-CB 3.27Å; M492-A496 WeakPolarHBondContact O-CB 3.33Å; M492-A496 PolarHBondContact O-N 2.79Å; M492-F548 HydrophobicContact CB-CE2 4.2Å; M492-F548 HydrophobicContact CB-CZ 4.17Å; M492-F548 HydrophobicContact CE-CD2 4.34Å; M492-F548 HydrophobicContact CE-CG 4.43Å; M492-F548 HydrophobicContact CG-CD2 3.97Å; M492-F548 HydrophobicContact CG-CE1 4.23Å; M492-F548 HydrophobicContact CG-CE2 3.56Å; M492-F548 HydrophobicContact CG-CG 4.46Å; M492-F548 HydrophobicContact CG-CZ 3.71Å; M492-C561 HydrophobicContact SD-CB 4.13Å; M492-A562 HydrophobicContact CE-CB 3.92Å; M492-A562 HydrophobicContact SD-CB 4.33Å; M492-L565 HydrophobicContact CB-CD2 3.52Å; M492-I576 HydrophobicContact CE-CG2 4.28Å; M492-I576 HydrophobicContact CG-CG2 4.5Å; M492-I576 HydrophobicContact SD-CG2 4.3Å; M492-V578 HydrophobicContact CE-CB 4.06Å; M492-V578 HydrophobicContact CE-CG2 3.77Å
493	E	96.3	Very high	95.9	Very high	18 Å²	18	38.2 Å²	38.2	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-47.7	176.7	-70.6	164.9	165.1	0	0	110.6	R471 R473 K489 D490 A495 A496 E497 L565 L570	R471-E493 IonicContact NE-OE2 2.73Å; R473-E493 IonicContact CZ-OE1 3.43Å; R473-E493 IonicContact CZ-OE2 2.7Å; R473-E493 IonicContact NH1-OE1 3.8Å; R473-E493 PolarHBondContact NH1-OE1 3.39Å; R473-E493 IonicContact NH1-OE2 3.12Å; R473-E493 PolarHBondContact NH1-OE2 2.92Å; R473-E493 IonicContact NH2-OE1 2.6Å; R473-E493 IonicContact NH2-OE2 2.65Å; R473-E493 PolarHBondContact NH2-OE2 3.38Å; K489-E493 VanDerWaalsContact O-CG 3.3Å; K489-E493 WeakPolarHBondContact O-CG 3.4Å; K489-E493 PolarHBondContact O-N 3.43Å; D490-E493 PolarHBondContact O-N 2.94Å; E493-A495 PolarHBondContact O-N 3.11Å; E493-A496 PolarHBondContact O-N 3.37Å; E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 WeakPolarHBondContact O-CG 3.35Å; E493-E497 PolarHBondContact O-N 3.4Å; E493-L565 HydrophobicContact CG-CD1 3.81Å; E493-L565 HydrophobicContact CG-CD2 4.29Å; E493-L570 HydrophobicContact CB-CD2 4.41Å
494	D	96.3	Very high	95.9	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-36.6	179.9	-68	-12.8	0	0	0	112.1	R471 D490 E497 D498 K499 L500	R471-D494 IonicContact NH1-OD1 3.98Å; R471-D494 PolarHBondContact NH1-OD1 3.49Å; R471-D494 VanDerWaalsContact NH1-OD1 3.16Å; D490-D494 WeakPolarHBondContact O-CB 3.4Å; D490-D494 PolarHBondContact O-N 2.95Å; D494-E497 PolarHBondContact O-N 3.39Å; D494-D498 PolarHBondContact O-N 2.85Å; D494-K499 HydrophobicContact CB-CB 4.5Å; D494-K499 WeakPolarHBondContact O-CA 3.38Å; D494-K499 PolarHBondContact O-N 3.14Å; D494-L500 HydrophobicContact CB-CB 4.27Å; D494-L500 HydrophobicContact CB-CD1 4.29Å; D494-L500 PolarHBondContact O-N 2.73Å; D494-L500 VanDerWaalsContact O-N 3.08Å
495	A	95.9	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-44	174	0	0	0	0	0	111.8	I227 L491 E493 E497 D498 L500 L546 F548	I227-A495 HydrophobicContact CD1-CB 3.69Å; L491-A495 WeakPolarHBondContact O-CB 3.18Å; L491-A495 PolarHBondContact O-N 2.79Å; E493-A495 PolarHBondContact O-N 3.11Å; A495-E497 PolarHBondContact O-N 3.48Å; A495-D498 PolarHBondContact O-N 3.13Å; A495-D498 VanDerWaalsContact O-N 3.16Å; A495-L500 HydrophobicContact CB-CB 4.44Å; A495-L500 HydrophobicContact CB-CD2 4.28Å; A495-L546 HydrophobicContact CB-CD1 3.95Å; A495-L546 HydrophobicContact CB-CD2 4.31Å; A495-F548 HydrophobicContact CB-CZ 3.96Å
496	A	94.5	Very high	96	Very high	9 Å²	9	41.6 Å²	41.6	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-27.5	178.5	0	0	0	0	0	112.8	M492 E493 L546 L570 W574	M492-A496 VanDerWaalsContact O-CB 3.27Å; M492-A496 WeakPolarHBondContact O-CB 3.33Å; M492-A496 PolarHBondContact O-N 2.79Å; E493-A496 PolarHBondContact O-N 3.37Å; A496-L546 HydrophobicContact CB-CD1 3.9Å; A496-L570 HydrophobicContact CB-CD1 3.76Å; A496-L570 HydrophobicContact CB-CD2 3.84Å; A496-L570 HydrophobicContact CB-CG 3.66Å; A496-W574 HydrophobicContact CB-CG 4.19Å; A496-W574 PolarHBondContact O-NE1 3.39Å
497	E	94.6	Very high	95.9	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.2	174.7	-69.6	177.1	-152.4	0	0	114.3	R471 E493 D494 A495 K499 L570	R471-E497 IonicContact CZ-OE1 3.21Å; R471-E497 IonicContact NH1-OE1 3.54Å; R471-E497 PolarHBondContact NH1-OE1 3.04Å; R471-E497 IonicContact NH1-OE2 2.68Å; R471-E497 IonicContact NH2-OE1 3.85Å; R471-E497 PolarHBondContact NH2-OE1 2.87Å; R471-E497 IonicContact NH2-OE2 3.29Å; E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 WeakPolarHBondContact O-CG 3.35Å; E493-E497 PolarHBondContact O-N 3.4Å; D494-E497 PolarHBondContact O-N 3.39Å; A495-E497 PolarHBondContact O-N 3.48Å; E497-K499 HydrophobicContact CB-CB 4.4Å; E497-K499 HydrophobicContact CB-CD 4.09Å; E497-K499 HydrophobicContact CB-CG 4.09Å; E497-K499 PolarHBondContact O-N 3.09Å; E497-K499 WeakPolarHBondContact OE2-CD 3.35Å; E497-K499 WeakPolarHBondContact OE2-CE 3.22Å; E497-K499 IonicContact OE2-NZ 2.68Å; E497-K499 PolarHBondContact OE2-NZ 2.79Å; E497-L570 HydrophobicContact CG-CD1 4Å; E497-L570 HydrophobicContact CG-CD2 3.79Å
498	D	92.9	Very high	95.6	Very high	77 Å²	77	45.5 Å²	45.5	41%	0.412	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	32.6	-172.8	-160.5	32.5	0	0	0	113.3	D494 A495 R514	D494-D498 PolarHBondContact O-N 2.85Å; A495-D498 PolarHBondContact O-N 3.13Å; A495-D498 VanDerWaalsContact O-N 3.16Å; D498-R514 IonicContact OD1-NH2 3.48Å; D498-R514 IonicContact OD2-CZ 2.61Å; D498-R514 IonicContact OD2-NH1 3.56Å; D498-R514 PolarHBondContact OD2-NH1 3.41Å; D498-R514 IonicContact OD2-NH2 3.76Å; D498-R514 PolarHBondContact OD2-NH2 3.46Å
499	K	95.9	Very high	94.9	Very high	139 Å²	139	49.2 Å²	49.2	60%	0.604	26%	0.259	S	S	*	.			trans	-113.4	-2.3	-179.3	-68.5	-178.8	-170.2	161.3	0	114.4	D494 E497 D501	D494-K499 HydrophobicContact CB-CB 4.5Å; D494-K499 WeakPolarHBondContact O-CA 3.38Å; D494-K499 PolarHBondContact O-N 3.14Å; E497-K499 HydrophobicContact CB-CB 4.4Å; E497-K499 HydrophobicContact CB-CD 4.09Å; E497-K499 HydrophobicContact CB-CG 4.09Å; E497-K499 PolarHBondContact O-N 3.09Å; E497-K499 WeakPolarHBondContact OE2-CD 3.35Å; E497-K499 WeakPolarHBondContact OE2-CE 3.22Å; E497-K499 IonicContact OE2-NZ 2.68Å; E497-K499 PolarHBondContact OE2-NZ 2.79Å; K499-D501 PolarHBondContact O-N 3.13Å
500	L	95.7	Very high	93.7	Very high	6 Å²	6	51 Å²	51	3%	0.031	29%	0.287	C	S	.	.	S	Bend	trans	-57.9	122.4	178.4	-175.3	70.5	0	0	0	110.2	R186 I227 L491 D494 A495 P502 F505	R186-L500 PolarHBondContact NH2-O 3.01Å; I227-L500 HydrophobicContact CD1-CD2 3.97Å; I227-L500 HydrophobicContact CG1-CD2 4.46Å; L491-L500 HydrophobicContact CB-CD1 4.34Å; L491-L500 HydrophobicContact CD2-CD1 3.86Å; D494-L500 HydrophobicContact CB-CB 4.27Å; D494-L500 HydrophobicContact CB-CD1 4.29Å; D494-L500 PolarHBondContact O-N 2.73Å; D494-L500 VanDerWaalsContact O-N 3.08Å; A495-L500 HydrophobicContact CB-CB 4.44Å; A495-L500 HydrophobicContact CB-CD2 4.28Å; L500-P502 WeakPolarHBondContact O-CD 3.3Å; L500-F505 HydrophobicContact CD1-CD2 3.44Å; L500-F505 VanDerWaalsContact CD1-CD2 3.44Å; L500-F505 HydrophobicContact CD1-CE2 3.64Å; L500-F505 HydrophobicContact CD1-CG 3.96Å; L500-F505 HydrophobicContact CD1-CZ 4.3Å; L500-F505 HydrophobicContact CD2-CB 3.76Å; L500-F505 HydrophobicContact CD2-CD1 4.31Å; L500-F505 HydrophobicContact CD2-CD2 4.14Å; L500-F505 HydrophobicContact CD2-CG 3.8Å; L500-F505 HydrophobicContact CG-CB 3.88Å; L500-F505 HydrophobicContact CG-CD2 3.6Å; L500-F505 HydrophobicContact CG-CE2 4.32Å; L500-F505 HydrophobicContact CG-CG 3.79Å
501	D	94.8	Very high	92.3	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.353	30%	0.296	S	S	.	.			trans	-56.2	116.5	-170.5	-178	-13.3	0	0	0	111.7	K499 K503 L504 F505	K499-D501 PolarHBondContact O-N 3.13Å; D501-K503 PolarHBondContact O-N 3.46Å; D501-K503 WeakPolarHBondContact OD1-CB 3.49Å; D501-K503 PolarHBondContact OD1-N 2.95Å; D501-L504 HydrophobicContact CB-CB 4.16Å; D501-L504 HydrophobicContact CB-CD1 4.26Å; D501-L504 HydrophobicContact CB-CG 4.3Å; D501-L504 PolarHBondContact O-N 3Å; D501-F505 WeakPolarHBondContact O-CB 3.06Å; D501-F505 PolarHBondContact O-N 3.22Å
502	P	94	Very high	90.7	Very high	85 Å²	85	55.2 Å²	55.2	55%	0.552	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.7	-178	28.5	-35.7	0	0	0	114	L500 Q506	L500-P502 WeakPolarHBondContact O-CD 3.3Å; P502-Q506 WeakPolarHBondContact O-CA 3.09Å
503	K	92.8	Very high	88.4	Confident	173 Å²	173	62.1 Å²	62.1	75%	0.752	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-38.4	174.8	-64.3	179.8	178.7	176.3	0	111.8	T189 D501	T189-K503 WeakPolarHBondContact CG2-O 3.36Å; T189-K503 PolarHBondContact OG1-O 3.18Å; D501-K503 PolarHBondContact O-N 3.46Å; D501-K503 WeakPolarHBondContact OD1-CB 3.49Å; D501-K503 PolarHBondContact OD1-N 2.95Å
504	L	94.5	Very high	86	Confident	42 Å²	42	69.2 Å²	69.2	22%	0.22	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-29.8	177.1	-65.3	178	0	0	0	112	R188 T189 Q190 P464 D501	R188-L504 CarbonylContact C-O 3.41Å; R188-L504 VanDerWaalsContact CA-O 3.31Å; R188-L504 WeakPolarHBondContact CA-O 3.46Å; T189-L504 PolarHBondContact N-O 3.31Å; T189-L504 PolarHBondContact OG1-O 3.03Å; Q190-L504 HydrophobicContact CG-CD2 4.06Å; P464-L504 HydrophobicContact CG-CD1 4.43Å; D501-L504 HydrophobicContact CB-CB 4.16Å; D501-L504 HydrophobicContact CB-CD1 4.26Å; D501-L504 HydrophobicContact CB-CG 4.3Å; D501-L504 PolarHBondContact O-N 3Å
505	F	97.1	Very high	83	Confident	5 Å²	5	68.9 Å²	68.9	2%	0.022	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	80	-177.8	-59.4	-82.9	0	0	0	110.1	R186 Y187 R188 I227 L229 L491 L500 D501	R186-F505 PolarHBondContact NE-O 2.86Å; R186-F505 PolarHBondContact NH2-O 3.16Å; Y187-F505 VanDerWaalsContact O-CA 3.3Å; Y187-F505 WeakPolarHBondContact O-CA 3.35Å; R188-F505 HydrophobicContact CB-CD1 4.17Å; R188-F505 HydrophobicContact CB-CE1 3.86Å; R188-F505 HydrophobicContact CG-CE1 4.29Å; I227-F505 HydrophobicContact CG2-CD1 4.44Å; L229-F505 HydrophobicContact CD2-CD1 4.31Å; L229-F505 HydrophobicContact CD2-CE1 3.56Å; L229-F505 HydrophobicContact CD2-CZ 4.49Å; L491-F505 HydrophobicContact CD1-CE1 4.15Å; L491-F505 HydrophobicContact CD1-CZ 3.8Å; L491-F505 HydrophobicContact CD2-CE1 4.47Å; L491-F505 HydrophobicContact CD2-CE2 3.69Å; L491-F505 HydrophobicContact CD2-CZ 3.5Å; L491-F505 VanDerWaalsContact CD2-CZ 3.5Å; L491-F505 HydrophobicContact CG-CZ 4.29Å; L500-F505 HydrophobicContact CD1-CD2 3.44Å; L500-F505 VanDerWaalsContact CD1-CD2 3.44Å; L500-F505 HydrophobicContact CD1-CE2 3.64Å; L500-F505 HydrophobicContact CD1-CG 3.96Å; L500-F505 HydrophobicContact CD1-CZ 4.3Å; L500-F505 HydrophobicContact CD2-CB 3.76Å; L500-F505 HydrophobicContact CD2-CD1 4.31Å; L500-F505 HydrophobicContact CD2-CD2 4.14Å; L500-F505 HydrophobicContact CD2-CG 3.8Å; L500-F505 HydrophobicContact CG-CB 3.88Å; L500-F505 HydrophobicContact CG-CD2 3.6Å; L500-F505 HydrophobicContact CG-CE2 4.32Å; L500-F505 HydrophobicContact CG-CG 3.79Å; D501-F505 WeakPolarHBondContact O-CB 3.06Å; D501-F505 PolarHBondContact O-N 3.22Å
506	Q	96.1	Very high	79.9	Confident	95 Å²	95	76 Å²	76	44%	0.444	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.1	-175.1	-177.1	174.2	8.2	0	0	111	R186 Y187 T189 P502	R186-Q506 WeakPolarHBondContact CA-O 3.44Å; Y187-Q506 HydrophobicContact CE1-CB 4.37Å; Y187-Q506 PolarHBondContact N-O 3.45Å; Y187-Q506 PolarHBondContact O-N 3.45Å; Y187-Q506 PolarHBondContact OH-OE1 3.43Å; Y187-Q506 VanDerWaalsContact OH-OE1 3.13Å; T189-Q506 HydrophobicContact CG2-CB 3.59Å; P502-Q506 WeakPolarHBondContact O-CA 3.09Å
507	Y	95.7	Very high	77	Confident	48 Å²	48	79 Å²	79	19%	0.188	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.3	168	-68	-81.3	0	0	0	110.9	V184 I185 R186	V184-Y507 HydrophobicContact CG1-CD1 3.44Å; V184-Y507 VanDerWaalsContact CG1-CD1 3.44Å; V184-Y507 HydrophobicContact CG1-CE1 3.84Å; I185-Y507 WeakPolarHBondContact O-CA 3.35Å; R186-Y507 HydrophobicContact CG-CD1 3.59Å; R186-Y507 HydrophobicContact CG-CE1 3.69Å; R186-Y507 HydrophobicContact CG-CG 4.24Å
508	F	92.1	Very high	74	Confident	55 Å²	55	81.8 Å²	81.8	24%	0.241	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-63.5	137.6	166.5	-168.7	-98.6	0	0	0	109.5	I185 Y187 A198 Q199 Q202 G510	I185-F508 HydrophobicContact CB-CB 4.01Å; I185-F508 HydrophobicContact CG2-CB 4.2Å; I185-F508 PolarHBondContact O-N 3.43Å; Y187-F508 HydrophobicContact CD1-CB 4.49Å; Y187-F508 HydrophobicContact CE1-CB 4.33Å; Y187-F508 HydrophobicContact CE1-CD2 4.28Å; A198-F508 HydrophobicContact CB-CB 4.46Å; A198-F508 HydrophobicContact CB-CD2 3.91Å; A198-F508 HydrophobicContact CB-CG 4.37Å; Q199-F508 VanDerWaalsContact CA-CZ 3.48Å; Q199-F508 HydrophobicContact CB-CE2 3.58Å; Q199-F508 HydrophobicContact CB-CZ 3.62Å; Q199-F508 HydrophobicContact CG-CE2 4.26Å; Q199-F508 HydrophobicContact CG-CZ 3.83Å; Q202-F508 HydrophobicContact CB-CD1 3.68Å; Q202-F508 HydrophobicContact CB-CE1 3.58Å; Q202-F508 HydrophobicContact CB-CZ 4.44Å; Q202-F508 HydrophobicContact CG-CD1 3.7Å; Q202-F508 HydrophobicContact CG-CE1 3.61Å; F508-G510 VanDerWaalsContact C-N 3.28Å; F508-G510 PolarHBondContact O-N 3.02Å
509	G	83.2	Confident	71	Confident	78 Å²	78	89 Å²	89	80%	0.804	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	71.1	7.6	178.8	0	0	0	0	0	117
510	G	72.2	Confident	68.2	Low	70 Å²	70	89.4 Å²	89.4	72%	0.722	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	96.3	4	174.7	0	0	0	0	0	116.1	F508	F508-G510 VanDerWaalsContact C-N 3.28Å; F508-G510 PolarHBondContact O-N 3.02Å
511	G	68.9	Low	65.1	Low	21 Å²	21	91.8 Å²	91.8	22%	0.216	55%	0.554	C	S	.	*			trans	73.2	173.8	174.6	0	0	0	0	0	114.2	V513	G511-V513 PolarHBondContact O-N 3.19Å
512	P	64.1	Low	62.1	Low	74 Å²	74	96.5 Å²	96.5	48%	0.481	58%	0.579	S	S	.	*			trans	-65.1	125.7	178	24	-30.3	0	0	0	110	R514	P512-R514 VanDerWaalsContact C-N 3.31Å; P512-R514 PolarHBondContact O-N 3.03Å
513	V	48.8	Very low	59.2	Low	144 Å²	144	96.6 Å²	96.6	87%	0.873	59%	0.587	S	S	*	*			trans	-64.1	92.9	170.6	-178	0	0	0	0	107.9	G511 G515	G511-V513 PolarHBondContact O-N 3.19Å; V513-G515 VanDerWaalsContact C-N 3.33Å; V513-G515 PolarHBondContact O-N 3.36Å
514	R	46	Very low	56.4	Low	168 Å²	168	94.4 Å²	94.4	63%	0.634	59%	0.59	S	S	*	*			trans	-71.4	93.8	168.7	-71.9	-168	-179	-174	6.1	107.4	D498 P512	D498-R514 IonicContact OD1-NH2 3.48Å; D498-R514 IonicContact OD2-CZ 2.61Å; D498-R514 IonicContact OD2-NH1 3.56Å; D498-R514 PolarHBondContact OD2-NH1 3.41Å; D498-R514 IonicContact OD2-NH2 3.76Å; D498-R514 PolarHBondContact OD2-NH2 3.46Å; P512-R514 VanDerWaalsContact C-N 3.31Å; P512-R514 PolarHBondContact O-N 3.03Å
515	G	33.3	Very low	53.7	Low	36 Å²	36	100.9 Å²	100.9	37%	0.371	62%	0.622	S	S	.	*			trans	-53.3	146.9	164.3	0	0	0	0	0	109.8	V513 G517	V513-G515 VanDerWaalsContact C-N 3.33Å; V513-G515 PolarHBondContact O-N 3.36Å; G515-G517 VanDerWaalsContact C-N 3.27Å; G515-G517 PolarHBondContact O-N 2.92Å
516	P	31.6	Very low	50.7	Low	150 Å²	150	104.8 Å²	104.8	97%	0.974	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	87.5	177.3	29.2	-33.4	0	0	0	108.7
517	G	32.5	Very low	48	Very low	70 Å²	70	105.2 Å²	105.2	72%	0.722	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	169	-27.3	-178.7	0	0	0	0	0	116.6	G515 R519	G515-G517 VanDerWaalsContact C-N 3.27Å; G515-G517 PolarHBondContact O-N 2.92Å; G517-R519 PolarHBondContact O-N 3.08Å
518	T	32.1	Very low	45.1	Very low	115 Å²	115	114.3 Å²	114.3	71%	0.706	70%	0.703	S	S	*	*			trans	-83.5	69.8	176.5	12.2	0	0	0	0	110.6
519	R	29.3	Very low	42.2	Very low	229 Å²	229	122.2 Å²	122.2	86%	0.864	73%	0.733	S	S	*	*			trans	-51.9	141.1	146.9	-81.5	178.3	168.3	162.6	-3	106.6	G517 G521	G517-R519 PolarHBondContact O-N 3.08Å; R519-G521 PolarHBondContact O-N 3.09Å
520	T	37.6	Very low	39.9	Very low	147 Å²	147	121 Å²	121	90%	0.902	72%	0.721	S	S	*	*	S	Bend	trans	-58	67.1	164.8	51.4	0	0	0	0	109.7
521	G	29.6	Very low	38	Very low	57 Å²	57	124.6 Å²	124.6	59%	0.588	72%	0.721	S	S	*	*			trans	-90.6	122.1	165.9	0	0	0	0	0	105.1	R519 A523	R519-G521 PolarHBondContact O-N 3.09Å; G521-A523 VanDerWaalsContact C-N 3.35Å; G521-A523 PolarHBondContact O-N 2.87Å
522	N	31.9	Very low	36.8	Very low	164 Å²	164	134.9 Å²	134.9	88%	0.877	75%	0.753	S	S	*	*			trans	-41.7	105	162.6	-73.9	-3.3	0	0	0	107.8	P524	N522-P524 WeakPolarHBondContact O-CD 3.37Å; N522-P524 VanDerWaalsContact O-N 3.15Å
523	A	33.4	Very low	35.3	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	77%	0.772	S	S	*	*			trans	-56.9	124.4	169.1	0	0	0	0	0	105.7	G521 M525	G521-A523 VanDerWaalsContact C-N 3.35Å; G521-A523 PolarHBondContact O-N 2.87Å; A523-M525 PolarHBondContact O-N 3.18Å
524	P	34.6	Very low	34.6	Very low	127 Å²	127	140.3 Å²	140.3	83%	0.825	76%	0.756	S	S	*	*			trans	-61.4	114.2	-175.2	22.3	-30.1	0	0	0	108	N522 S526	N522-P524 WeakPolarHBondContact O-CD 3.37Å; N522-P524 VanDerWaalsContact O-N 3.15Å; P524-S526 PolarHBondContact O-N 2.96Å; P524-S526 VanDerWaalsContact O-N 3.12Å
525	M	37.7	Very low	33.9	Very low	179 Å²	179	139 Å²	139	88%	0.882	76%	0.762	S	S	*	*			trans	-56.3	117	-180	-164.7	-175.4	-72	0	0	108.1	A523 A527	A523-M525 PolarHBondContact O-N 3.18Å; M525-A527 PolarHBondContact O-N 2.82Å
526	S	34.5	Very low	33.8	Very low	86 Å²	86	147.4 Å²	147.4	60%	0.601	79%	0.788	S	S	*	*			trans	-60.3	112.8	175.1	175.9	0	0	0	0	108.7	P524 R528 Y529	P524-S526 PolarHBondContact O-N 2.96Å; P524-S526 VanDerWaalsContact O-N 3.12Å; S526-R528 PolarHBondContact O-N 3.43Å; S526-Y529 PolarHBondContact O-N 2.88Å
527	A	39.2	Very low	34.1	Very low	105 Å²	105	144.6 Å²	144.6	87%	0.868	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	4.5	177.9	0	0	0	0	0	113.9	M525	M525-A527 PolarHBondContact O-N 2.82Å
528	R	34.4	Very low	34.2	Very low	238 Å²	238	149.4 Å²	149.4	90%	0.898	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-5.1	176.5	-79.9	-172	-176.4	179.1	2.2	114.9	S526 G530	S526-R528 PolarHBondContact O-N 3.43Å; R528-G530 PolarHBondContact O-N 3.13Å
529	Y	30.9	Very low	34.3	Very low	221 Å²	221	151.9 Å²	151.9	87%	0.867	78%	0.779	S	S	*	*	S	Bend	trans	-82.1	99.3	168.8	-148.4	-99	0	0	0	109.6	S526 M531	S526-Y529 PolarHBondContact O-N 2.88Å; Y529-M531 PolarHBondContact O-N 3.29Å
530	G	35.3	Very low	35.3	Very low	53 Å²	53	144.8 Å²	144.8	55%	0.546	76%	0.763	S	S	.	*			trans	-56.2	118.8	-174.6	0	0	0	0	0	113.2	R528 W532	R528-G530 PolarHBondContact O-N 3.13Å; G530-W532 PolarHBondContact O-N 3.07Å
531	M	33	Very low	36.2	Very low	146 Å²	146	145.5 Å²	145.5	72%	0.719	75%	0.749	S	S	*	*			trans	-75	24.5	179.4	-163.8	71.1	100.3	0	0	113.6	Y529	Y529-M531 PolarHBondContact O-N 3.29Å
532	W	42.8	Very low	37.9	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.894	75%	0.745	S	S	*	*			trans	-92.4	3.3	-168.1	-66.2	94.7	0	0	0	115.5	G530	G530-W532 PolarHBondContact O-N 3.07Å
533	H	33.2	Very low	40.3	Very low	191 Å²	191	139.3 Å²	139.3	88%	0.884	71%	0.712	S	S	*	*	S	Bend	trans	-132.8	75.5	168.1	-80	-80.5	0	0	0	110.9
534	R	34.2	Very low	43.1	Very low	141 Å²	141	135.2 Å²	135.2	53%	0.532	68%	0.678	S	S	.	*			trans	-136.4	105.2	163	-124.8	-179.1	102.2	165.4	10	110.6	K536	R534-K536 PolarHBondContact O-N 2.74Å
535	D	31.1	Very low	46	Very low	141 Å²	141	131.3 Å²	131.3	75%	0.754	65%	0.647	S	S	*	*			trans	-54.1	125.8	163.4	-90.1	-44	0	0	0	109.1	S537	D535-S537 PolarHBondContact O-N 2.95Å
536	K	31	Very low	48.8	Very low	213 Å²	213	122.8 Å²	122.8	93%	0.926	61%	0.605	S	S	*	*	S	Bend	trans	-75.1	3.1	-179.5	-80.1	-178.3	175.9	176.5	0	113.2	R534 Q538	R534-K536 PolarHBondContact O-N 2.74Å; K536-Q538 PolarHBondContact O-N 3.19Å
537	S	37.3	Very low	51.8	Low	90 Å²	90	118.7 Å²	118.7	63%	0.629	58%	0.577	S	S	*	*	S	Bend	trans	-85.9	106.2	173.3	54.1	0	0	0	0	110	D535	D535-S537 PolarHBondContact O-N 2.95Å
538	Q	34.9	Very low	54.7	Low	172 Å²	172	113.7 Å²	113.7	80%	0.804	54%	0.535	S	S	*	.			trans	74.3	100	177.5	-46.6	-174.3	14.3	0	0	114	K536 P540	K536-Q538 PolarHBondContact O-N 3.19Å; Q538-P540 WeakPolarHBondContact O-CD 3.4Å
539	Q	35.6	Very low	57.7	Low	166 Å²	166	102.4 Å²	102.4	78%	0.776	49%	0.493	S	S	*	.			trans	-65.1	112.6	157.9	-65	-172.1	-41.4	0	0	106.8	R541	Q539-R541 PolarHBondContact O-N 3.45Å
540	P	49.1	Very low	61	Low	81 Å²	81	91.9 Å²	91.9	53%	0.526	45%	0.451	S	S	.	.			trans	-61.7	129.5	169.3	25.9	-31.2	0	0	0	107	Q538 S542	Q538-P540 WeakPolarHBondContact O-CD 3.4Å; P540-S542 PolarHBondContact O-N 2.75Å
541	R	56.5	Low	64	Low	161 Å²	161	89.3 Å²	89.3	61%	0.608	43%	0.425	S	S	*	.			trans	-49.5	110.1	166.2	-79.2	-178.3	169.3	139.1	-5.8	106.7	Q539	Q539-R541 PolarHBondContact O-N 3.45Å
542	S	65	Low	67	Low	73 Å²	73	82.4 Å²	82.4	51%	0.51	39%	0.391	S	S	.	.			trans	-116.9	75.9	179.9	-178.5	0	0	0	0	105.5	Q220 P540	Q220-S542 VanDerWaalsContact CD-O 3.3Å; Q220-S542 PolarHBondContact NE2-O 2.67Å; Q220-S542 PolarHBondContact OE1-O 2.94Å; P540-S542 PolarHBondContact O-N 2.75Å
543	G	83.5	Confident	69.7	Low	18 Å²	18	71.1 Å²	71.1	19%	0.186	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-99.5	159.1	159.9	0	0	0	0	0	108.5	Q573	G543-Q573 VanDerWaalsContact CA-O 3.29Å; G543-Q573 WeakPolarHBondContact CA-O 3.46Å
544	P	91.7	Very high	72.8	Confident	2 Å²	2	62 Å²	62	1%	0.013	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.4	159	165.2	27.2	-37.6	0	0	0	111.7	Q220 R223 Q573 W574 D575	Q220-P544 HydrophobicContact CB-CB 4.15Å; Q220-P544 WeakPolarHBondContact O-CB 3.32Å; Q220-P544 VanDerWaalsContact OE1-N 3.08Å; R223-P544 HydrophobicContact CB-CB 3.7Å; R223-P544 HydrophobicContact CB-CG 4.29Å; P544-Q573 WeakPolarHBondContact CD-O 3.47Å; P544-W574 HydrophobicContact CB-CE3 3.81Å; P544-W574 HydrophobicContact CB-CH2 4.33Å; P544-W574 HydrophobicContact CB-CZ3 3.58Å; P544-W574 HydrophobicContact CG-CD2 3.88Å; P544-W574 HydrophobicContact CG-CE3 3.41Å; P544-W574 VanDerWaalsContact CG-CE3 3.41Å; P544-W574 HydrophobicContact CG-CH2 3.92Å; P544-W574 HydrophobicContact CG-CZ2 4.34Å; P544-W574 HydrophobicContact CG-CZ3 3.44Å; P544-W574 VanDerWaalsContact CG-CZ3 3.44Å; P544-W574 WeakPolarHBondContact O-CA 3.33Å; P544-D575 PolarHBondContact O-N 3.13Å
545	R	94.8	Very high	75.9	Confident	45 Å²	45	55.6 Å²	55.6	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.4	-176.8	-70.6	-174.1	-178.6	124.8	-12.8	113.4	L179 E181 S224 Q225 I547 D575	L179-R545 PolarHBondContact O-NH1 3.5Å; E181-R545 VanDerWaalsContact OE1-CD 3.27Å; E181-R545 WeakPolarHBondContact OE1-CD 3.38Å; E181-R545 IonicContact OE1-CZ 3.27Å; E181-R545 IonicContact OE1-NE 3.54Å; E181-R545 IonicContact OE1-NH1 3.97Å; E181-R545 PolarHBondContact OE1-NH1 3.3Å; S224-R545 CarbonylContact C-O 3.54Å; S224-R545 VanDerWaalsContact CA-O 3.24Å; S224-R545 WeakPolarHBondContact CA-O 3.12Å; S224-R545 PolarHBondContact OG-N 2.96Å; Q225-R545 PolarHBondContact N-O 2.84Å; R545-I547 HydrophobicContact CB-CG1 4.38Å; R545-D575 VanDerWaalsContact CA-O 3.25Å; R545-D575 WeakPolarHBondContact CA-O 3.46Å; R545-D575 HydrophobicContact CG-CB 3.95Å; R545-D575 IonicContact NE-OD2 2.67Å; R545-D575 PolarHBondContact NE-OD2 2.92Å; R545-D575 VanDerWaalsContact NE-OD2 3.11Å
546	L	96.8	Very high	79.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.3	161.3	-64.4	176.8	0	0	0	108	Q225 A495 A496 F548 W574 D575 I576 I577	Q225-L546 HydrophobicContact CB-CD2 3.94Å; Q225-L546 HydrophobicContact CG-CD2 4.42Å; A495-L546 HydrophobicContact CB-CD1 3.95Å; A495-L546 HydrophobicContact CB-CD2 4.31Å; A496-L546 HydrophobicContact CB-CD1 3.9Å; L546-F548 HydrophobicContact CB-CD2 4.33Å; L546-F548 HydrophobicContact CB-CE2 3.91Å; L546-F548 HydrophobicContact CD1-CE2 4.4Å; L546-W574 HydrophobicContact CD1-CD2 4.06Å; L546-W574 HydrophobicContact CD1-CE3 4.05Å; L546-W574 HydrophobicContact CD1-CG 4.29Å; L546-W574 HydrophobicContact CD2-CE3 3.78Å; L546-W574 HydrophobicContact CD2-CH2 4.14Å; L546-W574 HydrophobicContact CD2-CZ3 3.58Å; L546-W574 HydrophobicContact CG-CD2 3.98Å; L546-W574 HydrophobicContact CG-CE3 3.46Å; L546-W574 VanDerWaalsContact CG-CE3 3.46Å; L546-W574 HydrophobicContact CG-CZ3 3.84Å; L546-D575 PolarHBondContact N-O 2.96Å; L546-I576 HydrophobicContact CB-CG1 4.46Å; L546-I576 WeakPolarHBondContact O-CA 3.46Å; L546-I577 PolarHBondContact O-N 3.01Å
547	I	98.3	Very high	82.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.9	178.3	-55	167.7	0	0	0	107.4	F140 L175 L179 Q225 L226 I227 R545 I577	F140-I547 HydrophobicContact CE1-CG2 4.13Å; F140-I547 HydrophobicContact CZ-CG2 4.34Å; L175-I547 HydrophobicContact CD2-CG2 4.17Å; L179-I547 HydrophobicContact CD1-CD1 4.07Å; Q225-I547 PolarHBondContact O-N 3.01Å; L226-I547 CarbonylContact C-O 3.5Å; L226-I547 WeakPolarHBondContact CA-O 3.48Å; L226-I547 HydrophobicContact CD1-CB 3.96Å; L226-I547 HydrophobicContact CD1-CG2 3.67Å; I227-I547 PolarHBondContact N-O 3.14Å; R545-I547 HydrophobicContact CB-CG1 4.38Å; I547-I577 CarbonylContact C-O 3.53Å; I547-I577 WeakPolarHBondContact CA-O 3.45Å; I547-I577 HydrophobicContact CG1-CB 4.36Å; I547-I577 HydrophobicContact CG2-CG2 4.48Å
548	F	98.7	Very high	85.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.9	175.2	-77.4	-97.1	0	0	0	109.6	I227 L229 I488 L491 M492 A495 L546 I576 I577 V578 G579	I227-F548 HydrophobicContact CB-CD1 3.92Å; I227-F548 HydrophobicContact CB-CE1 3.96Å; I227-F548 HydrophobicContact CB-CG 4.45Å; I227-F548 HydrophobicContact CB-CZ 4.5Å; I227-F548 HydrophobicContact CD1-CD1 4.3Å; I227-F548 HydrophobicContact CD1-CE1 3.59Å; I227-F548 HydrophobicContact CD1-CE2 3.87Å; I227-F548 HydrophobicContact CD1-CZ 3.33Å; I227-F548 HydrophobicContact CG1-CE1 4.38Å; I227-F548 HydrophobicContact CG1-CZ 4.48Å; I227-F548 HydrophobicContact CG2-CD1 3.98Å; I227-F548 HydrophobicContact CG2-CE1 3.85Å; L229-F548 HydrophobicContact CD1-CD1 4.1Å; I488-F548 HydrophobicContact CD1-CB 4.38Å; I488-F548 HydrophobicContact CD1-CD1 4.4Å; I488-F548 HydrophobicContact CG1-CD1 4.23Å; L491-F548 HydrophobicContact CB-CE1 4.05Å; M492-F548 HydrophobicContact CB-CE2 4.2Å; M492-F548 HydrophobicContact CB-CZ 4.17Å; M492-F548 HydrophobicContact CE-CD2 4.34Å; M492-F548 HydrophobicContact CE-CG 4.43Å; M492-F548 HydrophobicContact CG-CD2 3.97Å; M492-F548 HydrophobicContact CG-CE1 4.23Å; M492-F548 HydrophobicContact CG-CE2 3.56Å; M492-F548 HydrophobicContact CG-CG 4.46Å; M492-F548 HydrophobicContact CG-CZ 3.71Å; A495-F548 HydrophobicContact CB-CZ 3.96Å; L546-F548 HydrophobicContact CB-CD2 4.33Å; L546-F548 HydrophobicContact CB-CE2 3.91Å; L546-F548 HydrophobicContact CD1-CE2 4.4Å; F548-I576 HydrophobicContact CD2-CG2 4.48Å; F548-I577 PolarHBondContact N-O 2.94Å; F548-V578 HydrophobicContact CB-CB 4.49Å; F548-V578 HydrophobicContact CB-CG2 3.92Å; F548-V578 CarbonylContact O-C 3.53Å; F548-V578 WeakPolarHBondContact O-CA 3.21Å; F548-G579 PolarHBondContact O-N 3.41Å
549	F	98.9	Very high	88.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.7	176	-178.9	-101.6	0	0	0	111.4	F140 L142 I168 I172 F197 L226 I227 L228 L229 I551 G579 G580 T581	F140-F549 AromaticContact CE2-CD2 3.58Å; F140-F549 HydrophobicContact CE2-CD2 3.58Å; F140-F549 HydrophobicContact CE2-CE2 4.04Å; F140-F549 HydrophobicContact CZ-CB 4.38Å; F140-F549 AromaticContact CZ-CD2 3.73Å; F140-F549 HydrophobicContact CZ-CD2 3.73Å; L142-F549 HydrophobicContact CD1-CE2 3.49Å; L142-F549 VanDerWaalsContact CD1-CE2 3.49Å; L142-F549 HydrophobicContact CD1-CZ 3.41Å; L142-F549 VanDerWaalsContact CD1-CZ 3.41Å; L142-F549 HydrophobicContact CD2-CE2 4.39Å; L142-F549 HydrophobicContact CG-CE2 3.72Å; L142-F549 HydrophobicContact CG-CZ 4.11Å; I168-F549 HydrophobicContact CG2-CE1 4.03Å; I168-F549 HydrophobicContact CG2-CZ 3.9Å; I172-F549 HydrophobicContact CD1-CD1 3.54Å; I172-F549 HydrophobicContact CD1-CD2 4.12Å; I172-F549 HydrophobicContact CD1-CE1 3.59Å; I172-F549 HydrophobicContact CD1-CE2 4.15Å; I172-F549 HydrophobicContact CD1-CG 3.8Å; I172-F549 HydrophobicContact CD1-CZ 3.89Å; I172-F549 HydrophobicContact CG1-CD2 4.26Å; I172-F549 HydrophobicContact CG1-CE2 4.26Å; I172-F549 HydrophobicContact CG1-CG 4.36Å; I172-F549 HydrophobicContact CG1-CZ 4.39Å; F197-F549 AromaticContact CE1-CD1 3.84Å; F197-F549 HydrophobicContact CE1-CD1 3.84Å; F197-F549 AromaticContact CE1-CE1 3.71Å; F197-F549 HydrophobicContact CE1-CE1 3.71Å; F197-F549 HydrophobicContact CZ-CD1 4.04Å; F197-F549 AromaticContact CZ-CE1 3.64Å; F197-F549 HydrophobicContact CZ-CE1 3.64Å; L226-F549 HydrophobicContact CD1-CB 4.34Å; I227-F549 PolarHBondContact O-N 2.99Å; L228-F549 HydrophobicContact CD2-CB 3.96Å; L228-F549 HydrophobicContact CD2-CD1 4.17Å; L228-F549 HydrophobicContact CD2-CG 4.47Å; L229-F549 PolarHBondContact N-O 3.14Å; F549-I551 HydrophobicContact CE1-CB 3.94Å; F549-G579 CarbonylContact C-O 3.58Å; F549-G579 WeakPolarHBondContact CA-O 3.48Å; F549-G580 VanDerWaalsContact CE2-C 3.43Å; F549-T581 HydrophobicContact CZ-CG2 3.84Å
550	V	98.8	Very high	91.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.9	177.5	-168.4	0	0	0	0	110.9	L229 F233 I488 G552 G553 I554 G579 G580 T581	L229-V550 HydrophobicContact CB-CG2 4.31Å; L229-V550 HydrophobicContact CD1-CG2 4.25Å; L229-V550 CarbonylContact O-C 3.54Å; L229-V550 WeakPolarHBondContact O-CA 3.49Å; F233-V550 HydrophobicContact CD1-CG1 4.35Å; F233-V550 HydrophobicContact CE1-CG1 3.86Å; F233-V550 HydrophobicContact CE1-CG2 4.13Å; F233-V550 HydrophobicContact CZ-CG2 4.49Å; I488-V550 HydrophobicContact CD1-CG2 4.2Å; V550-G552 PolarHBondContact O-N 3.29Å; V550-G553 WeakPolarHBondContact CG1-O 3.23Å; V550-G553 PolarHBondContact O-N 3.01Å; V550-I554 HydrophobicContact CG2-CB 4.49Å; V550-I554 HydrophobicContact CG2-CD1 4.47Å; V550-G579 PolarHBondContact N-O 2.94Å; V550-G580 WeakPolarHBondContact O-CA 3.47Å; V550-T581 PolarHBondContact O-N 3.12Å
551	I	98.2	Very high	93.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.4	170.1	-170.1	155.4	0	0	0	110	Y151 L165 I168 F197 L229 D230 R231 F549 T581	Y151-I551 HydrophobicContact CD1-CD1 4.09Å; Y151-I551 HydrophobicContact CD1-CG1 4Å; Y151-I551 HydrophobicContact CD1-CG2 3.82Å; Y151-I551 HydrophobicContact CD2-CD1 3.34Å; Y151-I551 HydrophobicContact CD2-CG1 4.14Å; Y151-I551 HydrophobicContact CE1-CD1 4.29Å; Y151-I551 HydrophobicContact CE1-CG1 4.35Å; Y151-I551 HydrophobicContact CE1-CG2 3.42Å; Y151-I551 VanDerWaalsContact CE1-CG2 3.42Å; Y151-I551 HydrophobicContact CE2-CD1 3.62Å; Y151-I551 HydrophobicContact CE2-CG2 4.46Å; Y151-I551 HydrophobicContact CG-CD1 3.6Å; Y151-I551 HydrophobicContact CG-CG1 3.86Å; Y151-I551 HydrophobicContact CG-CG2 4.44Å; L165-I551 HydrophobicContact CD1-CD1 3.82Å; I168-I551 HydrophobicContact CD1-CD1 3.92Å; F197-I551 HydrophobicContact CD1-CD1 4.29Å; F197-I551 HydrophobicContact CE1-CB 4.19Å; F197-I551 HydrophobicContact CE1-CD1 4.03Å; F197-I551 HydrophobicContact CE1-CG2 4.45Å; F197-I551 HydrophobicContact CZ-CD1 4.19Å; L229-I551 WeakPolarHBondContact O-CG2 3.27Å; L229-I551 PolarHBondContact O-N 3.41Å; D230-I551 HydrophobicContact CB-CG2 4.04Å; R231-I551 PolarHBondContact N-O 2.84Å; F549-I551 HydrophobicContact CE1-CB 3.94Å; I551-T581 HydrophobicContact CG1-CG2 4.02Å
552	G	97.7	Very high	95.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	5.8	-169.1	0	0	0	0	0	114.6	F148 V550 T581	F148-G552 WeakPolarHBondContact CD2-O 3.44Å; V550-G552 PolarHBondContact O-N 3.29Å; G552-T581 PolarHBondContact N-OG1 3.34Å
553	G	98.4	Very high	96.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.			trans	95.6	162.1	168.7	0	0	0	0	0	114.4	R231 V550 T581 H582	R231-G553 WeakPolarHBondContact CD-O 3.34Å; R231-G553 PolarHBondContact NH1-O 2.8Å; V550-G553 WeakPolarHBondContact CG1-O 3.23Å; V550-G553 PolarHBondContact O-N 3.01Å; G553-T581 PolarHBondContact N-OG1 2.81Å; G553-H582 CarbonylContact C-O 3.6Å; G553-H582 WeakPolarHBondContact CA-O 3.3Å
554	I	98.7	Very high	97.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.2	-173.9	-172.5	169.3	0	0	0	110.8	V550 E558 I559 V578 H582 I583 L584	V550-I554 HydrophobicContact CG2-CB 4.49Å; V550-I554 HydrophobicContact CG2-CD1 4.47Å; I554-E558 HydrophobicContact CD1-CB 3.93Å; I554-E558 HydrophobicContact CG1-CB 3.57Å; I554-E558 WeakPolarHBondContact CG1-OE2 3.46Å; I554-I559 HydrophobicContact CD1-CG1 4.08Å; I554-I559 HydrophobicContact CG1-CG1 4.25Å; I554-I559 HydrophobicContact CG2-CD1 4.26Å; I554-I559 HydrophobicContact CG2-CG1 4.34Å; I554-V578 HydrophobicContact CD1-CB 4.27Å; I554-V578 HydrophobicContact CD1-CG1 4.2Å; I554-V578 HydrophobicContact CD1-CG2 3.19Å; I554-H582 PolarHBondContact N-O 2.95Å; I554-I583 HydrophobicContact CG2-CG1 4.31Å; I554-I583 CarbonylContact O-C 3.54Å; I554-I583 WeakPolarHBondContact O-CA 3.15Å; I554-L584 PolarHBondContact O-N 3.26Å
555	S	98.5	Very high	97.5	Very high	5 Å²	5	8.3 Å²	8.3	4%	0.035	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	160.9	177.2	61.4	0	0	0	0	112.8	S557 E558 I559	S555-S557 PolarHBondContact O-N 3.42Å; S555-S557 PolarHBondContact OG-OG 3.35Å; S555-E558 PolarHBondContact N-OE2 3.49Å; S555-E558 WeakPolarHBondContact O-CB 3.49Å; S555-E558 PolarHBondContact O-N 3.26Å; S555-E558 VanDerWaalsContact O-N 3.13Å; S555-E558 VanDerWaalsContact OG-CG 3.27Å; S555-E558 WeakPolarHBondContact OG-CG 3.44Å; S555-E558 PolarHBondContact OG-N 2.9Å; S555-E558 PolarHBondContact OG-OE2 3.37Å; S555-I559 WeakPolarHBondContact O-CG1 3.3Å; S555-I559 PolarHBondContact O-N 3.05Å
556	Y	98.6	Very high	97.1	Very high	20 Å²	20	6.4 Å²	6.4	8%	0.078	3%	0.03	C	C	.	.	H	α-helix	trans	-59.6	-31.1	171.9	-73.8	-70.3	0	0	0	113.3	Q246 Y250 E558 I559 R560 I583 V585	Q246-Y556 VanDerWaalsContact CD-CD1 3.47Å; Q246-Y556 HydrophobicContact CG-CD1 3.58Å; Q246-Y556 HydrophobicContact CG-CE1 3.92Å; Q246-Y556 HydrophobicContact CG-CG 4.21Å; Y250-Y556 VanDerWaalsContact CB-CE2 3.44Å; Y250-Y556 AromaticContact CD1-CE2 3.72Å; Y250-Y556 HydrophobicContact CD1-CE2 3.72Å; Y250-Y556 AromaticContact CD1-CZ 3.68Å; Y250-Y556 WeakPolarHBondContact CD1-OH 3.22Å; Y250-Y556 HydrophobicContact CD2-CE1 4.22Å; Y250-Y556 AromaticContact CD2-CE2 3.91Å; Y250-Y556 HydrophobicContact CD2-CE2 3.91Å; Y250-Y556 AromaticContact CD2-CZ 3.74Å; Y250-Y556 HydrophobicContact CE1-CE2 4.39Å; Y250-Y556 AromaticContact CE1-CZ 3.88Å; Y250-Y556 WeakPolarHBondContact CE1-OH 3.13Å; Y250-Y556 HydrophobicContact CE2-CE1 4.25Å; Y250-Y556 AromaticContact CE2-CZ 3.95Å; Y250-Y556 HydrophobicContact CG-CD2 4.22Å; Y250-Y556 HydrophobicContact CG-CE1 4.48Å; Y250-Y556 AromaticContact CG-CE2 3.42Å; Y250-Y556 HydrophobicContact CG-CE2 3.42Å; Y250-Y556 VanDerWaalsContact CG-CE2 3.42Å; Y250-Y556 AromaticContact CG-CZ 3.58Å; Y250-Y556 AromaticContact CZ-CZ 3.99Å; Y556-E558 VanDerWaalsContact C-N 3.33Å; Y556-E558 PolarHBondContact O-N 3.43Å; Y556-I559 HydrophobicContact CD1-CD1 4.14Å; Y556-I559 PolarHBondContact O-N 3.02Å; Y556-R560 PolarHBondContact O-N 2.75Å; Y556-I583 HydrophobicContact CD1-CG2 4.37Å; Y556-I583 HydrophobicContact CD2-CG2 4.1Å; Y556-I583 HydrophobicContact CE1-CG2 3.96Å; Y556-I583 HydrophobicContact CE2-CG2 3.66Å; Y556-I583 HydrophobicContact CG-CG2 4.44Å; Y556-V585 HydrophobicContact CD2-CG1 4.35Å; Y556-V585 HydrophobicContact CE2-CG1 4Å
557	S	98.1	Very high	96.7	Very high	6 Å²	6	11.9 Å²	11.9	4%	0.042	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-40.9	174.3	57.3	0	0	0	0	112.4	S237 E242 S555 R560 C561	S237-S557 PolarHBondContact O-OG 3.38Å; E242-S557 WeakPolarHBondContact OE1-CA 3.42Å; E242-S557 WeakPolarHBondContact OE1-CB 3.22Å; E242-S557 WeakPolarHBondContact OE2-CA 3.44Å; E242-S557 WeakPolarHBondContact OE2-CB 3.31Å; E242-S557 PolarHBondContact OE2-N 3.21Å; S555-S557 PolarHBondContact O-N 3.42Å; S555-S557 PolarHBondContact OG-OG 3.35Å; S557-R560 WeakPolarHBondContact O-CB 3.29Å; S557-C561 PolarHBondContact O-N 3.26Å; S557-C561 PolarHBondContact O-SG 3.03Å
558	E	98.7	Very high	96.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-73.4	-39.9	177.9	-70.2	171.3	145.8	0	0	111.6	R231 F233 P486 I488 I554 S555 Y556 R560 C561	R231-E558 IonicContact CZ-OE1 3.03Å; R231-E558 IonicContact CZ-OE2 3.38Å; R231-E558 IonicContact NH1-OE1 3.33Å; R231-E558 PolarHBondContact NH1-OE1 3Å; R231-E558 IonicContact NH1-OE2 2.89Å; R231-E558 PolarHBondContact NH1-OE2 3.41Å; R231-E558 IonicContact NH2-OE1 3.58Å; R231-E558 PolarHBondContact NH2-OE1 3.45Å; R231-E558 IonicContact NH2-OE2 2.77Å; R231-E558 PolarHBondContact NH2-OE2 3.26Å; F233-E558 VanDerWaalsContact CZ-OE1 3.27Å; F233-E558 WeakPolarHBondContact CZ-OE1 3.41Å; P486-E558 HydrophobicContact CB-CG 4Å; I488-E558 HydrophobicContact CB-CG 4.48Å; I488-E558 HydrophobicContact CG2-CB 3.81Å; I488-E558 HydrophobicContact CG2-CG 3.82Å; I554-E558 HydrophobicContact CD1-CB 3.93Å; I554-E558 HydrophobicContact CG1-CB 3.57Å; I554-E558 WeakPolarHBondContact CG1-OE2 3.46Å; S555-E558 PolarHBondContact N-OE2 3.49Å; S555-E558 WeakPolarHBondContact O-CB 3.49Å; S555-E558 PolarHBondContact O-N 3.26Å; S555-E558 VanDerWaalsContact O-N 3.13Å; S555-E558 VanDerWaalsContact OG-CG 3.27Å; S555-E558 WeakPolarHBondContact OG-CG 3.44Å; S555-E558 PolarHBondContact OG-N 2.9Å; S555-E558 PolarHBondContact OG-OE2 3.37Å; Y556-E558 VanDerWaalsContact C-N 3.33Å; Y556-E558 PolarHBondContact O-N 3.43Å; E558-R560 VanDerWaalsContact C-N 3.32Å; E558-R560 PolarHBondContact O-N 2.89Å; E558-C561 WeakPolarHBondContact O-CB 3.29Å; E558-C561 PolarHBondContact O-N 3.16Å
559	I	98.6	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.9	-47.8	172.1	-73.5	165.1	0	0	0	110.6	V139 I554 S555 Y556 C561 A562 Y563 V578 I583	V139-I559 HydrophobicContact CG1-CD1 3.82Å; V139-I559 HydrophobicContact CG1-CG1 3.89Å; V139-I559 HydrophobicContact CG2-CB 4.47Å; V139-I559 HydrophobicContact CG2-CG1 4.3Å; V139-I559 HydrophobicContact CG2-CG2 3.55Å; I554-I559 HydrophobicContact CD1-CG1 4.08Å; I554-I559 HydrophobicContact CG1-CG1 4.25Å; I554-I559 HydrophobicContact CG2-CD1 4.26Å; I554-I559 HydrophobicContact CG2-CG1 4.34Å; S555-I559 WeakPolarHBondContact O-CG1 3.3Å; S555-I559 PolarHBondContact O-N 3.05Å; Y556-I559 HydrophobicContact CD1-CD1 4.14Å; Y556-I559 PolarHBondContact O-N 3.02Å; I559-C561 PolarHBondContact O-N 3.43Å; I559-A562 WeakPolarHBondContact O-CB 3.46Å; I559-A562 PolarHBondContact O-N 3.33Å; I559-A562 VanDerWaalsContact O-N 3.13Å; I559-Y563 HydrophobicContact CG2-CD2 4.28Å; I559-Y563 HydrophobicContact CG2-CE2 3.98Å; I559-Y563 WeakPolarHBondContact O-CD2 3.17Å; I559-V578 HydrophobicContact CG1-CG1 4.5Å; I559-I583 HydrophobicContact CD1-CD1 3.95Å; I559-I583 HydrophobicContact CD1-CG1 4.18Å; I559-I583 HydrophobicContact CD1-CG2 4.18Å
560	R	97.7	Very high	95.1	Very high	21 Å²	21	20 Å²	20	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-53.8	-39	178.7	-175.2	-170.5	70.2	-140.3	-18.5	112.3	E242 T244 H289 Y556 S557 E558 A562 Y563 E564	E242-R560 IonicContact OE1-CZ 3.79Å; E242-R560 IonicContact OE1-NH1 3.14Å; E242-R560 PolarHBondContact OE1-NH1 3.31Å; E242-R560 IonicContact OE1-NH2 3.89Å; E242-R560 PolarHBondContact OE1-NH2 3.03Å; E242-R560 IonicContact OE2-NH1 3.79Å; T244-R560 PolarHBondContact OG1-NH1 2.81Å; H289-R560 HydrophobicContact CB-CG 3.87Å; Y556-R560 PolarHBondContact O-N 2.75Å; S557-R560 WeakPolarHBondContact O-CB 3.29Å; E558-R560 VanDerWaalsContact C-N 3.32Å; E558-R560 PolarHBondContact O-N 2.89Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.99Å; R560-Y563 WeakPolarHBondContact O-CA 3.43Å; R560-Y563 WeakPolarHBondContact O-CB 3.39Å; R560-Y563 PolarHBondContact O-N 2.65Å; R560-E564 WeakPolarHBondContact CD-OE1 3.42Å; R560-E564 HydrophobicContact CG-CG 4.12Å; R560-E564 IonicContact CZ-OE1 3.53Å; R560-E564 IonicContact NE-OE1 3.58Å; R560-E564 PolarHBondContact NE-OE1 3.01Å; R560-E564 PolarHBondContact O-N 3.09Å
561	C	97.4	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-38.1	-178.2	-62.4	0	0	0	0	112.4	I488 K489 M492 S557 E558 I559 Y563 E564 L565	I488-C561 HydrophobicContact CG2-CB 4.14Å; K489-C561 HydrophobicContact CB-CB 3.89Å; K489-C561 HydrophobicContact CD-CB 4.38Å; K489-C561 HydrophobicContact CG-CB 4.1Å; M492-C561 HydrophobicContact SD-CB 4.13Å; S557-C561 PolarHBondContact O-N 3.26Å; S557-C561 PolarHBondContact O-SG 3.03Å; E558-C561 WeakPolarHBondContact O-CB 3.29Å; E558-C561 PolarHBondContact O-N 3.16Å; I559-C561 PolarHBondContact O-N 3.43Å; C561-Y563 VanDerWaalsContact C-N 3.28Å; C561-Y563 PolarHBondContact O-N 2.85Å; C561-E564 PolarHBondContact O-N 3.36Å; C561-L565 WeakPolarHBondContact O-CB 3.19Å; C561-L565 PolarHBondContact O-N 3.46Å
562	A	96.7	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-34.4	174.5	0	0	0	0	0	112	R138 M492 I559 R560 T566 I576 V578	R138-A562 PolarHBondContact NH1-O 3.15Å; R138-A562 VanDerWaalsContact NH1-O 3.17Å; M492-A562 HydrophobicContact CE-CB 3.92Å; M492-A562 HydrophobicContact SD-CB 4.33Å; I559-A562 WeakPolarHBondContact O-CB 3.46Å; I559-A562 PolarHBondContact O-N 3.33Å; I559-A562 VanDerWaalsContact O-N 3.13Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.99Å; A562-T566 PolarHBondContact O-N 3.03Å; A562-T566 PolarHBondContact O-OG1 3.07Å; A562-I576 HydrophobicContact CB-CG2 4.1Å; A562-V578 HydrophobicContact CB-CB 4.26Å; A562-V578 HydrophobicContact CB-CG1 3.79Å
563	Y	95.8	Very high	93.1	Very high	17 Å²	17	32.1 Å²	32.1	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-73.4	-45.1	176.5	-73.1	-86.8	0	0	0	114.1	E136 R138 V139 R288 H289 I559 R560 C561 L565 T566 N567	E136-Y563 WeakPolarHBondContact CB-OH 3.49Å; E136-Y563 WeakPolarHBondContact OE2-CE2 3.43Å; E136-Y563 PolarHBondContact OE2-OH 3.33Å; R138-Y563 HydrophobicContact CG-CE1 3.98Å; R138-Y563 HydrophobicContact CG-CE2 3.87Å; R138-Y563 VanDerWaalsContact CZ-CE1 3.42Å; R138-Y563 VanDerWaalsContact NE-CE1 3.31Å; R138-Y563 VanDerWaalsContact NH1-CA 3.32Å; V139-Y563 HydrophobicContact CG2-CE2 3.84Å; R288-Y563 PolarHBondContact NH2-OH 3.38Å; H289-Y563 AromaticContact CD2-CD2 4Å; H289-Y563 AromaticContact CD2-CG 3.61Å; H289-Y563 AromaticContact CE1-CD2 3.57Å; H289-Y563 AromaticContact CE1-CE2 3.98Å; H289-Y563 AromaticContact CE1-CG 4Å; H289-Y563 AromaticContact NE2-CD1 3.69Å; H289-Y563 AromaticContact NE2-CD2 3.19Å; H289-Y563 WeakPolarHBondContact NE2-CD2 3.27Å; H289-Y563 AromaticContact NE2-CE2 3.62Å; H289-Y563 AromaticContact NE2-CG 3.21Å; I559-Y563 HydrophobicContact CG2-CD2 4.28Å; I559-Y563 HydrophobicContact CG2-CE2 3.98Å; I559-Y563 WeakPolarHBondContact O-CD2 3.17Å; R560-Y563 WeakPolarHBondContact O-CA 3.43Å; R560-Y563 WeakPolarHBondContact O-CB 3.39Å; R560-Y563 PolarHBondContact O-N 2.65Å; C561-Y563 VanDerWaalsContact C-N 3.28Å; C561-Y563 PolarHBondContact O-N 2.85Å; Y563-L565 VanDerWaalsContact C-N 3.32Å; Y563-L565 PolarHBondContact O-N 3.17Å; Y563-T566 PolarHBondContact O-N 2.93Å; Y563-N567 PolarHBondContact O-ND2 3.5Å
564	E	94.3	Very high	92.9	Very high	58 Å²	58	32.8 Å²	32.8	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-57.6	-47.9	175.8	-70.4	175.2	173.5	0	0	111.1	K489 R560 C561 T566 N567	K489-E564 WeakPolarHBondContact CE-OE2 3.45Å; K489-E564 IonicContact NZ-OE2 3.64Å; K489-E564 PolarHBondContact NZ-OE2 2.98Å; R560-E564 WeakPolarHBondContact CD-OE1 3.42Å; R560-E564 HydrophobicContact CG-CG 4.12Å; R560-E564 IonicContact CZ-OE1 3.53Å; R560-E564 IonicContact NE-OE1 3.58Å; R560-E564 PolarHBondContact NE-OE1 3.01Å; R560-E564 PolarHBondContact O-N 3.09Å; C561-E564 PolarHBondContact O-N 3.36Å; E564-T566 VanDerWaalsContact C-N 3.34Å; E564-T566 PolarHBondContact O-N 3.4Å; E564-N567 PolarHBondContact O-N 3.03Å; E564-N567 VanDerWaalsContact O-N 3.09Å
565	L	93.3	Very high	92.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-38.9	-174.5	-170.3	57.3	0	0	0	111.8	M492 E493 C561 Y563 N567 T568 L570 G571 I576	M492-L565 HydrophobicContact CB-CD2 3.52Å; E493-L565 HydrophobicContact CG-CD1 3.81Å; E493-L565 HydrophobicContact CG-CD2 4.29Å; C561-L565 WeakPolarHBondContact O-CB 3.19Å; C561-L565 PolarHBondContact O-N 3.46Å; Y563-L565 VanDerWaalsContact C-N 3.32Å; Y563-L565 PolarHBondContact O-N 3.17Å; L565-N567 PolarHBondContact O-N 3.14Å; L565-N567 VanDerWaalsContact O-N 3.15Å; L565-T568 HydrophobicContact CD1-CG2 4.3Å; L565-T568 WeakPolarHBondContact O-CB 3.41Å; L565-T568 PolarHBondContact O-N 3.05Å; L565-T568 PolarHBondContact O-OG1 3.43Å; L565-L570 HydrophobicContact CD1-CD2 4.29Å; L565-G571 WeakPolarHBondContact O-CA 3.11Å; L565-G571 PolarHBondContact O-N 3.42Å; L565-I576 HydrophobicContact CB-CD1 4.11Å; L565-I576 HydrophobicContact CD2-CD1 3.28Å; L565-I576 HydrophobicContact CG-CD1 3.72Å
566	T	88.3	Confident	92.4	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-23.4	176.3	-59.3	0	0	0	0	114.2	R138 A562 Y563 E564 T568	R138-T566 PolarHBondContact NH1-OG1 3.32Å; A562-T566 PolarHBondContact O-N 3.03Å; A562-T566 PolarHBondContact O-OG1 3.07Å; Y563-T566 PolarHBondContact O-N 2.93Å; E564-T566 VanDerWaalsContact C-N 3.34Å; E564-T566 PolarHBondContact O-N 3.4Å; T566-T568 VanDerWaalsContact C-N 3.31Å
567	N	87.2	Confident	92.4	Very high	114 Å²	114	33.8 Å²	33.8	61%	0.61	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.7	176.3	-67.7	-33.3	0	0	0	113	Y563 E564 L565	Y563-N567 PolarHBondContact O-ND2 3.5Å; E564-N567 PolarHBondContact O-N 3.03Å; E564-N567 VanDerWaalsContact O-N 3.09Å; L565-N567 PolarHBondContact O-N 3.14Å; L565-N567 VanDerWaalsContact O-N 3.15Å
568	T	90.1	Very high	92.4	Very high	56 Å²	56	33.5 Å²	33.5	34%	0.344	18%	0.176	S	C	.	.	S	Bend	trans	-84.1	167.3	177	75	0	0	0	0	112.5	L565 T566 L570 G571 K572	L565-T568 HydrophobicContact CD1-CG2 4.3Å; L565-T568 WeakPolarHBondContact O-CB 3.41Å; L565-T568 PolarHBondContact O-N 3.05Å; L565-T568 PolarHBondContact O-OG1 3.43Å; T566-T568 VanDerWaalsContact C-N 3.31Å; T568-L570 VanDerWaalsContact C-N 3.26Å; T568-L570 PolarHBondContact O-N 3.29Å; T568-L570 PolarHBondContact OG1-N 3.02Å; T568-G571 PolarHBondContact OG1-N 3.23Å; T568-G571 VanDerWaalsContact OG1-N 3.09Å; T568-K572 VanDerWaalsContact O-CG 3.24Å; T568-K572 WeakPolarHBondContact O-CG 3.46Å; T568-K572 PolarHBondContact O-N 2.88Å
569	A	86.1	Confident	92.4	Very high	79 Å²	79	33.5 Å²	33.5	65%	0.653	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.1	173.1	0	0	0	0	0	112.6
570	L	85.5	Confident	92.4	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.188	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-51.4	179.1	-177.9	60.6	0	0	0	111.2	E493 A496 E497 L565 T568 K572 Q573	E493-L570 HydrophobicContact CB-CD2 4.41Å; A496-L570 HydrophobicContact CB-CD1 3.76Å; A496-L570 HydrophobicContact CB-CD2 3.84Å; A496-L570 HydrophobicContact CB-CG 3.66Å; E497-L570 HydrophobicContact CG-CD1 4Å; E497-L570 HydrophobicContact CG-CD2 3.79Å; L565-L570 HydrophobicContact CD1-CD2 4.29Å; T568-L570 VanDerWaalsContact C-N 3.26Å; T568-L570 PolarHBondContact O-N 3.29Å; T568-L570 PolarHBondContact OG1-N 3.02Å; L570-K572 PolarHBondContact O-N 3.31Å; L570-Q573 WeakPolarHBondContact O-CB 3.28Å; L570-Q573 PolarHBondContact O-N 3.04Å
571	G	80.3	Confident	92.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7	178.7	0	0	0	0	0	114.6	L565 T568	L565-G571 WeakPolarHBondContact O-CA 3.11Å; L565-G571 PolarHBondContact O-N 3.42Å; T568-G571 PolarHBondContact OG1-N 3.23Å; T568-G571 VanDerWaalsContact OG1-N 3.09Å
572	K	84.9	Confident	92.4	Very high	134 Å²	134	33.1 Å²	33.1	58%	0.583	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.2	165.1	-78.7	171.5	-172.5	177.9	0	112.6	T568 L570	T568-K572 VanDerWaalsContact O-CG 3.24Å; T568-K572 WeakPolarHBondContact O-CG 3.46Å; T568-K572 PolarHBondContact O-N 2.88Å; L570-K572 PolarHBondContact O-N 3.31Å
573	Q	89.3	Confident	92.5	Very high	119 Å²	119	34.9 Å²	34.9	56%	0.556	19%	0.185	S	C	*	.	S	Bend	trans	-92	-16	177.6	-57.6	-177.2	15.8	0	0	113.3	G543 P544 L570	G543-Q573 VanDerWaalsContact CA-O 3.29Å; G543-Q573 WeakPolarHBondContact CA-O 3.46Å; P544-Q573 WeakPolarHBondContact CD-O 3.47Å; L570-Q573 WeakPolarHBondContact O-CB 3.28Å; L570-Q573 PolarHBondContact O-N 3.04Å
574	W	92.4	Very high	92.6	Very high	15 Å²	15	34.2 Å²	34.2	6%	0.057	18%	0.182	C	C	.	.	S	Bend	trans	-125.7	141.9	-175.1	-68.5	93.6	0	0	0	110.7	R223 A496 P544 L546 I576	R223-W574 VanDerWaalsContact NH2-CZ2 3.31Å; A496-W574 HydrophobicContact CB-CG 4.19Å; A496-W574 PolarHBondContact O-NE1 3.39Å; P544-W574 HydrophobicContact CB-CE3 3.81Å; P544-W574 HydrophobicContact CB-CH2 4.33Å; P544-W574 HydrophobicContact CB-CZ3 3.58Å; P544-W574 HydrophobicContact CG-CD2 3.88Å; P544-W574 HydrophobicContact CG-CE3 3.41Å; P544-W574 VanDerWaalsContact CG-CE3 3.41Å; P544-W574 HydrophobicContact CG-CH2 3.92Å; P544-W574 HydrophobicContact CG-CZ2 4.34Å; P544-W574 HydrophobicContact CG-CZ3 3.44Å; P544-W574 VanDerWaalsContact CG-CZ3 3.44Å; P544-W574 WeakPolarHBondContact O-CA 3.33Å; L546-W574 HydrophobicContact CD1-CD2 4.06Å; L546-W574 HydrophobicContact CD1-CE3 4.05Å; L546-W574 HydrophobicContact CD1-CG 4.29Å; L546-W574 HydrophobicContact CD2-CE3 3.78Å; L546-W574 HydrophobicContact CD2-CH2 4.14Å; L546-W574 HydrophobicContact CD2-CZ3 3.58Å; L546-W574 HydrophobicContact CG-CD2 3.98Å; L546-W574 HydrophobicContact CG-CE3 3.46Å; L546-W574 VanDerWaalsContact CG-CE3 3.46Å; L546-W574 HydrophobicContact CG-CZ3 3.84Å; W574-I576 HydrophobicContact CB-CG1 4.11Å
575	D	92.7	Very high	92.7	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.8	166.9	-178.9	30.4	0	0	0	108.5	P544 R545 L546	P544-D575 PolarHBondContact O-N 3.13Å; R545-D575 VanDerWaalsContact CA-O 3.25Å; R545-D575 WeakPolarHBondContact CA-O 3.46Å; R545-D575 HydrophobicContact CG-CB 3.95Å; R545-D575 IonicContact NE-OD2 2.67Å; R545-D575 PolarHBondContact NE-OD2 2.92Å; R545-D575 VanDerWaalsContact NE-OD2 3.11Å; L546-D575 PolarHBondContact N-O 2.96Å
576	I	95.4	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.9	-171.8	-55.6	-177.8	0	0	0	109	R138 M492 L546 F548 A562 L565 W574	R138-I576 WeakPolarHBondContact CB-O 3.34Å; R138-I576 WeakPolarHBondContact CD-O 3.48Å; M492-I576 HydrophobicContact CE-CG2 4.28Å; M492-I576 HydrophobicContact CG-CG2 4.5Å; M492-I576 HydrophobicContact SD-CG2 4.3Å; L546-I576 HydrophobicContact CB-CG1 4.46Å; L546-I576 WeakPolarHBondContact O-CA 3.46Å; F548-I576 HydrophobicContact CD2-CG2 4.48Å; A562-I576 HydrophobicContact CB-CG2 4.1Å; L565-I576 HydrophobicContact CB-CD1 4.11Å; L565-I576 HydrophobicContact CD2-CD1 3.28Å; L565-I576 HydrophobicContact CG-CD1 3.72Å; W574-I576 HydrophobicContact CB-CG1 4.11Å
577	I	97.1	Very high	93.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	178.4	-63.3	174.6	0	0	0	107.8	L3 R138 F140 L179 L546 I547 F548	L3-I577 HydrophobicContact CD1-CG2 3.98Å; L3-I577 HydrophobicContact CD2-CD1 4.31Å; R138-I577 HydrophobicContact CB-CG1 4.5Å; R138-I577 WeakPolarHBondContact O-CA 3.29Å; F140-I577 HydrophobicContact CD1-CG2 3.66Å; F140-I577 HydrophobicContact CE1-CG2 3.8Å; L179-I577 HydrophobicContact CD1-CD1 3.54Å; L179-I577 HydrophobicContact CD2-CD1 4.05Å; L179-I577 HydrophobicContact CG-CD1 4.47Å; L546-I577 PolarHBondContact O-N 3.01Å; I547-I577 CarbonylContact C-O 3.53Å; I547-I577 WeakPolarHBondContact CA-O 3.45Å; I547-I577 HydrophobicContact CG1-CB 4.36Å; I547-I577 HydrophobicContact CG2-CG2 4.48Å; F548-I577 PolarHBondContact N-O 2.94Å
578	V	98.5	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.4	-176.7	72.6	0	0	0	0	110.3	R138 V139 F140 I488 M492 F548 I554 I559 A562	R138-V578 PolarHBondContact O-N 3.39Å; V139-V578 VanDerWaalsContact CA-O 3.24Å; V139-V578 WeakPolarHBondContact CA-O 3.42Å; V139-V578 HydrophobicContact CG2-CG1 4.16Å; F140-V578 WeakPolarHBondContact CD1-O 3.22Å; F140-V578 PolarHBondContact N-O 3.04Å; F140-V578 VanDerWaalsContact N-O 3.09Å; I488-V578 HydrophobicContact CD1-CG2 3.99Å; M492-V578 HydrophobicContact CE-CB 4.06Å; M492-V578 HydrophobicContact CE-CG2 3.77Å; F548-V578 HydrophobicContact CB-CB 4.49Å; F548-V578 HydrophobicContact CB-CG2 3.92Å; F548-V578 CarbonylContact O-C 3.53Å; F548-V578 WeakPolarHBondContact O-CA 3.21Å; I554-V578 HydrophobicContact CD1-CB 4.27Å; I554-V578 HydrophobicContact CD1-CG1 4.2Å; I554-V578 HydrophobicContact CD1-CG2 3.19Å; I559-V578 HydrophobicContact CG1-CG1 4.5Å; A562-V578 HydrophobicContact CB-CB 4.26Å; A562-V578 HydrophobicContact CB-CG1 3.79Å
579	G	98.6	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	179.1	176.2	0	0	0	0	0	112.9	F140 F548 F549 V550	F140-G579 VanDerWaalsContact CE1-N 3.35Å; F140-G579 WeakPolarHBondContact O-CA 3.23Å; F548-G579 PolarHBondContact O-N 3.41Å; F549-G579 CarbonylContact C-O 3.58Å; F549-G579 WeakPolarHBondContact CA-O 3.48Å; V550-G579 PolarHBondContact N-O 2.94Å
580	G	98.6	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-177.4	177.2	0	0	0	0	0	111.2	F140 S141 L142 F549 V550 H582	F140-G580 PolarHBondContact O-N 3.04Å; S141-G580 WeakPolarHBondContact CA-O 3.33Å; L142-G580 PolarHBondContact N-O 3.35Å; L142-G580 VanDerWaalsContact N-O 3.09Å; F549-G580 VanDerWaalsContact CE2-C 3.43Å; V550-G580 WeakPolarHBondContact O-CA 3.47Å; G580-H582 PolarHBondContact O-N 3.05Å
581	T	98.2	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-62.1	-31.3	176.2	53.7	0	0	0	0	112.2	D143 S144 I168 F549 V550 I551 G552 G553	D143-T581 PolarHBondContact N-O 2.96Å; D143-T581 VanDerWaalsContact N-O 3.1Å; S144-T581 PolarHBondContact N-O 2.75Å; S144-T581 WeakPolarHBondContact O-CB 3.47Å; I168-T581 HydrophobicContact CD1-CG2 4.34Å; F549-T581 HydrophobicContact CZ-CG2 3.84Å; V550-T581 PolarHBondContact O-N 3.12Å; I551-T581 HydrophobicContact CG1-CG2 4.02Å; G552-T581 PolarHBondContact N-OG1 3.34Å; G553-T581 PolarHBondContact N-OG1 2.81Å
582	H	97.7	Very high	96	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.065	15%	0.147	C	C	.	.	S	Bend	trans	-162.3	171.2	174.1	61	-64.7	0	0	0	109.9	P145 G553 I554 G580 L584 D592	P145-H582 HydrophobicContact CG-CB 4.01Å; G553-H582 CarbonylContact C-O 3.6Å; G553-H582 WeakPolarHBondContact CA-O 3.3Å; I554-H582 PolarHBondContact N-O 2.95Å; G580-H582 PolarHBondContact O-N 3.05Å; H582-L584 WeakPolarHBondContact NE2-CD2 3.43Å; H582-D592 IonicContact CE1-OD2 3.59Å; H582-D592 IonicContact NE2-OD2 3.9Å; H582-D592 PolarHBondContact NE2-OD2 2.99Å
583	I	97.9	Very high	96.6	Very high	37 Å²	37	23.5 Å²	23.5	19%	0.19	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	175.9	-61.8	177.7	0	0	0	109.4	V135 I554 Y556 I559	V135-I583 HydrophobicContact CB-CD1 4.16Å; V135-I583 HydrophobicContact CG1-CD1 3.66Å; V135-I583 HydrophobicContact CG2-CD1 3.93Å; I554-I583 HydrophobicContact CG2-CG1 4.31Å; I554-I583 CarbonylContact O-C 3.54Å; I554-I583 WeakPolarHBondContact O-CA 3.15Å; Y556-I583 HydrophobicContact CD1-CG2 4.37Å; Y556-I583 HydrophobicContact CD2-CG2 4.1Å; Y556-I583 HydrophobicContact CE1-CG2 3.96Å; Y556-I583 HydrophobicContact CE2-CG2 3.66Å; Y556-I583 HydrophobicContact CG-CG2 4.44Å; I559-I583 HydrophobicContact CD1-CD1 3.95Å; I559-I583 HydrophobicContact CD1-CG1 4.18Å; I559-I583 HydrophobicContact CD1-CG2 4.18Å
584	L	97.9	Very high	96.9	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.016	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132	-177.2	-66.5	173	0	0	0	111	P238 I554 H582 F589	P238-L584 HydrophobicContact CB-CD1 4.29Å; P238-L584 HydrophobicContact CG-CD1 4.44Å; I554-L584 PolarHBondContact O-N 3.26Å; H582-L584 WeakPolarHBondContact NE2-CD2 3.43Å; L584-F589 HydrophobicContact CD1-CB 4.39Å; L584-F589 HydrophobicContact CD1-CD2 4.04Å; L584-F589 HydrophobicContact CD1-CG 4.44Å; L584-F589 HydrophobicContact CD2-CB 4.06Å; L584-F589 HydrophobicContact CD2-CD2 4.45Å
585	V	97.2	Very high	97	Very high	41 Å²	41	21.2 Å²	21.2	25%	0.248	11%	0.109	C	C	.	.			trans	-104	157.3	150.9	-62.2	0	0	0	0	108.5	Y250 Y556 E587 A588 F589	Y250-V585 WeakPolarHBondContact O-CG1 3.4Å; Y556-V585 HydrophobicContact CD2-CG1 4.35Å; Y556-V585 HydrophobicContact CE2-CG1 4Å; V585-E587 PolarHBondContact O-N 2.84Å; V585-A588 HydrophobicContact CG2-CB 3.72Å; V585-A588 WeakPolarHBondContact O-CB 3.43Å; V585-A588 PolarHBondContact O-N 2.62Å; V585-F589 PolarHBondContact O-N 2.89Å; V585-F589 VanDerWaalsContact O-N 3.09Å
586	P	97.8	Very high	97.1	Very high	13 Å²	13	19.4 Å²	19.4	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-52.1	-48	-174.1	-30.7	37.9	0	0	0	114.4	P238 D251 A588 F589 L590	P238-P586 WeakPolarHBondContact O-CA 3.25Å; P238-P586 WeakPolarHBondContact O-CB 3.47Å; P238-P586 WeakPolarHBondContact O-CG 3.34Å; D251-P586 WeakPolarHBondContact OD1-CD 3.29Å; D251-P586 WeakPolarHBondContact OD1-CG 3.37Å; P586-A588 VanDerWaalsContact C-N 3.32Å; P586-A588 PolarHBondContact O-N 2.89Å; P586-F589 PolarHBondContact O-N 3.14Å; P586-L590 WeakPolarHBondContact O-CG 3.41Å; P586-L590 PolarHBondContact O-N 3.39Å
587	E	96.7	Very high	97	Very high	85 Å²	85	22.1 Å²	22.1	40%	0.397	12%	0.118	S	C	.	.	H	α-helix	trans	-63.5	-36.9	179.4	-170	177.4	151.6	0	0	112.8	Y399 V585 L590 K591	Y399-E587 HydrophobicContact CD2-CG 3.67Å; Y399-E587 HydrophobicContact CE2-CG 3.69Å; Y399-E587 WeakPolarHBondContact CE2-OE1 2.96Å; Y399-E587 HydrophobicContact CG-CG 4.15Å; V585-E587 PolarHBondContact O-N 2.84Å; E587-L590 PolarHBondContact O-N 2.76Å; E587-K591 HydrophobicContact CG-CD 4.38Å; E587-K591 WeakPolarHBondContact O-CG 3.36Å; E587-K591 PolarHBondContact O-N 2.98Å; E587-K591 WeakPolarHBondContact OE1-CE 3.25Å; E587-K591 IonicContact OE1-NZ 3.88Å; E587-K591 PolarHBondContact OE1-NZ 3.45Å
588	A	96.1	Very high	96.6	Very high	32 Å²	32	24.2 Å²	24.2	26%	0.264	13%	0.126	S	C	.	.	H	α-helix	trans	-63.9	-41.8	176.8	0	0	0	0	0	111.4	V585 P586 K591 D592	V585-A588 HydrophobicContact CG2-CB 3.72Å; V585-A588 WeakPolarHBondContact O-CB 3.43Å; V585-A588 PolarHBondContact O-N 2.62Å; P586-A588 VanDerWaalsContact C-N 3.32Å; P586-A588 PolarHBondContact O-N 2.89Å; A588-K591 PolarHBondContact O-N 3.45Å; A588-D592 PolarHBondContact O-N 3.1Å
589	F	98.3	Very high	96	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-41.3	175.3	179.3	-119.8	0	0	0	112.3	F148 R231 P238 I239 L443 L584 V585 P586 D592 L593	F148-F589 HydrophobicContact CE2-CD2 4.09Å; F148-F589 AromaticContact CE2-CE2 3.87Å; F148-F589 HydrophobicContact CE2-CE2 3.87Å; F148-F589 HydrophobicContact CZ-CD2 4.46Å; F148-F589 HydrophobicContact CZ-CE2 4.06Å; R231-F589 HydrophobicContact CG-CD2 4.29Å; R231-F589 HydrophobicContact CG-CE2 3.55Å; R231-F589 HydrophobicContact CG-CZ 4.23Å; P238-F589 HydrophobicContact CB-CB 4.26Å; P238-F589 HydrophobicContact CB-CD1 3.72Å; P238-F589 HydrophobicContact CB-CD2 4.5Å; P238-F589 HydrophobicContact CB-CE1 4.15Å; P238-F589 HydrophobicContact CB-CG 3.9Å; I239-F589 HydrophobicContact CG2-CD1 3.52Å; I239-F589 HydrophobicContact CG2-CE1 3.74Å; L443-F589 HydrophobicContact CD2-CE2 4Å; L443-F589 HydrophobicContact CD2-CZ 3.96Å; L584-F589 HydrophobicContact CD1-CB 4.39Å; L584-F589 HydrophobicContact CD1-CD2 4.04Å; L584-F589 HydrophobicContact CD1-CG 4.44Å; L584-F589 HydrophobicContact CD2-CB 4.06Å; L584-F589 HydrophobicContact CD2-CD2 4.45Å; V585-F589 PolarHBondContact O-N 2.89Å; V585-F589 VanDerWaalsContact O-N 3.09Å; P586-F589 PolarHBondContact O-N 3.14Å; F589-D592 PolarHBondContact O-N 3.36Å; F589-L593 HydrophobicContact CD1-CD1 4.29Å; F589-L593 HydrophobicContact CE1-CD1 3.8Å; F589-L593 HydrophobicContact CE1-CG 4.46Å; F589-L593 HydrophobicContact CE2-CD1 4.48Å; F589-L593 HydrophobicContact CE2-CD2 4.49Å; F589-L593 HydrophobicContact CE2-CG 4.3Å; F589-L593 HydrophobicContact CZ-CD1 3.9Å; F589-L593 HydrophobicContact CZ-CD2 4.35Å; F589-L593 HydrophobicContact CZ-CG 4.18Å; F589-L593 PolarHBondContact O-N 3.46Å
590	L	98.4	Very high	95.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-40	176.3	-63	175.8	0	0	0	112.1	I239 Y399 R403 L406 I436 P586 E587 D592 L593 E594	I239-L590 HydrophobicContact CG2-CD2 4.14Å; Y399-L590 HydrophobicContact CD1-CB 3.76Å; Y399-L590 HydrophobicContact CD1-CD1 3.58Å; Y399-L590 HydrophobicContact CD1-CG 4.32Å; Y399-L590 HydrophobicContact CE1-CB 3.89Å; Y399-L590 HydrophobicContact CG-CD1 4.1Å; R403-L590 HydrophobicContact CG-CD1 3.95Å; L406-L590 HydrophobicContact CD1-CD2 3.25Å; I436-L590 HydrophobicContact CG2-CD2 4.03Å; P586-L590 WeakPolarHBondContact O-CG 3.41Å; P586-L590 PolarHBondContact O-N 3.39Å; E587-L590 PolarHBondContact O-N 2.76Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.49Å; L590-L593 PolarHBondContact O-N 2.91Å; L590-E594 PolarHBondContact O-N 2.93Å
591	K	96.3	Very high	94.2	Very high	79 Å²	79	31.4 Å²	31.4	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-37.9	173.5	-75.5	172.3	-179	164.8	0	112.1	Y399 E587 A588 E594 K595	Y399-K591 WeakPolarHBondContact OH-CG 3.42Å; E587-K591 HydrophobicContact CG-CD 4.38Å; E587-K591 WeakPolarHBondContact O-CG 3.36Å; E587-K591 PolarHBondContact O-N 2.98Å; E587-K591 WeakPolarHBondContact OE1-CE 3.25Å; E587-K591 IonicContact OE1-NZ 3.88Å; E587-K591 PolarHBondContact OE1-NZ 3.45Å; A588-K591 PolarHBondContact O-N 3.45Å; K591-E594 PolarHBondContact O-N 3.05Å; K591-K595 VanDerWaalsContact O-CG 3.26Å; K591-K595 WeakPolarHBondContact O-CG 3.44Å; K591-K595 PolarHBondContact O-N 3.37Å
592	D	96.6	Very high	93.2	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.043	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-38.6	176	-81.8	-5.5	0	0	0	112.2	F148 Q149 H582 A588 F589 L590 K595	F148-D592 HydrophobicContact CD1-CB 3.79Å; F148-D592 HydrophobicContact CD2-CB 4.05Å; F148-D592 HydrophobicContact CE1-CB 3.84Å; F148-D592 WeakPolarHBondContact CE1-O 3.36Å; F148-D592 HydrophobicContact CE2-CB 4.13Å; F148-D592 HydrophobicContact CG-CB 3.89Å; F148-D592 HydrophobicContact CZ-CB 4.02Å; Q149-D592 PolarHBondContact NE2-O 2.88Å; H582-D592 IonicContact CE1-OD2 3.59Å; H582-D592 IonicContact NE2-OD2 3.9Å; H582-D592 PolarHBondContact NE2-OD2 2.99Å; A588-D592 PolarHBondContact O-N 3.1Å; F589-D592 PolarHBondContact O-N 3.36Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.49Å; D592-K595 PolarHBondContact O-N 3.31Å; D592-K595 IonicContact OD1-NZ 3.56Å
593	L	97.5	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-43.3	170.1	-71	174.5	0	0	0	111.9	F148 I436 N439 L440 L443 F589 L590 K595 L596	F148-L593 HydrophobicContact CZ-CD2 4.08Å; I436-L593 HydrophobicContact CG2-CB 4Å; I436-L593 HydrophobicContact CG2-CD1 4.03Å; N439-L593 WeakPolarHBondContact CB-O 3.49Å; N439-L593 PolarHBondContact ND2-O 3.35Å; L440-L593 HydrophobicContact CD2-CD1 4.21Å; L443-L593 HydrophobicContact CD1-CD2 3.8Å; L443-L593 HydrophobicContact CD2-CD2 4.11Å; F589-L593 HydrophobicContact CD1-CD1 4.29Å; F589-L593 HydrophobicContact CE1-CD1 3.8Å; F589-L593 HydrophobicContact CE1-CG 4.46Å; F589-L593 HydrophobicContact CE2-CD1 4.48Å; F589-L593 HydrophobicContact CE2-CD2 4.49Å; F589-L593 HydrophobicContact CE2-CG 4.3Å; F589-L593 HydrophobicContact CZ-CD1 3.9Å; F589-L593 HydrophobicContact CZ-CD2 4.35Å; F589-L593 HydrophobicContact CZ-CG 4.18Å; F589-L593 PolarHBondContact O-N 3.46Å; L590-L593 PolarHBondContact O-N 2.91Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.16Å; L593-L596 HydrophobicContact CD2-CD1 4.19Å; L593-L596 WeakPolarHBondContact O-CB 3.39Å; L593-L596 PolarHBondContact O-N 3.45Å
594	E	95.9	Very high	90.5	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-44.5	178.5	-169.8	176.5	-173.9	0	0	111.5	S432 Q433 I436 L590 K591 L596 S597 Y598	S432-E594 WeakPolarHBondContact CB-OE1 3.1Å; S432-E594 PolarHBondContact OG-OE1 2.85Å; Q433-E594 WeakPolarHBondContact CG-OE1 3.37Å; I436-E594 HydrophobicContact CD1-CB 3.95Å; I436-E594 HydrophobicContact CD1-CG 4.39Å; I436-E594 HydrophobicContact CG1-CB 3.69Å; I436-E594 HydrophobicContact CG1-CG 4.25Å; L590-E594 PolarHBondContact O-N 2.93Å; K591-E594 PolarHBondContact O-N 3.05Å; E594-L596 PolarHBondContact O-N 3.16Å; E594-S597 PolarHBondContact O-N 2.69Å; E594-Y598 WeakPolarHBondContact O-CE2 3.39Å
595	K	94.2	Very high	89	Confident	73 Å²	73	43.6 Å²	43.6	32%	0.317	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-21.2	-178.2	-73.1	168.2	-167.4	166.1	0	114.1	Q149 K591 D592 L593 S597 Y598	Q149-K595 HydrophobicContact CG-CB 4.43Å; Q149-K595 PolarHBondContact OE1-O 3.37Å; K591-K595 VanDerWaalsContact O-CG 3.26Å; K591-K595 WeakPolarHBondContact O-CG 3.44Å; K591-K595 PolarHBondContact O-N 3.37Å; D592-K595 PolarHBondContact O-N 3.31Å; D592-K595 IonicContact OD1-NZ 3.56Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.16Å; K595-S597 PolarHBondContact O-N 3.41Å; K595-S597 VanDerWaalsContact O-N 3.11Å; K595-Y598 PolarHBondContact O-N 2.9Å
596	L	94.9	Very high	86.9	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.9	178.5	-66.9	177.3	0	0	0	113.6	F148 F152 N153 N439 H442 L443 L593 E594 Y598	F148-L596 HydrophobicContact CD1-CD2 4.03Å; F148-L596 HydrophobicContact CD1-CG 4.41Å; F148-L596 HydrophobicContact CE1-CD1 3.74Å; F148-L596 HydrophobicContact CE1-CD2 3.91Å; F148-L596 HydrophobicContact CE1-CG 3.87Å; F152-L596 HydrophobicContact CB-CD1 4.2Å; F152-L596 HydrophobicContact CB-CD2 3.75Å; N153-L596 HydrophobicContact CB-CD2 3.89Å; N153-L596 PolarHBondContact ND2-O 3.05Å; N439-L596 HydrophobicContact CB-CB 4.25Å; N439-L596 HydrophobicContact CB-CD1 4.12Å; H442-L596 HydrophobicContact CB-CD1 3.92Å; L443-L596 HydrophobicContact CD1-CD1 3.85Å; L593-L596 HydrophobicContact CD2-CD1 4.19Å; L593-L596 WeakPolarHBondContact O-CB 3.39Å; L593-L596 PolarHBondContact O-N 3.45Å; E594-L596 PolarHBondContact O-N 3.16Å; L596-Y598 PolarHBondContact O-N 3.03Å
597	S	92.6	Very high	84.3	Confident	57 Å²	57	49.9 Å²	49.9	40%	0.399	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.4	175.2	-58.5	0	0	0	0	113.9	C435 N439 E594 K595	C435-S597 WeakPolarHBondContact CB-OG 3.15Å; C435-S597 PolarHBondContact SG-OG 3.48Å; N439-S597 PolarHBondContact ND2-OG 2.91Å; E594-S597 PolarHBondContact O-N 2.69Å; K595-S597 PolarHBondContact O-N 3.41Å; K595-S597 VanDerWaalsContact O-N 3.11Å
598	Y	89.2	Confident	81.2	Confident	47 Å²	47	51 Å²	51	18%	0.184	33%	0.331	C	S	.	.	S	Bend	trans	-125.6	154	-174.4	-48.5	-87.3	0	0	0	110.5	N153 E594 K595 L596 T602 P604 P605	N153-Y598 PolarHBondContact ND2-O 3.48Å; E594-Y598 WeakPolarHBondContact O-CE2 3.39Å; K595-Y598 PolarHBondContact O-N 2.9Å; L596-Y598 PolarHBondContact O-N 3.03Å; Y598-T602 VanDerWaalsContact CB-OG1 3.22Å; Y598-T602 WeakPolarHBondContact CB-OG1 3.1Å; Y598-P604 HydrophobicContact CD2-CB 4.45Å; Y598-P604 HydrophobicContact CD2-CG 4.08Å; Y598-P604 HydrophobicContact CE1-CB 4.47Å; Y598-P604 HydrophobicContact CE2-CB 3.75Å; Y598-P604 HydrophobicContact CE2-CG 3.71Å; Y598-P605 HydrophobicContact CE1-CG 4.49Å
599	P	84.7	Confident	78.3	Confident	63 Å²	63	54.7 Å²	54.7	41%	0.409	36%	0.355	S	S	.	.			trans	-56.4	144.3	172.8	-23.6	33.8	0	0	0	111.5	G601 T602	P599-G601 PolarHBondContact O-N 3.36Å; P599-T602 HydrophobicContact CB-CG2 4.1Å; P599-T602 HydrophobicContact CG-CG2 4.44Å; P599-T602 WeakPolarHBondContact O-CB 3.37Å; P599-T602 PolarHBondContact O-N 3.44Å; P599-T602 VanDerWaalsContact O-N 3.12Å; P599-T602 PolarHBondContact O-OG1 3.06Å
600	P	82.1	Confident	75.1	Confident	25 Å²	25	57.7 Å²	57.7	16%	0.162	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	136.6	177.4	-25.7	32.5	0	0	0	112.5	Q149 Y150 A156 T602	Q149-P600 HydrophobicContact CB-CB 4.22Å; Q149-P600 HydrophobicContact CB-CG 4.33Å; Y150-P600 HydrophobicContact CD1-CB 4.42Å; Y150-P600 HydrophobicContact CD1-CG 4.4Å; Y150-P600 HydrophobicContact CE1-CB 3.97Å; Y150-P600 HydrophobicContact CE1-CG 4.33Å; A156-P600 HydrophobicContact CB-CG 3.47Å; A156-P600 VanDerWaalsContact CB-CG 3.47Å; P600-T602 VanDerWaalsContact C-N 3.29Å; P600-T602 PolarHBondContact O-N 3.45Å
601	G	77.3	Confident	71.7	Confident	63 Å²	63	63.7 Å²	63.7	65%	0.649	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-6.2	179.5	0	0	0	0	0	114.8	P599	P599-G601 PolarHBondContact O-N 3.36Å
602	T	78.8	Confident	68.5	Low	68 Å²	68	64.9 Å²	64.9	42%	0.417	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-87.9	147	172.5	65	0	0	0	0	111.3	Y598 P599 P600	Y598-T602 VanDerWaalsContact CB-OG1 3.22Å; Y598-T602 WeakPolarHBondContact CB-OG1 3.1Å; P599-T602 HydrophobicContact CB-CG2 4.1Å; P599-T602 HydrophobicContact CG-CG2 4.44Å; P599-T602 WeakPolarHBondContact O-CB 3.37Å; P599-T602 PolarHBondContact O-N 3.44Å; P599-T602 VanDerWaalsContact O-N 3.12Å; P599-T602 PolarHBondContact O-OG1 3.06Å; P600-T602 VanDerWaalsContact C-N 3.29Å; P600-T602 PolarHBondContact O-N 3.45Å
603	V	70.9	Confident	65.2	Low	127 Å²	127	69.9 Å²	69.9	77%	0.77	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-94.8	136.3	176.9	-173.8	0	0	0	0	108.3
604	P	67.9	Low	62	Low	25 Å²	25	77.3 Å²	77.3	16%	0.162	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-52.2	147.9	170.2	-24.2	32.8	0	0	0	110.8	Y598 S606	Y598-P604 HydrophobicContact CD2-CB 4.45Å; Y598-P604 HydrophobicContact CD2-CG 4.08Å; Y598-P604 HydrophobicContact CE1-CB 4.47Å; Y598-P604 HydrophobicContact CE2-CB 3.75Å; Y598-P604 HydrophobicContact CE2-CG 3.71Å; P604-S606 PolarHBondContact O-N 2.75Å
605	P	65.2	Low	58.7	Low	91 Å²	91	82.8 Å²	82.8	59%	0.591	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-51.8	121.7	172.9	-19	28.2	0	0	0	108.5	Y598 A607	Y598-P605 HydrophobicContact CE1-CG 4.49Å; P605-A607 PolarHBondContact O-N 3.05Å
606	S	53.2	Low	55.7	Low	106 Å²	106	82 Å²	82	74%	0.741	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-51.9	119.4	-178.7	54.7	0	0	0	0	108.8	P604 S608	P604-S606 PolarHBondContact O-N 2.75Å; S606-S608 PolarHBondContact O-N 3.24Å
607	A	43.2	Very low	52.8	Low	79 Å²	79	87 Å²	87	65%	0.653	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-51.6	116.6	156.9	0	0	0	0	0	104.9	P605 S609	P605-A607 PolarHBondContact O-N 3.05Å; A607-S609 PolarHBondContact O-N 3.09Å
608	S	32.8	Very low	49.7	Very low	108 Å²	108	88.2 Å²	88.2	76%	0.755	62%	0.62	S	S	*	*			trans	-35	118.3	-177.5	50.5	0	0	0	0	109.2	S606 G610	S606-S608 PolarHBondContact O-N 3.24Å; S608-G610 PolarHBondContact O-N 3.23Å
609	S	34.5	Very low	47	Very low	110 Å²	110	89.5 Å²	89.5	77%	0.769	65%	0.648	S	S	*	*			trans	-55.8	90.6	173.4	53	0	0	0	0	107.8	A607 T611	A607-S609 PolarHBondContact O-N 3.09Å; S609-T611 PolarHBondContact O-N 2.92Å
610	G	31.4	Very low	44.4	Very low	65 Å²	65	95.5 Å²	95.5	67%	0.67	67%	0.671	S	S	*	*			trans	-60.8	110.2	158.7	0	0	0	0	0	103.8	S608 S612	S608-G610 PolarHBondContact O-N 3.23Å; G610-S612 VanDerWaalsContact C-N 3.29Å; G610-S612 PolarHBondContact O-N 3.3Å
611	T	27.6	Very low	42	Very low	126 Å²	126	100.3 Å²	100.3	77%	0.773	70%	0.702	S	S	*	*			trans	-48.6	99	175	-39.9	0	0	0	0	107.3	S609 V613	S609-T611 PolarHBondContact O-N 2.92Å; T611-V613 HydrophobicContact CG2-CG2 4.45Å; T611-V613 PolarHBondContact O-N 2.9Å
612	S	28.4	Very low	40.3	Very low	105 Å²	105	107.7 Å²	107.7	73%	0.734	73%	0.734	S	S	*	*			trans	-71	86.7	168.4	49	0	0	0	0	105	G610 I614	G610-S612 VanDerWaalsContact C-N 3.29Å; G610-S612 PolarHBondContact O-N 3.3Å; S612-I614 VanDerWaalsContact C-N 3.33Å; S612-I614 PolarHBondContact O-N 3.47Å
613	V	27.1	Very low	38.4	Very low	112 Å²	112	109.7 Å²	109.7	68%	0.679	75%	0.75	S	S	*	*			trans	-56.3	106.9	162.2	177.5	0	0	0	0	104.7	T611 V615	T611-V613 HydrophobicContact CG2-CG2 4.45Å; T611-V613 PolarHBondContact O-N 2.9Å; V613-V615 VanDerWaalsContact C-N 3.27Å; V613-V615 HydrophobicContact CG1-CG2 4.35Å; V613-V615 PolarHBondContact O-N 2.84Å
614	I	31.2	Very low	36.7	Very low	156 Å²	156	108.7 Å²	108.7	80%	0.8	75%	0.749	S	S	*	*			trans	-63.6	99.3	168.8	-61.7	175.3	0	0	0	104.6	S612 G616	S612-I614 VanDerWaalsContact C-N 3.33Å; S612-I614 PolarHBondContact O-N 3.47Å; I614-G616 PolarHBondContact O-N 3.33Å
615	V	26.7	Very low	35	Very low	129 Å²	129	113.4 Å²	113.4	78%	0.782	78%	0.781	S	S	*	*			trans	-73.6	83.3	168.8	-174.3	0	0	0	0	105.7	V613 A617	V613-V615 VanDerWaalsContact C-N 3.27Å; V613-V615 HydrophobicContact CG1-CG2 4.35Å; V613-V615 PolarHBondContact O-N 2.84Å; V615-A617 PolarHBondContact O-N 3.43Å
616	G	29.9	Very low	33.2	Very low	56 Å²	56	114.7 Å²	114.7	58%	0.577	79%	0.792	S	S	*	*			trans	-62	122.6	163.6	0	0	0	0	0	107.9	I614 G618	I614-G616 PolarHBondContact O-N 3.33Å; G616-G618 PolarHBondContact O-N 2.86Å; G616-G618 VanDerWaalsContact O-N 3.14Å
617	A	34.2	Very low	31.9	Very low	108 Å²	108	115.3 Å²	115.3	89%	0.893	80%	0.796	S	S	*	*	S	Bend	trans	-60.3	115.5	173	0	0	0	0	0	109.4	V615	V615-A617 PolarHBondContact O-N 3.43Å
618	G	28	Very low	31.2	Very low	83 Å²	83	117.7 Å²	117.7	86%	0.856	81%	0.805	S	S	*	*	S	Bend	trans	82.4	84	159.8	0	0	0	0	0	116.5	G616	G616-G618 PolarHBondContact O-N 2.86Å; G616-G618 VanDerWaalsContact O-N 3.14Å
619	G	33.2	Very low	31.1	Very low	75 Å²	75	118.4 Å²	118.4	77%	0.773	81%	0.809	S	S	*	*			trans	-166.1	109.9	159.5	0	0	0	0	0	109.8
620	E	29.8	Very low	30.8	Very low	189 Å²	189	119 Å²	119	88%	0.883	81%	0.812	S	S	*	*			trans	-60.6	149	-178	-77.9	-175.2	155.4	0	0	112.9
621	P	31.8	Very low	30.7	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	82%	0.824	S	S	*	*			trans	-80.4	139.6	-171.9	33.4	-34.1	0	0	0	112.2
622	V	41.1	Very low	31	Very low	218 Å²	218	123.3 Å²	123.3	100%	1.321	83%	0.828	S	S	*	*			trans	-115.4	0	158.2	-177.8	0	0	0	0	108.5

Retrieved 622 of 622 residues in 258.9 ms (Link to these results)

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