A0A077Z4A1_TRITR Loading...

MULE and FLYWCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 469 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	48.4	Very low	73.6	Confident	170 Å²	170	84.7 Å²	84.7	84%	0.837	46%	0.461	S	S	*	.				0	126.4	0	-60.3	171.2	-176.5	0	0	108.3	E18	M1-E18 VanDerWaalsContact SD-OE1 3.32Å
2	S	62.2	Low	74.2	Confident	117 Å²	117	92.2 Å²	92.2	82%	0.818	48%	0.477	S	S	*	.			trans	-80.8	130.2	-177.8	40.9	0	0	0	0	110.2
3	G	73.1	Confident	75.1	Confident	24 Å²	24	89.7 Å²	89.7	25%	0.247	46%	0.462	C	S	.	.			trans	-108.6	173.5	158.4	0	0	0	0	0	109.3	V16	G3-V16 CarbonylContact C-O 3.47Å; G3-V16 WeakPolarHBondContact CA-O 3.41Å
4	S	83.4	Confident	76.2	Confident	64 Å²	64	84.4 Å²	84.4	45%	0.448	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.3	177.8	61.4	0	0	0	0	111.1	V16	S4-V16 PolarHBondContact N-O 3.16Å; S4-V16 PolarHBondContact O-N 3.21Å
5	T	82.5	Confident	77.2	Confident	75 Å²	75	78.9 Å²	78.9	46%	0.46	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.4	174.1	-53.2	0	0	0	0	109.5	E13 K14	T5-E13 HydrophobicContact CG2-CG 3.47Å; T5-E13 VanDerWaalsContact CG2-CG 3.47Å; T5-E13 WeakPolarHBondContact CG2-OE1 3.12Å; T5-K14 CarbonylContact C-O 3.57Å; T5-K14 WeakPolarHBondContact CA-O 3.32Å; T5-K14 WeakPolarHBondContact CG2-O 3.41Å
6	T	83.3	Confident	78.1	Confident	18 Å²	18	74.8 Å²	74.8	11%	0.11	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	174.1	177.2	-160.7	0	0	0	0	110.3	K14 V16 M21 I78 N82	T6-K14 HydrophobicContact CG2-CB 3.86Å; T6-K14 PolarHBondContact N-O 2.8Å; T6-K14 PolarHBondContact O-N 3.08Å; T6-V16 HydrophobicContact CG2-CG2 3.66Å; T6-M21 HydrophobicContact CG2-CE 4.42Å; T6-I78 HydrophobicContact CG2-CG2 4.16Å; T6-N82 PolarHBondContact OG1-ND2 2.78Å
7	L	81.8	Confident	78.8	Confident	60 Å²	60	70.6 Å²	70.6	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.8	176.8	-65	172.6	0	0	0	111.2	I78 N82	L7-I78 WeakPolarHBondContact O-CG2 3.42Å; L7-N82 PolarHBondContact N-ND2 3.41Å; L7-N82 PolarHBondContact O-ND2 3.23Å; L7-N82 PolarHBondContact O-OD1 3.07Å
8	S	81.4	Confident	79.3	Confident	14 Å²	14	72.9 Å²	72.9	10%	0.098	37%	0.373	C	S	.	.			trans	-71.9	172.2	172.7	59.8	0	0	0	0	113.1	R10 N11 R12 R81	S8-R10 PolarHBondContact O-N 2.87Å; S8-R10 VanDerWaalsContact O-N 3.1Å; S8-N11 PolarHBondContact O-N 2.72Å; S8-R12 PolarHBondContact N-O 3.21Å; S8-R12 WeakPolarHBondContact OG-CB 3.48Å; S8-R12 PolarHBondContact OG-N 3.17Å; S8-R12 PolarHBondContact OG-O 3.3Å; S8-R81 PolarHBondContact O-NH1 3.47Å
9	L	71.9	Confident	79.8	Confident	90 Å²	90	70.1 Å²	70.1	47%	0.471	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.9	170.6	-65.3	178.8	0	0	0	113.1	I78 R81 P115	L9-I78 HydrophobicContact CD2-CD1 3.98Å; L9-I78 HydrophobicContact CG-CD1 4.12Å; L9-R81 VanDerWaalsContact CD2-CD 3.46Å; L9-R81 PolarHBondContact O-NH2 2.75Å; L9-P115 HydrophobicContact CD2-CG 4.34Å
10	R	70.5	Confident	80.4	Confident	214 Å²	214	67.8 Å²	67.8	81%	0.808	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	19.3	178.3	-60	-176.3	-177.1	-179	1.2	113.6	S8 R12	S8-R10 PolarHBondContact O-N 2.87Å; S8-R10 VanDerWaalsContact O-N 3.1Å; R10-R12 PolarHBondContact O-N 3.37Å
11	N	70.8	Confident	80.9	Confident	86 Å²	86	65.2 Å²	65.2	46%	0.46	34%	0.337	S	S	.	.	S	Bend	trans	60.7	25.5	176.5	-133.7	36.8	0	0	0	115.9	S8 R127	S8-N11 PolarHBondContact O-N 2.72Å; N11-R127 PolarHBondContact OD1-NH2 3.48Å
12	R	80.9	Confident	83.1	Confident	174 Å²	174	57.1 Å²	57.1	66%	0.657	30%	0.297	S	S	*	.			trans	-95.2	143.9	172.1	-59.6	-173.4	178.7	-172.8	-2.4	111.1	S8 R10	S8-R12 PolarHBondContact N-O 3.21Å; S8-R12 WeakPolarHBondContact OG-CB 3.48Å; S8-R12 PolarHBondContact OG-N 3.17Å; S8-R12 PolarHBondContact OG-O 3.3Å; R10-R12 PolarHBondContact O-N 3.37Å
13	E	86.7	Confident	84.5	Confident	60 Å²	60	52.6 Å²	52.6	28%	0.28	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	133.5	174.7	-164.9	-178.4	-168.5	0	0	111.1	T5 K34 W36	T5-E13 HydrophobicContact CG2-CG 3.47Å; T5-E13 VanDerWaalsContact CG2-CG 3.47Å; T5-E13 WeakPolarHBondContact CG2-OE1 3.12Å; E13-K34 IonicContact OE1-NZ 3.31Å; E13-K34 PolarHBondContact OE1-NZ 3.08Å; E13-K34 IonicContact OE2-NZ 3.97Å; E13-K34 PolarHBondContact OE2-NZ 2.64Å; E13-W36 HydrophobicContact CG-CH2 3.92Å; E13-W36 HydrophobicContact CG-CZ3 4.11Å
14	K	89.8	Confident	85.4	Confident	16 Å²	16	54.6 Å²	54.6	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.6	175.1	-65.3	-73.1	-178.6	167.1	0	108.6	T5 T6 M21 Y22 T23 D39	T5-K14 CarbonylContact C-O 3.57Å; T5-K14 WeakPolarHBondContact CA-O 3.32Å; T5-K14 WeakPolarHBondContact CG2-O 3.41Å; T6-K14 HydrophobicContact CG2-CB 3.86Å; T6-K14 PolarHBondContact N-O 2.8Å; T6-K14 PolarHBondContact O-N 3.08Å; K14-M21 HydrophobicContact CB-CE 3.75Å; K14-M21 HydrophobicContact CD-CE 3.94Å; K14-M21 HydrophobicContact CG-CE 3.61Å; K14-Y22 CarbonylContact C-O 3.49Å; K14-Y22 VanDerWaalsContact CA-O 3.28Å; K14-Y22 WeakPolarHBondContact CA-O 3.33Å; K14-Y22 WeakPolarHBondContact CD-O 3.38Å; K14-T23 HydrophobicContact CD-CG2 4.4Å; K14-T23 PolarHBondContact NZ-OG1 3.27Å; K14-D39 IonicContact NZ-OD1 3.37Å; K14-D39 PolarHBondContact NZ-OD1 2.91Å; K14-D39 IonicContact NZ-OD2 3.1Å; K14-D39 PolarHBondContact NZ-OD2 3.12Å
15	F	91.2	Very high	85.8	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.9	172.3	-162.2	-91.3	0	0	0	109.5	H17 M21 Y22 W36 L50 T52 G57 V59	F15-H17 HydrophobicContact CD1-CB 4.19Å; F15-H17 HydrophobicContact CE1-CB 4.03Å; F15-M21 CarbonylContact O-C 3.58Å; F15-M21 WeakPolarHBondContact O-CA 3.36Å; F15-Y22 PolarHBondContact N-O 3.43Å; F15-Y22 PolarHBondContact O-N 3.29Å; F15-W36 HydrophobicContact CB-CD2 3.71Å; F15-W36 HydrophobicContact CB-CE3 3.59Å; F15-W36 HydrophobicContact CB-CG 4.34Å; F15-W36 HydrophobicContact CB-CH2 4.01Å; F15-W36 HydrophobicContact CB-CZ2 4.08Å; F15-W36 HydrophobicContact CB-CZ3 3.78Å; F15-W36 HydrophobicContact CD2-CH2 4.33Å; F15-W36 AromaticContact CD2-CZ2 3.95Å; F15-W36 HydrophobicContact CD2-CZ2 3.95Å; F15-W36 HydrophobicContact CG-CD2 4.42Å; F15-W36 HydrophobicContact CG-CZ2 4.33Å; F15-L50 HydrophobicContact CD1-CD2 3.15Å; F15-L50 HydrophobicContact CE1-CD2 3.38Å; F15-L50 HydrophobicContact CG-CD2 4.11Å; F15-L50 HydrophobicContact CZ-CD2 4.49Å; F15-T52 HydrophobicContact CD1-CG2 4.27Å; F15-T52 HydrophobicContact CD2-CG2 4.24Å; F15-T52 HydrophobicContact CE1-CG2 3.86Å; F15-T52 HydrophobicContact CE2-CG2 3.86Å; F15-T52 HydrophobicContact CG-CG2 4.43Å; F15-T52 HydrophobicContact CZ-CG2 3.64Å; F15-G57 WeakPolarHBondContact CE2-O 3.4Å; F15-G57 WeakPolarHBondContact CZ-O 3.25Å; F15-V59 HydrophobicContact CE1-CG2 3.95Å; F15-V59 HydrophobicContact CZ-CG2 4.24Å
16	V	91.3	Very high	86.2	Confident	14 Å²	14	57.7 Å²	57.7	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.1	178.6	178.7	0	0	0	0	108.1	G3 S4 T6 H20 M21 V75	G3-V16 CarbonylContact C-O 3.47Å; G3-V16 WeakPolarHBondContact CA-O 3.41Å; S4-V16 PolarHBondContact N-O 3.16Å; S4-V16 PolarHBondContact O-N 3.21Å; T6-V16 HydrophobicContact CG2-CG2 3.66Å; V16-H20 WeakPolarHBondContact CA-O 3.43Å; V16-M21 HydrophobicContact CG2-CG 4.09Å; V16-V75 HydrophobicContact CB-CG1 4.44Å; V16-V75 HydrophobicContact CG1-CB 4.45Å; V16-V75 HydrophobicContact CG1-CG1 3.37Å; V16-V75 HydrophobicContact CG1-CG2 4.17Å; V16-V75 HydrophobicContact CG2-CG1 4.19Å
17	H	90.7	Very high	86.4	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	129.3	175.1	-175.3	55.2	0	0	0	109.6	F15 G19 H20 Y22 L50	F15-H17 HydrophobicContact CD1-CB 4.19Å; F15-H17 HydrophobicContact CE1-CB 4.03Å; H17-G19 VanDerWaalsContact C-N 3.29Å; H17-G19 PolarHBondContact O-N 2.96Å; H17-H20 PolarHBondContact N-O 3Å; H17-H20 WeakPolarHBondContact O-CB 3.47Å; H17-H20 PolarHBondContact O-N 2.94Å; H17-Y22 HydrophobicContact CB-CE2 3.96Å; H17-L50 HydrophobicContact CB-CD2 4.13Å
18	E	88.3	Confident	86.5	Confident	113 Å²	113	59.8 Å²	59.8	53%	0.528	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	42.2	178.1	-61.5	-175.8	161.8	0	0	114.3	M1 H20	M1-E18 VanDerWaalsContact SD-OE1 3.32Å; E18-H20 PolarHBondContact O-CD2 3.43Å; E18-H20 PolarHBondContact O-N 3.48Å
19	G	87.8	Confident	86.3	Confident	18 Å²	18	67.9 Å²	67.9	19%	0.186	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	5.2	-179.2	0	0	0	0	0	114.6	H17 D71	H17-G19 VanDerWaalsContact C-N 3.29Å; H17-G19 PolarHBondContact O-N 2.96Å; G19-D71 PolarHBondContact O-N 3.2Å
20	H	91.8	Very high	86.8	Confident	24 Å²	24	70.3 Å²	70.3	11%	0.111	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.7	172.9	-60.7	-70.4	0	0	0	111.5	V16 H17 E18 Y22 H66 H68 S70	V16-H20 WeakPolarHBondContact CA-O 3.43Å; H17-H20 PolarHBondContact N-O 3Å; H17-H20 WeakPolarHBondContact O-CB 3.47Å; H17-H20 PolarHBondContact O-N 2.94Å; E18-H20 PolarHBondContact O-CD2 3.43Å; E18-H20 PolarHBondContact O-N 3.48Å; H20-Y22 HydrophobicContact CB-CE2 3.89Å; H20-H66 AromaticContact CD2-CD2 3.39Å; H20-H66 PolarHBondContact CD2-CD2 3.38Å; H20-H66 AromaticContact CD2-CG 3.89Å; H20-H66 AromaticContact CD2-NE2 3.56Å; H20-H66 AromaticContact CE1-CD2 3.95Å; H20-H66 AromaticContact CE1-CG 3.67Å; H20-H66 AromaticContact CE1-ND1 3.98Å; H20-H66 AromaticContact CG-CD2 3.74Å; H20-H66 AromaticContact CG-CE1 3.67Å; H20-H66 AromaticContact CG-ND1 3.95Å; H20-H66 AromaticContact CG-NE2 3.53Å; H20-H66 AromaticContact ND1-CE1 3.93Å; H20-H66 AromaticContact ND1-CG 3.9Å; H20-H66 AromaticContact ND1-ND1 3.78Å; H20-H66 AromaticContact NE2-CD2 3.54Å; H20-H66 AromaticContact NE2-CG 3.68Å; H20-H68 AromaticContact CE1-CE1 3.83Å; H20-H68 AromaticContact CE1-ND1 3.93Å; H20-H68 PolarHBondContact CE1-O 3.44Å; H20-H68 AromaticContact ND1-CE1 3.45Å; H20-H68 PolarHBondContact ND1-CE1 3.4Å; H20-H68 AromaticContact ND1-ND1 3.87Å; H20-S70 WeakPolarHBondContact CE1-CA 3.32Å; H20-S70 PolarHBondContact CE1-N 2.88Å; H20-S70 VanDerWaalsContact CE1-N 3.33Å
21	M	91.8	Very high	87.2	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.069	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.3	173.3	-77.4	-176.4	59.4	0	0	111.5	T6 K14 F15 V16 D39 Y74 V75 I78	T6-M21 HydrophobicContact CG2-CE 4.42Å; K14-M21 HydrophobicContact CB-CE 3.75Å; K14-M21 HydrophobicContact CD-CE 3.94Å; K14-M21 HydrophobicContact CG-CE 3.61Å; F15-M21 CarbonylContact O-C 3.58Å; F15-M21 WeakPolarHBondContact O-CA 3.36Å; V16-M21 HydrophobicContact CG2-CG 4.09Å; M21-D39 HydrophobicContact CB-CB 4.07Å; M21-D39 WeakPolarHBondContact O-CB 3.44Å; M21-D39 PolarHBondContact O-N 2.92Å; M21-Y74 HydrophobicContact SD-CD1 3.95Å; M21-Y74 HydrophobicContact SD-CE1 3.63Å; M21-V75 HydrophobicContact CG-CG2 3.99Å; M21-V75 HydrophobicContact SD-CG2 4.49Å; M21-I78 HydrophobicContact SD-CG1 4.42Å
22	Y	93.7	Very high	88	Confident	1 Å²	1	70.1 Å²	70.1	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.7	178.6	-55.9	-105.4	0	0	0	110.2	K14 F15 H17 H20 W36 R37 L50 L62 H66	K14-Y22 CarbonylContact C-O 3.49Å; K14-Y22 VanDerWaalsContact CA-O 3.28Å; K14-Y22 WeakPolarHBondContact CA-O 3.33Å; K14-Y22 WeakPolarHBondContact CD-O 3.38Å; F15-Y22 PolarHBondContact N-O 3.43Å; F15-Y22 PolarHBondContact O-N 3.29Å; H17-Y22 HydrophobicContact CB-CE2 3.96Å; H20-Y22 HydrophobicContact CB-CE2 3.89Å; Y22-W36 HydrophobicContact CD1-CB 4.4Å; Y22-W36 HydrophobicContact CG-CB 4.32Å; Y22-R37 CarbonylContact C-O 3.6Å; Y22-R37 VanDerWaalsContact CA-O 3.24Å; Y22-R37 WeakPolarHBondContact CA-O 3.39Å; Y22-L50 HydrophobicContact CD1-CB 3.76Å; Y22-L50 HydrophobicContact CD2-CD2 4.2Å; Y22-L50 HydrophobicContact CE1-CB 3.69Å; Y22-L50 HydrophobicContact CE2-CD2 4.29Å; Y22-L50 HydrophobicContact CG-CB 4.23Å; Y22-L50 HydrophobicContact CG-CD2 4.42Å; Y22-L62 WeakPolarHBondContact OH-CD2 3.46Å; Y22-H66 AromaticContact CE1-NE2 3.84Å; Y22-H66 AromaticContact CZ-CE1 3.93Å; Y22-H66 AromaticContact CZ-NE2 3.4Å; Y22-H66 PolarHBondContact OH-NE2 2.88Å
23	T	92.2	Very high	88.4	Confident	22 Å²	22	63.1 Å²	63.1	14%	0.135	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.8	173.3	-43.8	0	0	0	0	109.2	K14 D25 W36 R37 D39	K14-T23 HydrophobicContact CD-CG2 4.4Å; K14-T23 PolarHBondContact NZ-OG1 3.27Å; T23-D25 PolarHBondContact O-N 2.67Å; T23-W36 CarbonylContact O-C 3.51Å; T23-W36 VanDerWaalsContact O-CA 3.26Å; T23-W36 WeakPolarHBondContact O-CA 3.37Å; T23-R37 PolarHBondContact N-O 3.47Å; T23-R37 PolarHBondContact O-N 3.23Å; T23-D39 PolarHBondContact OG1-OD1 2.95Å
24	L	91.9	Very high	88.7	Confident	66 Å²	66	62.1 Å²	62.1	35%	0.346	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	128.8	175.3	-174.8	64.4	0	0	0	109.5	K34 W36	L24-K34 HydrophobicContact CD1-CB 3.72Å; L24-K34 HydrophobicContact CD1-CD 3.93Å; L24-K34 HydrophobicContact CD1-CG 3.85Å; L24-W36 VanDerWaalsContact CA-CE3 3.45Å; L24-W36 HydrophobicContact CB-CE3 3.83Å; L24-W36 HydrophobicContact CB-CH2 4.43Å; L24-W36 HydrophobicContact CB-CZ3 3.71Å; L24-W36 HydrophobicContact CD1-CD2 4.13Å; L24-W36 HydrophobicContact CD1-CE3 4.14Å; L24-W36 HydrophobicContact CD1-CH2 4.18Å; L24-W36 HydrophobicContact CD1-CZ2 4.19Å; L24-W36 HydrophobicContact CD1-CZ3 4.15Å; L24-W36 HydrophobicContact CG-CZ3 4.5Å; L24-W36 VanDerWaalsContact N-CE3 3.29Å
25	D	92.1	Very high	88.8	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-60.6	178.6	-177.7	21.8	0	0	0	110.6	T23 S35 R37 R49	T23-D25 PolarHBondContact O-N 2.67Å; D25-S35 VanDerWaalsContact CB-O 3.27Å; D25-S35 WeakPolarHBondContact CB-O 3.46Å; D25-S35 PolarHBondContact N-O 3.19Å; D25-R37 HydrophobicContact CB-CG 4.02Å; D25-R37 VanDerWaalsContact CG-NH2 3.26Å; D25-R37 IonicContact OD1-CZ 3.5Å; D25-R37 IonicContact OD1-NE 3.27Å; D25-R37 PolarHBondContact OD1-NE 3.25Å; D25-R37 IonicContact OD1-NH2 3.55Å; D25-R37 PolarHBondContact OD1-NH2 3.31Å; D25-R37 IonicContact OD2-CZ 3.8Å; D25-R37 IonicContact OD2-NE 2.88Å; D25-R37 PolarHBondContact OD2-NE 2.95Å; D25-R37 IonicContact OD2-NH2 2.74Å; D25-R37 PolarHBondContact OD2-NH2 3.3Å; D25-R37 VanDerWaalsContact OD2-NH2 3.14Å; D25-R49 IonicContact OD2-NH1 2.68Å
26	R	90.2	Very high	89	Confident	157 Å²	157	61.8 Å²	61.8	59%	0.592	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.6	179.5	58.9	-178.8	-173.8	160.3	2.4	110	S35	R26-S35 WeakPolarHBondContact CG-OG 3.3Å; R26-S35 PolarHBondContact N-O 2.84Å; R26-S35 PolarHBondContact O-N 2.86Å; R26-S35 PolarHBondContact O-OG 3.09Å
27	L	86.6	Confident	89.3	Confident	73 Å²	73	65.5 Å²	65.5	38%	0.382	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.3	164.3	-174.3	67.4	0	0	0	107.1	L31 K34 A54	L27-L31 HydrophobicContact CD2-CB 4.14Å; L27-L31 HydrophobicContact CD2-CD2 3.3Å; L27-L31 HydrophobicContact CD2-CG 4.29Å; L27-L31 HydrophobicContact CG-CB 4.49Å; L27-L31 HydrophobicContact CG-CD2 3.92Å; L27-K34 HydrophobicContact CD1-CB 4.46Å; L27-K34 HydrophobicContact CD1-CG 3.44Å; L27-K34 VanDerWaalsContact CD1-CG 3.44Å; L27-A54 HydrophobicContact CD1-CB 3.94Å
28	N	84.9	Confident	89.5	Confident	48 Å²	48	65.5 Å²	65.5	26%	0.257	31%	0.306	S	S	.	.			trans	-67	162	178.2	72.9	-18.4	0	0	0	111.6	H30 L31 R32 T33	N28-H30 PolarHBondContact O-N 2.87Å; N28-H30 VanDerWaalsContact O-N 3.15Å; N28-L31 PolarHBondContact O-N 3.15Å; N28-L31 WeakPolarHBondContact OD1-CA 3.47Å; N28-L31 PolarHBondContact OD1-N 3.21Å; N28-L31 VanDerWaalsContact OD1-N 3.11Å; N28-R32 PolarHBondContact OD1-N 3.27Å; N28-T33 WeakPolarHBondContact CB-OG1 3.46Å; N28-T33 PolarHBondContact N-O 3.04Å; N28-T33 PolarHBondContact ND2-OG1 3.42Å; N28-T33 PolarHBondContact OD1-N 3.34Å; N28-T33 PolarHBondContact OD1-O 3.45Å
29	E	76.9	Confident	89.6	Confident	184 Å²	184	62.3 Å²	62.3	86%	0.86	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.2	-176.3	-67.6	175.2	-173.7	0	0	113.2	L31	E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.5Å
30	H	83.2	Confident	89.8	Confident	142 Å²	142	64.1 Å²	64.1	66%	0.657	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.7	177.9	-53.5	-54.7	0	0	0	114.2	N28 R32	N28-H30 PolarHBondContact O-N 2.87Å; N28-H30 VanDerWaalsContact O-N 3.15Å; H30-R32 HydrophobicContact CB-CG 4.22Å; H30-R32 WeakPolarHBondContact O-CG 3.5Å; H30-R32 PolarHBondContact O-N 2.97Å
31	L	78.7	Confident	89.9	Confident	117 Å²	117	65.8 Å²	65.8	61%	0.613	30%	0.301	S	S	*	.	S	Bend	trans	57.2	17.3	-178.4	-46.7	175.9	0	0	0	115.2	L27 N28 E29 A54	L27-L31 HydrophobicContact CD2-CB 4.14Å; L27-L31 HydrophobicContact CD2-CD2 3.3Å; L27-L31 HydrophobicContact CD2-CG 4.29Å; L27-L31 HydrophobicContact CG-CB 4.49Å; L27-L31 HydrophobicContact CG-CD2 3.92Å; N28-L31 PolarHBondContact O-N 3.15Å; N28-L31 WeakPolarHBondContact OD1-CA 3.47Å; N28-L31 PolarHBondContact OD1-N 3.21Å; N28-L31 VanDerWaalsContact OD1-N 3.11Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.5Å; L31-A54 VanDerWaalsContact O-CB 3.23Å; L31-A54 WeakPolarHBondContact O-CB 3.35Å
32	R	87.6	Confident	89.8	Confident	178 Å²	178	73.5 Å²	73.5	67%	0.672	33%	0.33	S	S	*	.	S	Bend	trans	-90.5	-27.7	-177.4	-66.6	-173.4	-179	-175.1	-1.2	113.9	N28 H30 A54	N28-R32 PolarHBondContact OD1-N 3.27Å; H30-R32 HydrophobicContact CB-CG 4.22Å; H30-R32 WeakPolarHBondContact O-CG 3.5Å; H30-R32 PolarHBondContact O-N 2.97Å; R32-A54 WeakPolarHBondContact O-CB 3.36Å; R32-A54 PolarHBondContact O-N 3.29Å
33	T	89.4	Confident	89.7	Confident	28 Å²	28	78.9 Å²	78.9	17%	0.172	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.9	-174.5	66.7	0	0	0	0	111.5	N28 T52 W53 I60	N28-T33 WeakPolarHBondContact CB-OG1 3.46Å; N28-T33 PolarHBondContact N-O 3.04Å; N28-T33 PolarHBondContact ND2-OG1 3.42Å; N28-T33 PolarHBondContact OD1-N 3.34Å; N28-T33 PolarHBondContact OD1-O 3.45Å; T33-T52 CarbonylContact C-O 3.48Å; T33-T52 VanDerWaalsContact CA-O 3.27Å; T33-T52 WeakPolarHBondContact CA-O 3.36Å; T33-W53 HydrophobicContact CG2-CE3 3.68Å; T33-W53 HydrophobicContact CG2-CH2 4.44Å; T33-W53 HydrophobicContact CG2-CZ3 3.58Å; T33-I60 HydrophobicContact CG2-CD1 3.42Å; T33-I60 VanDerWaalsContact CG2-CD1 3.42Å
34	K	92.3	Very high	89.7	Confident	39 Å²	39	83.2 Å²	83.2	17%	0.17	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.1	170.4	-71.6	-178.6	-179.9	-167.8	0	108.3	E13 L24 L27 W36 H51 T52 A54	E13-K34 IonicContact OE1-NZ 3.31Å; E13-K34 PolarHBondContact OE1-NZ 3.08Å; E13-K34 IonicContact OE2-NZ 3.97Å; E13-K34 PolarHBondContact OE2-NZ 2.64Å; L24-K34 HydrophobicContact CD1-CB 3.72Å; L24-K34 HydrophobicContact CD1-CD 3.93Å; L24-K34 HydrophobicContact CD1-CG 3.85Å; L27-K34 HydrophobicContact CD1-CB 4.46Å; L27-K34 HydrophobicContact CD1-CG 3.44Å; L27-K34 VanDerWaalsContact CD1-CG 3.44Å; K34-W36 HydrophobicContact CB-CZ2 3.81Å; K34-W36 HydrophobicContact CD-CH2 4Å; K34-W36 HydrophobicContact CD-CZ2 3.46Å; K34-W36 VanDerWaalsContact CD-CZ2 3.46Å; K34-W36 HydrophobicContact CG-CZ2 4.26Å; K34-H51 CarbonylContact O-C 3.52Å; K34-H51 WeakPolarHBondContact O-CA 3.4Å; K34-T52 PolarHBondContact N-O 3.17Å; K34-T52 PolarHBondContact O-N 3.44Å; K34-A54 HydrophobicContact CG-CB 4.23Å
35	S	93.3	Very high	89.7	Confident	7 Å²	7	88.3 Å²	88.3	5%	0.049	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.5	169.3	61.6	0	0	0	0	109.8	D25 R26 L50	D25-S35 VanDerWaalsContact CB-O 3.27Å; D25-S35 WeakPolarHBondContact CB-O 3.46Å; D25-S35 PolarHBondContact N-O 3.19Å; R26-S35 WeakPolarHBondContact CG-OG 3.3Å; R26-S35 PolarHBondContact N-O 2.84Å; R26-S35 PolarHBondContact O-N 2.86Å; R26-S35 PolarHBondContact O-OG 3.09Å; S35-L50 CarbonylContact C-O 3.47Å; S35-L50 WeakPolarHBondContact CA-O 3.47Å
36	W	95.4	Very high	89.8	Confident	2 Å²	2	86.3 Å²	86.3	1%	0.008	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.4	-170.4	-44.7	80.4	0	0	0	109.5	E13 F15 Y22 T23 L24 K34 R49 L50 T52	E13-W36 HydrophobicContact CG-CH2 3.92Å; E13-W36 HydrophobicContact CG-CZ3 4.11Å; F15-W36 HydrophobicContact CB-CD2 3.71Å; F15-W36 HydrophobicContact CB-CE3 3.59Å; F15-W36 HydrophobicContact CB-CG 4.34Å; F15-W36 HydrophobicContact CB-CH2 4.01Å; F15-W36 HydrophobicContact CB-CZ2 4.08Å; F15-W36 HydrophobicContact CB-CZ3 3.78Å; F15-W36 HydrophobicContact CD2-CH2 4.33Å; F15-W36 AromaticContact CD2-CZ2 3.95Å; F15-W36 HydrophobicContact CD2-CZ2 3.95Å; F15-W36 HydrophobicContact CG-CD2 4.42Å; F15-W36 HydrophobicContact CG-CZ2 4.33Å; Y22-W36 HydrophobicContact CD1-CB 4.4Å; Y22-W36 HydrophobicContact CG-CB 4.32Å; T23-W36 CarbonylContact O-C 3.51Å; T23-W36 VanDerWaalsContact O-CA 3.26Å; T23-W36 WeakPolarHBondContact O-CA 3.37Å; L24-W36 VanDerWaalsContact CA-CE3 3.45Å; L24-W36 HydrophobicContact CB-CE3 3.83Å; L24-W36 HydrophobicContact CB-CH2 4.43Å; L24-W36 HydrophobicContact CB-CZ3 3.71Å; L24-W36 HydrophobicContact CD1-CD2 4.13Å; L24-W36 HydrophobicContact CD1-CE3 4.14Å; L24-W36 HydrophobicContact CD1-CH2 4.18Å; L24-W36 HydrophobicContact CD1-CZ2 4.19Å; L24-W36 HydrophobicContact CD1-CZ3 4.15Å; L24-W36 HydrophobicContact CG-CZ3 4.5Å; L24-W36 VanDerWaalsContact N-CE3 3.29Å; K34-W36 HydrophobicContact CB-CZ2 3.81Å; K34-W36 HydrophobicContact CD-CH2 4Å; K34-W36 HydrophobicContact CD-CZ2 3.46Å; K34-W36 VanDerWaalsContact CD-CZ2 3.46Å; K34-W36 HydrophobicContact CG-CZ2 4.26Å; W36-R49 CarbonylContact O-C 3.56Å; W36-R49 WeakPolarHBondContact O-CA 3.17Å; W36-R49 VanDerWaalsContact O-CB 3.3Å; W36-R49 WeakPolarHBondContact O-CB 3.45Å; W36-L50 HydrophobicContact CB-CB 4.25Å; W36-L50 PolarHBondContact N-O 2.98Å; W36-L50 PolarHBondContact O-N 3.27Å; W36-T52 PolarHBondContact NE1-OG1 3.19Å
37	R	95.7	Very high	90	Very high	93 Å²	93	88.3 Å²	88.3	35%	0.351	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.4	173.2	-64.8	-179.5	-155.2	-168	15.8	109.7	Y22 T23 D25 D39 R49	Y22-R37 CarbonylContact C-O 3.6Å; Y22-R37 VanDerWaalsContact CA-O 3.24Å; Y22-R37 WeakPolarHBondContact CA-O 3.39Å; T23-R37 PolarHBondContact N-O 3.47Å; T23-R37 PolarHBondContact O-N 3.23Å; D25-R37 HydrophobicContact CB-CG 4.02Å; D25-R37 VanDerWaalsContact CG-NH2 3.26Å; D25-R37 IonicContact OD1-CZ 3.5Å; D25-R37 IonicContact OD1-NE 3.27Å; D25-R37 PolarHBondContact OD1-NE 3.25Å; D25-R37 IonicContact OD1-NH2 3.55Å; D25-R37 PolarHBondContact OD1-NH2 3.31Å; D25-R37 IonicContact OD2-CZ 3.8Å; D25-R37 IonicContact OD2-NE 2.88Å; D25-R37 PolarHBondContact OD2-NE 2.95Å; D25-R37 IonicContact OD2-NH2 2.74Å; D25-R37 PolarHBondContact OD2-NH2 3.3Å; D25-R37 VanDerWaalsContact OD2-NH2 3.14Å; R37-D39 PolarHBondContact O-N 2.96Å; R37-R49 HydrophobicContact CG-CG 4.3Å
38	C	94.9	Very high	90.4	Very high	2 Å²	2	84.9 Å²	84.9	1%	0.014	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	136.2	172.9	-179.1	0	0	0	0	111.7	K40 R41 C46 A48 H66 H68	C38-K40 VanDerWaalsContact C-N 3.32Å; C38-K40 PolarHBondContact SG-N 2.85Å; C38-K40 VanDerWaalsContact SG-N 3.41Å; C38-R41 VanDerWaalsContact O-CB 3.3Å; C38-R41 WeakPolarHBondContact O-CB 3.28Å; C38-R41 WeakPolarHBondContact O-CG 3.43Å; C38-R41 PolarHBondContact O-N 3.27Å; C38-R41 PolarHBondContact O-NH1 2.78Å; C38-C46 HydrophobicContact CB-CB 4.23Å; C38-A48 HydrophobicContact CB-CB 4.28Å; C38-A48 PolarHBondContact N-O 2.8Å; C38-H66 VanDerWaalsContact SG-CE1 3.55Å; C38-H68 PolarHBondContact SG-NE2 3.47Å
39	D	91.4	Very high	90.9	Very high	46 Å²	46	86.8 Å²	86.8	25%	0.246	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-69.1	-34.3	179.6	-154.7	18.4	0	0	0	112.2	K14 M21 T23 R37 R41	K14-D39 IonicContact NZ-OD1 3.37Å; K14-D39 PolarHBondContact NZ-OD1 2.91Å; K14-D39 IonicContact NZ-OD2 3.1Å; K14-D39 PolarHBondContact NZ-OD2 3.12Å; M21-D39 HydrophobicContact CB-CB 4.07Å; M21-D39 WeakPolarHBondContact O-CB 3.44Å; M21-D39 PolarHBondContact O-N 2.92Å; T23-D39 PolarHBondContact OG1-OD1 2.95Å; R37-D39 PolarHBondContact O-N 2.96Å; D39-R41 PolarHBondContact O-N 2.92Å
40	K	91.5	Very high	91.7	Very high	57 Å²	57	78 Å²	78	25%	0.248	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-78.8	12.2	177	-77.1	-174.4	-178.6	-178.1	0	113.4	C38 Y42 T43 Y44 D71	C38-K40 VanDerWaalsContact C-N 3.32Å; C38-K40 PolarHBondContact SG-N 2.85Å; C38-K40 VanDerWaalsContact SG-N 3.41Å; K40-Y42 VanDerWaalsContact C-N 3.29Å; K40-Y42 PolarHBondContact O-N 3.43Å; K40-T43 PolarHBondContact O-N 2.83Å; K40-Y44 HydrophobicContact CB-CD2 3.83Å; K40-Y44 HydrophobicContact CB-CE2 4.42Å; K40-Y44 HydrophobicContact CD-CD2 4.07Å; K40-Y44 HydrophobicContact CD-CE2 3.82Å; K40-Y44 HydrophobicContact CG-CD2 4.21Å; K40-Y44 HydrophobicContact CG-CE2 4.31Å; K40-Y44 PolarHBondContact O-N 3.16Å; K40-D71 IonicContact NZ-OD2 3.7Å; K40-D71 PolarHBondContact NZ-OD2 2.97Å
41	R	93.2	Very high	92.2	Very high	58 Å²	58	72.4 Å²	72.4	22%	0.219	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-59	-31.1	-178.4	70.8	-176.9	176.6	-78.2	3.1	115.2	C38 D39 K45 C46	C38-R41 VanDerWaalsContact O-CB 3.3Å; C38-R41 WeakPolarHBondContact O-CB 3.28Å; C38-R41 WeakPolarHBondContact O-CG 3.43Å; C38-R41 PolarHBondContact O-N 3.27Å; C38-R41 PolarHBondContact O-NH1 2.78Å; D39-R41 PolarHBondContact O-N 2.92Å; R41-K45 CarbonylContact O-C 3.54Å; R41-K45 WeakPolarHBondContact O-CA 3.27Å; R41-K45 PolarHBondContact O-N 3.16Å; R41-K45 VanDerWaalsContact O-N 3.14Å; R41-C46 VanDerWaalsContact CB-O 3.27Å; R41-C46 WeakPolarHBondContact CB-O 3.47Å; R41-C46 PolarHBondContact O-N 3.49Å
42	Y	91.3	Very high	92.9	Very high	177 Å²	177	66.9 Å²	66.9	69%	0.694	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-41.6	180	-62.6	-61.2	0	0	0	111	K40	K40-Y42 VanDerWaalsContact C-N 3.29Å; K40-Y42 PolarHBondContact O-N 3.43Å
43	T	91	Very high	93	Very high	114 Å²	114	64 Å²	64	70%	0.699	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-45	-179	-47.7	0	0	0	0	112.1	K40	K40-T43 PolarHBondContact O-N 2.83Å
44	Y	92.2	Very high	92.7	Very high	112 Å²	112	64.2 Å²	64.2	44%	0.439	28%	0.279	S	S	.	.	S	Bend	trans	-107.3	4.5	-175.5	-67.4	-91.5	0	0	0	113.2	K40 C46 N67 H68	K40-Y44 HydrophobicContact CB-CD2 3.83Å; K40-Y44 HydrophobicContact CB-CE2 4.42Å; K40-Y44 HydrophobicContact CD-CD2 4.07Å; K40-Y44 HydrophobicContact CD-CE2 3.82Å; K40-Y44 HydrophobicContact CG-CD2 4.21Å; K40-Y44 HydrophobicContact CG-CE2 4.31Å; K40-Y44 PolarHBondContact O-N 3.16Å; Y44-C46 PolarHBondContact O-N 3.11Å; Y44-C46 VanDerWaalsContact O-N 3.08Å; Y44-N67 PolarHBondContact O-ND2 2.62Å; Y44-N67 PolarHBondContact O-OD1 2.94Å; Y44-H68 HydrophobicContact CD1-CB 3.57Å; Y44-H68 HydrophobicContact CD2-CB 4.16Å; Y44-H68 HydrophobicContact CE1-CB 3.89Å; Y44-H68 HydrophobicContact CE2-CB 4.45Å; Y44-H68 HydrophobicContact CG-CB 3.71Å
45	K	93	Very high	92.1	Very high	173 Å²	173	68.9 Å²	68.9	75%	0.752	31%	0.305	S	S	*	.			trans	54.1	25.7	-169.9	-59.7	-179.3	-179.3	176	0	112.8	R41 R47	R41-K45 CarbonylContact O-C 3.54Å; R41-K45 WeakPolarHBondContact O-CA 3.27Å; R41-K45 PolarHBondContact O-N 3.16Å; R41-K45 VanDerWaalsContact O-N 3.14Å; K45-R47 PolarHBondContact O-N 2.63Å
46	C	93.4	Very high	91.7	Very high	6 Å²	6	72.1 Å²	72.1	4%	0.041	33%	0.325	C	S	.	.			trans	-63.7	129	-175.3	-174.9	0	0	0	0	111.7	C38 R41 Y44 H66 N67 H68	C38-C46 HydrophobicContact CB-CB 4.23Å; R41-C46 VanDerWaalsContact CB-O 3.27Å; R41-C46 WeakPolarHBondContact CB-O 3.47Å; R41-C46 PolarHBondContact O-N 3.49Å; Y44-C46 PolarHBondContact O-N 3.11Å; Y44-C46 VanDerWaalsContact O-N 3.08Å; C46-H66 PolarHBondContact SG-ND1 3.11Å; C46-N67 WeakPolarHBondContact CA-OD1 3.42Å; C46-N67 VanDerWaalsContact CB-OD1 3.27Å; C46-N67 WeakPolarHBondContact CB-OD1 3.43Å; C46-H68 PolarHBondContact SG-NE2 3.04Å; C46-H68 VanDerWaalsContact SG-NE2 3.42Å
47	R	94.4	Very high	91.1	Very high	199 Å²	199	73 Å²	73	75%	0.751	33%	0.334	S	S	*	.			trans	-102.5	2.2	-178	-61.7	-175.3	-180	-176.9	-0	113.5	K45 R49 N64	K45-R47 PolarHBondContact O-N 2.63Å; R47-R49 PolarHBondContact O-N 3.35Å; R47-N64 HydrophobicContact CB-CB 4.5Å; R47-N64 PolarHBondContact O-ND2 3.06Å
48	A	95.3	Very high	90.8	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.008	35%	0.346	C	S	.	.			trans	-58.6	134.1	177.4	0	0	0	0	0	111.5	C38 V63 H66	C38-A48 HydrophobicContact CB-CB 4.28Å; C38-A48 PolarHBondContact N-O 2.8Å; A48-V63 CarbonylContact C-O 3.5Å; A48-V63 WeakPolarHBondContact CA-O 3.47Å; A48-H66 VanDerWaalsContact CB-CE1 3.47Å; A48-H66 WeakPolarHBondContact CB-CE1 3.34Å
49	R	95.5	Very high	90.7	Very high	87 Å²	87	76.6 Å²	76.6	33%	0.328	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.3	175.1	-56.1	-174.5	178.4	-160.3	1.1	110.3	D25 W36 R37 R47 V63	D25-R49 IonicContact OD2-NH1 2.68Å; W36-R49 CarbonylContact O-C 3.56Å; W36-R49 WeakPolarHBondContact O-CA 3.17Å; W36-R49 VanDerWaalsContact O-CB 3.3Å; W36-R49 WeakPolarHBondContact O-CB 3.45Å; R37-R49 HydrophobicContact CG-CG 4.3Å; R47-R49 PolarHBondContact O-N 3.35Å; R49-V63 HydrophobicContact CB-CB 4.19Å; R49-V63 PolarHBondContact N-O 3.14Å; R49-V63 PolarHBondContact O-N 2.81Å
50	L	93.6	Very high	90.7	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.1	178.6	-174.5	76.5	0	0	0	108.9	F15 H17 Y22 S35 W36 T52 V59 L62	F15-L50 HydrophobicContact CD1-CD2 3.15Å; F15-L50 HydrophobicContact CE1-CD2 3.38Å; F15-L50 HydrophobicContact CG-CD2 4.11Å; F15-L50 HydrophobicContact CZ-CD2 4.49Å; H17-L50 HydrophobicContact CB-CD2 4.13Å; Y22-L50 HydrophobicContact CD1-CB 3.76Å; Y22-L50 HydrophobicContact CD2-CD2 4.2Å; Y22-L50 HydrophobicContact CE1-CB 3.69Å; Y22-L50 HydrophobicContact CE2-CD2 4.29Å; Y22-L50 HydrophobicContact CG-CB 4.23Å; Y22-L50 HydrophobicContact CG-CD2 4.42Å; S35-L50 CarbonylContact C-O 3.47Å; S35-L50 WeakPolarHBondContact CA-O 3.47Å; W36-L50 HydrophobicContact CB-CB 4.25Å; W36-L50 PolarHBondContact N-O 2.98Å; W36-L50 PolarHBondContact O-N 3.27Å; L50-T52 HydrophobicContact CD2-CG2 3.9Å; L50-T52 HydrophobicContact CG-CG2 4.15Å; L50-V59 HydrophobicContact CD1-CB 4.31Å; L50-V59 HydrophobicContact CD1-CG1 3.44Å; L50-V59 VanDerWaalsContact CD1-CG1 3.44Å; L50-V59 HydrophobicContact CD1-CG2 3.94Å; L50-V59 HydrophobicContact CD2-CG2 4.26Å; L50-V59 HydrophobicContact CG-CG1 4.4Å; L50-V59 HydrophobicContact CG-CG2 4.45Å; L50-L62 HydrophobicContact CD1-CD2 3.52Å; L50-L62 HydrophobicContact CD1-CG 3.78Å
51	H	93.5	Very high	90.7	Very high	25 Å²	25	81.7 Å²	81.7	12%	0.116	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	169.1	-68.8	-99.9	0	0	0	109.1	K34 I60 R61	K34-H51 CarbonylContact O-C 3.52Å; K34-H51 WeakPolarHBondContact O-CA 3.4Å; H51-I60 HydrophobicContact CB-CB 4.16Å; H51-I60 PolarHBondContact O-N 2.97Å; H51-R61 HydrophobicContact CB-CG 3.92Å; H51-R61 PolarHBondContact CD2-NE 3.46Å; H51-R61 PolarHBondContact N-O 3.22Å; H51-R61 PolarHBondContact O-N 3.24Å
52	T	93.3	Very high	90.6	Very high	1 Å²	1	82.5 Å²	82.5	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.7	177.2	68	0	0	0	0	110.4	F15 T33 K34 W36 L50 K58 V59 I60	F15-T52 HydrophobicContact CD1-CG2 4.27Å; F15-T52 HydrophobicContact CD2-CG2 4.24Å; F15-T52 HydrophobicContact CE1-CG2 3.86Å; F15-T52 HydrophobicContact CE2-CG2 3.86Å; F15-T52 HydrophobicContact CG-CG2 4.43Å; F15-T52 HydrophobicContact CZ-CG2 3.64Å; T33-T52 CarbonylContact C-O 3.48Å; T33-T52 VanDerWaalsContact CA-O 3.27Å; T33-T52 WeakPolarHBondContact CA-O 3.36Å; K34-T52 PolarHBondContact N-O 3.17Å; K34-T52 PolarHBondContact O-N 3.44Å; W36-T52 PolarHBondContact NE1-OG1 3.19Å; L50-T52 HydrophobicContact CD2-CG2 3.9Å; L50-T52 HydrophobicContact CG-CG2 4.15Å; T52-K58 CarbonylContact C-O 3.54Å; T52-K58 WeakPolarHBondContact CA-O 3.21Å; T52-V59 HydrophobicContact CG2-CG2 4.35Å; T52-I60 VanDerWaalsContact C-CD1 3.45Å
53	W	89.8	Confident	90.7	Very high	117 Å²	117	76.2 Å²	76.2	44%	0.443	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.5	164.2	-66.9	116	0	0	0	109	T33 D55 T56 G57 K58 I60	T33-W53 HydrophobicContact CG2-CE3 3.68Å; T33-W53 HydrophobicContact CG2-CH2 4.44Å; T33-W53 HydrophobicContact CG2-CZ3 3.58Å; W53-D55 WeakPolarHBondContact CB-OD1 3.44Å; W53-T56 VanDerWaalsContact CB-OG1 3.31Å; W53-T56 WeakPolarHBondContact CB-OG1 3.34Å; W53-G57 VanDerWaalsContact O-CA 3.24Å; W53-G57 WeakPolarHBondContact O-CA 3.38Å; W53-G57 PolarHBondContact O-N 3.18Å; W53-K58 PolarHBondContact N-O 2.82Å; W53-I60 HydrophobicContact CD2-CD1 3.58Å; W53-I60 HydrophobicContact CD2-CG1 3.82Å; W53-I60 HydrophobicContact CE3-CD1 3.85Å; W53-I60 HydrophobicContact CG-CD1 3.92Å; W53-I60 HydrophobicContact CG-CG1 3.82Å; W53-I60 HydrophobicContact CH2-CD1 4.36Å; W53-I60 HydrophobicContact CZ2-CD1 4.15Å; W53-I60 HydrophobicContact CZ2-CG1 4.25Å; W53-I60 HydrophobicContact CZ3-CD1 4.22Å
54	A	83.4	Confident	90.7	Very high	33 Å²	33	75.4 Å²	75.4	27%	0.273	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-29.7	-173.5	0	0	0	0	0	112.7	L27 L31 R32 K34	L27-A54 HydrophobicContact CD1-CB 3.94Å; L31-A54 VanDerWaalsContact O-CB 3.23Å; L31-A54 WeakPolarHBondContact O-CB 3.35Å; R32-A54 WeakPolarHBondContact O-CB 3.36Å; R32-A54 PolarHBondContact O-N 3.29Å; K34-A54 HydrophobicContact CG-CB 4.23Å
55	D	79.6	Confident	90.6	Very high	136 Å²	136	78.7 Å²	78.7	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-46.8	-178.5	58.9	-15.2	0	0	0	112.7	W53	W53-D55 WeakPolarHBondContact CB-OD1 3.44Å
56	T	84.5	Confident	90.6	Very high	76 Å²	76	72.5 Å²	72.5	47%	0.466	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.8	-173.5	58.3	0	0	0	0	113.1	W53 K58	W53-T56 VanDerWaalsContact CB-OG1 3.31Å; W53-T56 WeakPolarHBondContact CB-OG1 3.34Å; T56-K58 PolarHBondContact O-N 3.28Å; T56-K58 VanDerWaalsContact O-N 3.08Å; T56-K58 PolarHBondContact OG1-N 3.36Å
57	G	82.9	Confident	90.6	Very high	19 Å²	19	76.7 Å²	76.7	20%	0.196	37%	0.368	C	S	.	.			trans	66	3.2	-171.3	0	0	0	0	0	114	F15 W53 V59	F15-G57 WeakPolarHBondContact CE2-O 3.4Å; F15-G57 WeakPolarHBondContact CZ-O 3.25Å; W53-G57 VanDerWaalsContact O-CA 3.24Å; W53-G57 WeakPolarHBondContact O-CA 3.38Å; W53-G57 PolarHBondContact O-N 3.18Å; G57-V59 PolarHBondContact O-N 3.21Å
58	K	89.5	Confident	90.4	Very high	139 Å²	139	68.3 Å²	68.3	60%	0.604	34%	0.338	S	S	*	.			trans	-64.6	134.5	179.9	-75.7	-179.9	179.5	178.7	0	110.2	T52 W53 T56 I60	T52-K58 CarbonylContact C-O 3.54Å; T52-K58 WeakPolarHBondContact CA-O 3.21Å; W53-K58 PolarHBondContact N-O 2.82Å; T56-K58 PolarHBondContact O-N 3.28Å; T56-K58 VanDerWaalsContact O-N 3.08Å; T56-K58 PolarHBondContact OG1-N 3.36Å; K58-I60 PolarHBondContact O-N 2.87Å
59	V	91.7	Very high	90.1	Very high	33 Å²	33	76.6 Å²	76.6	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	123.1	176.2	176	0	0	0	0	109.7	F15 L50 T52 G57	F15-V59 HydrophobicContact CE1-CG2 3.95Å; F15-V59 HydrophobicContact CZ-CG2 4.24Å; L50-V59 HydrophobicContact CD1-CB 4.31Å; L50-V59 HydrophobicContact CD1-CG1 3.44Å; L50-V59 VanDerWaalsContact CD1-CG1 3.44Å; L50-V59 HydrophobicContact CD1-CG2 3.94Å; L50-V59 HydrophobicContact CD2-CG2 4.26Å; L50-V59 HydrophobicContact CG-CG1 4.4Å; L50-V59 HydrophobicContact CG-CG2 4.45Å; T52-V59 HydrophobicContact CG2-CG2 4.35Å; G57-V59 PolarHBondContact O-N 3.21Å
60	I	91.3	Very high	89.8	Confident	66 Å²	66	75.4 Å²	75.4	34%	0.338	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-51.8	175.2	-57.9	173	0	0	0	109.4	T33 H51 T52 W53 K58	T33-I60 HydrophobicContact CG2-CD1 3.42Å; T33-I60 VanDerWaalsContact CG2-CD1 3.42Å; H51-I60 HydrophobicContact CB-CB 4.16Å; H51-I60 PolarHBondContact O-N 2.97Å; T52-I60 VanDerWaalsContact C-CD1 3.45Å; W53-I60 HydrophobicContact CD2-CD1 3.58Å; W53-I60 HydrophobicContact CD2-CG1 3.82Å; W53-I60 HydrophobicContact CE3-CD1 3.85Å; W53-I60 HydrophobicContact CG-CD1 3.92Å; W53-I60 HydrophobicContact CG-CG1 3.82Å; W53-I60 HydrophobicContact CH2-CD1 4.36Å; W53-I60 HydrophobicContact CZ2-CD1 4.15Å; W53-I60 HydrophobicContact CZ2-CG1 4.25Å; W53-I60 HydrophobicContact CZ3-CD1 4.22Å; K58-I60 PolarHBondContact O-N 2.87Å
61	R	92.1	Very high	89.6	Confident	143 Å²	143	77.2 Å²	77.2	54%	0.54	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	153.7	-179.4	64	177	-172.3	-179.4	3.3	112.2	H51 V63	H51-R61 HydrophobicContact CB-CG 3.92Å; H51-R61 PolarHBondContact CD2-NE 3.46Å; H51-R61 PolarHBondContact N-O 3.22Å; H51-R61 PolarHBondContact O-N 3.24Å; R61-V63 HydrophobicContact CG-CG2 4.42Å
62	L	91.9	Very high	89.3	Confident	76 Å²	76	80.1 Å²	80.1	40%	0.398	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.1	166	-76.5	150.6	0	0	0	109.3	Y22 L50	Y22-L62 WeakPolarHBondContact OH-CD2 3.46Å; L50-L62 HydrophobicContact CD1-CD2 3.52Å; L50-L62 HydrophobicContact CD1-CG 3.78Å
63	V	92.1	Very high	89.1	Confident	44 Å²	44	81 Å²	81	27%	0.267	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.3	177.8	-178.2	0	0	0	0	108.5	A48 R49 R61	A48-V63 CarbonylContact C-O 3.5Å; A48-V63 WeakPolarHBondContact CA-O 3.47Å; R49-V63 HydrophobicContact CB-CB 4.19Å; R49-V63 PolarHBondContact N-O 3.14Å; R49-V63 PolarHBondContact O-N 2.81Å; R61-V63 HydrophobicContact CG-CG2 4.42Å
64	N	91.4	Very high	89	Confident	98 Å²	98	79 Å²	79	52%	0.524	41%	0.412	S	S	.	.	S	Bend	trans	64.3	154.8	-168.5	-47.4	-50.1	0	0	0	113.6	R47	R47-N64 HydrophobicContact CB-CB 4.5Å; R47-N64 PolarHBondContact O-ND2 3.06Å
65	E	91.5	Very high	89.3	Confident	181 Å²	181	78.2 Å²	78.2	85%	0.846	40%	0.404	S	S	*	.			trans	-87.2	156.3	173.8	-65.3	178.5	176.3	0	0	111.3
66	H	92.9	Very high	89.7	Confident	42 Å²	42	73.3 Å²	73.3	19%	0.194	38%	0.382	C	S	.	.			trans	-73	138.8	170.3	-74.5	-85.6	0	0	0	110.1	H20 Y22 C38 C46 A48 H68	H20-H66 AromaticContact CD2-CD2 3.39Å; H20-H66 PolarHBondContact CD2-CD2 3.38Å; H20-H66 AromaticContact CD2-CG 3.89Å; H20-H66 AromaticContact CD2-NE2 3.56Å; H20-H66 AromaticContact CE1-CD2 3.95Å; H20-H66 AromaticContact CE1-CG 3.67Å; H20-H66 AromaticContact CE1-ND1 3.98Å; H20-H66 AromaticContact CG-CD2 3.74Å; H20-H66 AromaticContact CG-CE1 3.67Å; H20-H66 AromaticContact CG-ND1 3.95Å; H20-H66 AromaticContact CG-NE2 3.53Å; H20-H66 AromaticContact ND1-CE1 3.93Å; H20-H66 AromaticContact ND1-CG 3.9Å; H20-H66 AromaticContact ND1-ND1 3.78Å; H20-H66 AromaticContact NE2-CD2 3.54Å; H20-H66 AromaticContact NE2-CG 3.68Å; Y22-H66 AromaticContact CE1-NE2 3.84Å; Y22-H66 AromaticContact CZ-CE1 3.93Å; Y22-H66 AromaticContact CZ-NE2 3.4Å; Y22-H66 PolarHBondContact OH-NE2 2.88Å; C38-H66 VanDerWaalsContact SG-CE1 3.55Å; C46-H66 PolarHBondContact SG-ND1 3.11Å; A48-H66 VanDerWaalsContact CB-CE1 3.47Å; A48-H66 WeakPolarHBondContact CB-CE1 3.34Å; H66-H68 AromaticContact ND1-CE1 3.33Å; H66-H68 PolarHBondContact ND1-CE1 3.24Å; H66-H68 VanDerWaalsContact ND1-CE1 3.33Å; H66-H68 AromaticContact ND1-NE2 3.18Å; H66-H68 PolarHBondContact ND1-NE2 2.84Å; H66-H68 VanDerWaalsContact ND1-NE2 3.18Å
67	N	92	Very high	90	Very high	94 Å²	94	69.8 Å²	69.8	50%	0.503	36%	0.361	S	S	.	.	S	Bend	trans	-101.9	21.1	174.4	67.6	-13.3	0	0	0	112.5	Y44 C46	Y44-N67 PolarHBondContact O-ND2 2.62Å; Y44-N67 PolarHBondContact O-OD1 2.94Å; C46-N67 WeakPolarHBondContact CA-OD1 3.42Å; C46-N67 VanDerWaalsContact CB-OD1 3.27Å; C46-N67 WeakPolarHBondContact CB-OD1 3.43Å
68	H	90.6	Very high	90.2	Very high	24 Å²	24	69.1 Å²	69.1	11%	0.111	35%	0.353	C	S	.	.	S	Bend	trans	-147.8	154.6	179.1	61.7	74.2	0	0	0	108.4	H20 C38 Y44 C46 H66	H20-H68 AromaticContact CE1-CE1 3.83Å; H20-H68 AromaticContact CE1-ND1 3.93Å; H20-H68 PolarHBondContact CE1-O 3.44Å; H20-H68 AromaticContact ND1-CE1 3.45Å; H20-H68 PolarHBondContact ND1-CE1 3.4Å; H20-H68 AromaticContact ND1-ND1 3.87Å; C38-H68 PolarHBondContact SG-NE2 3.47Å; Y44-H68 HydrophobicContact CD1-CB 3.57Å; Y44-H68 HydrophobicContact CD2-CB 4.16Å; Y44-H68 HydrophobicContact CE1-CB 3.89Å; Y44-H68 HydrophobicContact CE2-CB 4.45Å; Y44-H68 HydrophobicContact CG-CB 3.71Å; C46-H68 PolarHBondContact SG-NE2 3.04Å; C46-H68 VanDerWaalsContact SG-NE2 3.42Å; H66-H68 AromaticContact ND1-CE1 3.33Å; H66-H68 PolarHBondContact ND1-CE1 3.24Å; H66-H68 VanDerWaalsContact ND1-CE1 3.33Å; H66-H68 AromaticContact ND1-NE2 3.18Å; H66-H68 PolarHBondContact ND1-NE2 2.84Å; H66-H68 VanDerWaalsContact ND1-NE2 3.18Å
69	E	88.7	Confident	90.2	Very high	175 Å²	175	65.8 Å²	65.8	82%	0.818	34%	0.344	S	S	*	.			trans	-64.3	158.1	178	-65.4	-174.7	165.7	0	0	112.3
70	S	90.6	Very high	90.1	Very high	61 Å²	61	65.2 Å²	65.2	43%	0.427	34%	0.341	S	S	.	.			trans	-72.4	157.1	169.7	68.1	0	0	0	0	110	H20 P72	H20-S70 WeakPolarHBondContact CE1-CA 3.32Å; H20-S70 PolarHBondContact CE1-N 2.88Å; H20-S70 VanDerWaalsContact CE1-N 3.33Å; S70-P72 VanDerWaalsContact C-CD 3.49Å
71	D	87.6	Confident	90.1	Very high	39 Å²	39	63.1 Å²	63.1	21%	0.209	33%	0.329	C	S	.	.			trans	-131.3	69	-174.8	-162.9	-22.5	0	0	0	109.5	G19 K40 A73 Y74 V75	G19-D71 PolarHBondContact O-N 3.2Å; K40-D71 IonicContact NZ-OD2 3.7Å; K40-D71 PolarHBondContact NZ-OD2 2.97Å; D71-A73 PolarHBondContact O-N 2.7Å; D71-Y74 PolarHBondContact O-N 3.11Å; D71-Y74 WeakPolarHBondContact OD1-CB 3.39Å; D71-Y74 PolarHBondContact OD1-N 2.98Å; D71-Y74 WeakPolarHBondContact OD2-CB 3.1Å; D71-V75 WeakPolarHBondContact O-CG2 3.35Å; D71-V75 PolarHBondContact O-N 2.91Å
72	P	88.2	Confident	89.9	Confident	85 Å²	85	57.3 Å²	57.3	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-61.3	-31.7	-175.7	24.6	-33.6	0	0	0	111.7	S70 V75 A76	S70-P72 VanDerWaalsContact C-CD 3.49Å; P72-V75 PolarHBondContact O-N 3.5Å; P72-A76 VanDerWaalsContact O-CB 3.32Å; P72-A76 WeakPolarHBondContact O-CB 3.39Å; P72-A76 PolarHBondContact O-N 3.23Å
73	A	88.2	Confident	89.8	Confident	21 Å²	21	55.7 Å²	55.7	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-46.9	176.8	0	0	0	0	0	111.8	D71 A76 A77 Q113	D71-A73 PolarHBondContact O-N 2.7Å; A73-A76 PolarHBondContact O-N 3.43Å; A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 2.88Å; A73-Q113 HydrophobicContact CB-CG 4.09Å
74	Y	88.7	Confident	89.7	Confident	73 Å²	73	53.6 Å²	53.6	29%	0.286	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-42.5	175	-178.4	-101.3	0	0	0	112.6	M21 D71 A76 A77 I78	M21-Y74 HydrophobicContact SD-CD1 3.95Å; M21-Y74 HydrophobicContact SD-CE1 3.63Å; D71-Y74 PolarHBondContact O-N 3.11Å; D71-Y74 WeakPolarHBondContact OD1-CB 3.39Å; D71-Y74 PolarHBondContact OD1-N 2.98Å; D71-Y74 WeakPolarHBondContact OD2-CB 3.1Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.31Å; Y74-A77 PolarHBondContact O-N 3.08Å; Y74-I78 HydrophobicContact CD1-CG1 4.37Å; Y74-I78 HydrophobicContact CE1-CG1 3.96Å; Y74-I78 HydrophobicContact CE2-CD1 4.48Å; Y74-I78 HydrophobicContact CE2-CG1 4.41Å; Y74-I78 WeakPolarHBondContact O-CG1 3.44Å; Y74-I78 PolarHBondContact O-N 2.8Å
75	V	88.6	Confident	89.6	Confident	18 Å²	18	49.1 Å²	49.1	11%	0.109	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-45.1	176	167.4	0	0	0	0	111.2	V16 M21 D71 P72 I78 T79	V16-V75 HydrophobicContact CB-CG1 4.44Å; V16-V75 HydrophobicContact CG1-CB 4.45Å; V16-V75 HydrophobicContact CG1-CG1 3.37Å; V16-V75 HydrophobicContact CG1-CG2 4.17Å; V16-V75 HydrophobicContact CG2-CG1 4.19Å; M21-V75 HydrophobicContact CG-CG2 3.99Å; M21-V75 HydrophobicContact SD-CG2 4.49Å; D71-V75 WeakPolarHBondContact O-CG2 3.35Å; D71-V75 PolarHBondContact O-N 2.91Å; P72-V75 PolarHBondContact O-N 3.5Å; V75-I78 PolarHBondContact O-N 3.07Å; V75-T79 PolarHBondContact O-N 2.86Å; V75-T79 PolarHBondContact O-OG1 3.44Å
76	A	89.2	Confident	89.2	Confident	32 Å²	32	46.5 Å²	46.5	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.4	0	0	0	0	0	111.2	P72 A73 Y74 I78 T79 V80 V110	P72-A76 VanDerWaalsContact O-CB 3.32Å; P72-A76 WeakPolarHBondContact O-CB 3.39Å; P72-A76 PolarHBondContact O-N 3.23Å; A73-A76 PolarHBondContact O-N 3.43Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.31Å; A76-I78 PolarHBondContact O-N 2.92Å; A76-T79 WeakPolarHBondContact O-CB 3.32Å; A76-T79 PolarHBondContact O-N 3.48Å; A76-T79 VanDerWaalsContact O-N 3.14Å; A76-V80 WeakPolarHBondContact O-CG2 3.08Å; A76-V80 PolarHBondContact O-N 2.81Å; A76-V110 HydrophobicContact CB-CB 4.34Å; A76-V110 HydrophobicContact CB-CG1 3.66Å; A76-V110 HydrophobicContact CB-CG2 3.68Å
77	A	89.6	Confident	88.7	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-39.9	178.9	0	0	0	0	0	112.8	A73 Y74 V80 R81 V110 Q113 M114	A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 2.88Å; Y74-A77 PolarHBondContact O-N 3.08Å; A77-V80 PolarHBondContact O-N 3.37Å; A77-R81 PolarHBondContact O-N 2.94Å; A77-V110 HydrophobicContact CB-CG1 4.13Å; A77-Q113 HydrophobicContact CB-CB 3.91Å; A77-M114 HydrophobicContact CB-CG 3.93Å
78	I	88.7	Confident	88.3	Confident	5 Å²	5	44 Å²	44	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-40.8	174.2	-66.7	-64.3	0	0	0	111.4	T6 L7 L9 M21 Y74 V75 A76 V80 R81 N82	T6-I78 HydrophobicContact CG2-CG2 4.16Å; L7-I78 WeakPolarHBondContact O-CG2 3.42Å; L9-I78 HydrophobicContact CD2-CD1 3.98Å; L9-I78 HydrophobicContact CG-CD1 4.12Å; M21-I78 HydrophobicContact SD-CG1 4.42Å; Y74-I78 HydrophobicContact CD1-CG1 4.37Å; Y74-I78 HydrophobicContact CE1-CG1 3.96Å; Y74-I78 HydrophobicContact CE2-CD1 4.48Å; Y74-I78 HydrophobicContact CE2-CG1 4.41Å; Y74-I78 WeakPolarHBondContact O-CG1 3.44Å; Y74-I78 PolarHBondContact O-N 2.8Å; V75-I78 PolarHBondContact O-N 3.07Å; A76-I78 PolarHBondContact O-N 2.92Å; I78-V80 VanDerWaalsContact C-N 3.33Å; I78-V80 PolarHBondContact O-N 3.05Å; I78-R81 PolarHBondContact O-N 3.16Å; I78-N82 VanDerWaalsContact O-CG 3.31Å; I78-N82 PolarHBondContact O-N 3.14Å; I78-N82 PolarHBondContact O-ND2 2.93Å
79	T	88.3	Confident	87.5	Confident	70 Å²	70	46.4 Å²	46.4	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-46.4	176.2	-57.8	0	0	0	0	111	V75 A76 N82 A83	V75-T79 PolarHBondContact O-N 2.86Å; V75-T79 PolarHBondContact O-OG1 3.44Å; A76-T79 WeakPolarHBondContact O-CB 3.32Å; A76-T79 PolarHBondContact O-N 3.48Å; A76-T79 VanDerWaalsContact O-N 3.14Å; T79-N82 PolarHBondContact O-N 2.95Å; T79-A83 PolarHBondContact O-N 2.92Å
80	V	90.1	Very high	86.8	Confident	21 Å²	21	43.1 Å²	43.1	13%	0.127	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-44.5	178.7	171.6	0	0	0	0	111.3	A76 A77 I78 N82 A83 A84 V102 I106 M114	A76-V80 WeakPolarHBondContact O-CG2 3.08Å; A76-V80 PolarHBondContact O-N 2.81Å; A77-V80 PolarHBondContact O-N 3.37Å; I78-V80 VanDerWaalsContact C-N 3.33Å; I78-V80 PolarHBondContact O-N 3.05Å; V80-N82 VanDerWaalsContact C-N 3.28Å; V80-N82 PolarHBondContact O-N 3.4Å; V80-A83 WeakPolarHBondContact O-CB 3.46Å; V80-A83 PolarHBondContact O-N 2.85Å; V80-A84 PolarHBondContact O-N 3.47Å; V80-V102 HydrophobicContact CG1-CB 4.25Å; V80-V102 HydrophobicContact CG1-CG2 4.02Å; V80-I106 HydrophobicContact CB-CD1 3.88Å; V80-I106 HydrophobicContact CG1-CD1 3.36Å; V80-I106 HydrophobicContact CG2-CD1 3.28Å; V80-I106 HydrophobicContact CG2-CG1 4.28Å; V80-M114 HydrophobicContact CB-CE 4.49Å; V80-M114 HydrophobicContact CG1-CE 3.52Å; V80-M114 HydrophobicContact CG1-SD 3.94Å
81	R	90.8	Very high	85.8	Confident	22 Å²	22	41.8 Å²	41.8	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-56.7	-44.9	173.5	175	-173	176.3	-101.8	7.9	111.1	S8 L9 A77 I78 A84 L85 L120	S8-R81 PolarHBondContact O-NH1 3.47Å; L9-R81 VanDerWaalsContact CD2-CD 3.46Å; L9-R81 PolarHBondContact O-NH2 2.75Å; A77-R81 PolarHBondContact O-N 2.94Å; I78-R81 PolarHBondContact O-N 3.16Å; R81-A84 VanDerWaalsContact O-CB 3.27Å; R81-A84 WeakPolarHBondContact O-CB 3.48Å; R81-A84 PolarHBondContact O-N 3.29Å; R81-L85 HydrophobicContact CG-CD1 4.37Å; R81-L85 WeakPolarHBondContact O-CG 3.34Å; R81-L85 PolarHBondContact O-N 3.33Å; R81-L120 HydrophobicContact CB-CD2 4.19Å; R81-L120 HydrophobicContact CG-CD2 3.87Å
82	N	88.5	Confident	84.8	Confident	20 Å²	20	48 Å²	48	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-69.9	-35	-178	-69.5	-22	0	0	0	111.8	T6 L7 I78 T79 V80 A84 L85 Q86	T6-N82 PolarHBondContact OG1-ND2 2.78Å; L7-N82 PolarHBondContact N-ND2 3.41Å; L7-N82 PolarHBondContact O-ND2 3.23Å; L7-N82 PolarHBondContact O-OD1 3.07Å; I78-N82 VanDerWaalsContact O-CG 3.31Å; I78-N82 PolarHBondContact O-N 3.14Å; I78-N82 PolarHBondContact O-ND2 2.93Å; T79-N82 PolarHBondContact O-N 2.95Å; V80-N82 VanDerWaalsContact C-N 3.28Å; V80-N82 PolarHBondContact O-N 3.4Å; N82-A84 VanDerWaalsContact C-N 3.32Å; N82-A84 PolarHBondContact O-N 3.36Å; N82-L85 PolarHBondContact O-N 2.87Å; N82-Q86 WeakPolarHBondContact O-CB 3.5Å; N82-Q86 PolarHBondContact O-N 3.22Å
83	A	89.3	Confident	83.9	Confident	42 Å²	42	46.2 Å²	46.2	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-41.2	168.6	0	0	0	0	0	111.7	T79 V80 L85 Q86 R87 V102	T79-A83 PolarHBondContact O-N 2.92Å; V80-A83 WeakPolarHBondContact O-CB 3.46Å; V80-A83 PolarHBondContact O-N 2.85Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 2.85Å; A83-Q86 PolarHBondContact O-N 2.98Å; A83-R87 WeakPolarHBondContact O-CB 3.48Å; A83-R87 PolarHBondContact O-N 3.41Å; A83-V102 HydrophobicContact CB-CG1 4.34Å
84	A	90.7	Very high	83.1	Confident	1 Å²	1	49 Å²	49	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-43.1	174.5	0	0	0	0	0	111.9	V80 R81 N82 A88 I98 V102	V80-A84 PolarHBondContact O-N 3.47Å; R81-A84 VanDerWaalsContact O-CB 3.27Å; R81-A84 WeakPolarHBondContact O-CB 3.48Å; R81-A84 PolarHBondContact O-N 3.29Å; N82-A84 VanDerWaalsContact C-N 3.32Å; N82-A84 PolarHBondContact O-N 3.36Å; A84-A88 WeakPolarHBondContact O-CB 3.36Å; A84-A88 PolarHBondContact O-N 3.41Å; A84-I98 HydrophobicContact CB-CG2 4.01Å; A84-I98 WeakPolarHBondContact O-CG2 3.32Å; A84-V102 HydrophobicContact CB-CG1 4.34Å; A84-V102 HydrophobicContact CB-CG2 3.82Å
85	L	87.9	Confident	82.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-69.1	-41	178.5	-65.1	179.1	0	0	0	111.6	R81 N82 A83 A88 E89 A123 I124 R127	R81-L85 HydrophobicContact CG-CD1 4.37Å; R81-L85 WeakPolarHBondContact O-CG 3.34Å; R81-L85 PolarHBondContact O-N 3.33Å; N82-L85 PolarHBondContact O-N 2.87Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 2.85Å; L85-A88 WeakPolarHBondContact O-CB 3.3Å; L85-A88 PolarHBondContact O-N 3Å; L85-E89 WeakPolarHBondContact O-CG 3.13Å; L85-E89 PolarHBondContact O-N 3.45Å; L85-A123 HydrophobicContact CD2-CB 3.87Å; L85-I124 HydrophobicContact CD2-CG1 4.29Å; L85-R127 HydrophobicContact CD2-CB 4.09Å
86	Q	83.1	Confident	82.6	Confident	126 Å²	126	47.8 Å²	47.8	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-45.4	176	-173.7	177.5	0.8	0	0	111.2	N82 A83 A88 E89 T90	N82-Q86 WeakPolarHBondContact O-CB 3.5Å; N82-Q86 PolarHBondContact O-N 3.22Å; A83-Q86 PolarHBondContact O-N 2.98Å; Q86-A88 PolarHBondContact O-N 3.41Å; Q86-E89 WeakPolarHBondContact O-CB 3.44Å; Q86-E89 PolarHBondContact O-N 2.94Å; Q86-T90 PolarHBondContact O-N 3.15Å; Q86-T90 PolarHBondContact O-OG1 3.28Å
87	R	83.1	Confident	82.2	Confident	80 Å²	80	49 Å²	49	30%	0.302	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-36.2	174.9	-170.4	173.1	-179	97.7	-0.7	111.9	A83 E89 T90 T91 D93 I98 E101	A83-R87 WeakPolarHBondContact O-CB 3.48Å; A83-R87 PolarHBondContact O-N 3.41Å; R87-E89 PolarHBondContact O-N 3.17Å; R87-T90 PolarHBondContact O-N 3.31Å; R87-T90 VanDerWaalsContact O-N 3.16Å; R87-T90 PolarHBondContact O-OG1 3.48Å; R87-T91 HydrophobicContact CG-CG2 3.67Å; R87-T91 PolarHBondContact O-N 3.36Å; R87-T91 PolarHBondContact O-OG1 3.33Å; R87-D93 IonicContact CZ-OD2 2.84Å; R87-D93 IonicContact NE-OD2 3Å; R87-D93 PolarHBondContact NE-OD2 3.32Å; R87-D93 VanDerWaalsContact NE-OD2 3.1Å; R87-D93 IonicContact NH2-OD2 2.93Å; R87-D93 PolarHBondContact NH2-OD2 3.41Å; R87-I98 HydrophobicContact CB-CG2 4.24Å; R87-I98 HydrophobicContact CG-CG1 4.35Å; R87-I98 HydrophobicContact CG-CG2 4.48Å; R87-E101 IonicContact CZ-OE1 3.18Å; R87-E101 IonicContact CZ-OE2 2.76Å; R87-E101 IonicContact NE-OE2 3.34Å; R87-E101 PolarHBondContact NE-OE2 3.48Å; R87-E101 IonicContact NH2-OE1 3.01Å; R87-E101 PolarHBondContact NH2-OE1 3.02Å; R87-E101 IonicContact NH2-OE2 2.83Å; R87-E101 PolarHBondContact NH2-OE2 2.83Å
88	A	82.8	Confident	81.9	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-23.8	174.6	0	0	0	0	0	114.1	A84 L85 Q86 I98 I124 R128	A84-A88 WeakPolarHBondContact O-CB 3.36Å; A84-A88 PolarHBondContact O-N 3.41Å; L85-A88 WeakPolarHBondContact O-CB 3.3Å; L85-A88 PolarHBondContact O-N 3Å; Q86-A88 PolarHBondContact O-N 3.41Å; A88-I98 HydrophobicContact CB-CD1 3.94Å; A88-I124 HydrophobicContact CB-CB 4.32Å; A88-I124 HydrophobicContact CB-CG1 4.22Å; A88-I124 HydrophobicContact CB-CG2 3.76Å; A88-R128 HydrophobicContact CB-CG 4.29Å; A88-R128 WeakPolarHBondContact O-CG 3.21Å; A88-R128 PolarHBondContact O-NE 3.29Å
89	E	75.3	Confident	82	Confident	74 Å²	74	48.9 Å²	48.9	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-83.5	-30.1	175.2	-57.4	175.5	176.5	0	0	112.2	L85 Q86 R87 R127 V131	L85-E89 WeakPolarHBondContact O-CG 3.13Å; L85-E89 PolarHBondContact O-N 3.45Å; Q86-E89 WeakPolarHBondContact O-CB 3.44Å; Q86-E89 PolarHBondContact O-N 2.94Å; R87-E89 PolarHBondContact O-N 3.17Å; E89-R127 HydrophobicContact CG-CG 3.73Å; E89-R127 WeakPolarHBondContact OE1-CD 3.22Å; E89-R127 VanDerWaalsContact OE1-CG 3.3Å; E89-R127 WeakPolarHBondContact OE1-CG 3.46Å; E89-R127 IonicContact OE1-CZ 3.83Å; E89-R127 IonicContact OE1-NE 3.92Å; E89-R127 IonicContact OE1-NH1 3.26Å; E89-R127 PolarHBondContact OE1-NH1 3.43Å; E89-V131 HydrophobicContact CB-CG1 4.33Å; E89-V131 HydrophobicContact CB-CG2 4.18Å; E89-V131 HydrophobicContact CG-CB 4.34Å; E89-V131 HydrophobicContact CG-CG2 3.5Å
90	T	72.5	Confident	81.9	Confident	105 Å²	105	50.8 Å²	50.8	64%	0.644	28%	0.279	S	S	*	.	H	α-helix	trans	-104.4	-11.1	-172.2	63	0	0	0	0	114.1	Q86 R87	Q86-T90 PolarHBondContact O-N 3.15Å; Q86-T90 PolarHBondContact O-OG1 3.28Å; R87-T90 PolarHBondContact O-N 3.31Å; R87-T90 VanDerWaalsContact O-N 3.16Å; R87-T90 PolarHBondContact O-OG1 3.48Å
91	T	70	Confident	81.7	Confident	33 Å²	33	53.8 Å²	53.8	20%	0.202	29%	0.291	C	S	.	.			trans	-132.4	157.8	-179	85.4	0	0	0	0	112.5	R87 D93 R128	R87-T91 HydrophobicContact CG-CG2 3.67Å; R87-T91 PolarHBondContact O-N 3.36Å; R87-T91 PolarHBondContact O-OG1 3.33Å; T91-D93 VanDerWaalsContact C-N 3.34Å; T91-D93 WeakPolarHBondContact CB-OD2 3.42Å; T91-D93 WeakPolarHBondContact OG1-CB 3.25Å; T91-D93 VanDerWaalsContact OG1-CG 3.27Å; T91-D93 PolarHBondContact OG1-N 2.99Å; T91-D93 PolarHBondContact OG1-OD2 2.96Å; T91-R128 PolarHBondContact O-NH2 3.33Å
92	M	66.3	Low	81.6	Confident	171 Å²	171	54 Å²	54	84%	0.842	30%	0.295	S	S	*	.			trans	-91.2	4.9	174.6	-67.9	-61.4	-71.5	0	0	113.3
93	D	69.9	Low	81.5	Confident	46 Å²	46	54.2 Å²	54.2	25%	0.246	30%	0.299	C	S	.	.			trans	-54.9	146.4	-175.8	-64.9	-32.4	0	0	0	111.7	R87 T91 V97 I98 R128	R87-D93 IonicContact CZ-OD2 2.84Å; R87-D93 IonicContact NE-OD2 3Å; R87-D93 PolarHBondContact NE-OD2 3.32Å; R87-D93 VanDerWaalsContact NE-OD2 3.1Å; R87-D93 IonicContact NH2-OD2 2.93Å; R87-D93 PolarHBondContact NH2-OD2 3.41Å; T91-D93 VanDerWaalsContact C-N 3.34Å; T91-D93 WeakPolarHBondContact CB-OD2 3.42Å; T91-D93 WeakPolarHBondContact OG1-CB 3.25Å; T91-D93 VanDerWaalsContact OG1-CG 3.27Å; T91-D93 PolarHBondContact OG1-N 2.99Å; T91-D93 PolarHBondContact OG1-OD2 2.96Å; D93-V97 HydrophobicContact CB-CB 4.13Å; D93-V97 HydrophobicContact CB-CG1 3.87Å; D93-I98 HydrophobicContact CB-CD1 4.18Å; D93-I98 HydrophobicContact CB-CG1 3.6Å; D93-R128 PolarHBondContact O-NH1 3.24Å; D93-R128 PolarHBondContact O-NH2 3.1Å
94	T	72.5	Confident	81.4	Confident	80 Å²	80	58.9 Å²	58.9	49%	0.491	32%	0.318	S	S	.	.			trans	-63.3	152.2	176.3	70.6	0	0	0	0	110.1	A96 V97 I98	T94-A96 PolarHBondContact O-N 3.38Å; T94-V97 PolarHBondContact O-N 3.17Å; T94-V97 WeakPolarHBondContact OG1-CG2 3.49Å; T94-V97 PolarHBondContact OG1-N 3.03Å; T94-I98 PolarHBondContact O-N 3.33Å
95	P	84.7	Confident	81.1	Confident	24 Å²	24	62.3 Å²	62.3	16%	0.156	35%	0.354	C	S	.	.	H	α-helix	trans	-53.5	-28.7	175.4	-29.2	36.1	0	0	0	113.7	I99 R121 I124	P95-I99 WeakPolarHBondContact O-CB 3.22Å; P95-I99 WeakPolarHBondContact O-CD1 2.98Å; P95-I99 WeakPolarHBondContact O-CG1 3.41Å; P95-I99 PolarHBondContact O-N 2.85Å; P95-I99 VanDerWaalsContact O-N 3.17Å; P95-R121 HydrophobicContact CB-CB 4.22Å; P95-R121 HydrophobicContact CB-CG 3.82Å; P95-I124 HydrophobicContact CB-CD1 4.24Å; P95-I124 HydrophobicContact CB-CG2 4.06Å; P95-I124 HydrophobicContact CG-CG2 3.91Å
96	A	82.4	Confident	81.1	Confident	41 Å²	41	63.9 Å²	63.9	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-70.1	-44.2	175.2	0	0	0	0	0	112.2	T94 I99 N100	T94-A96 PolarHBondContact O-N 3.38Å; A96-I99 PolarHBondContact O-N 3.44Å; A96-N100 WeakPolarHBondContact O-CB 3.38Å; A96-N100 PolarHBondContact O-N 3.15Å
97	V	79	Confident	81.4	Confident	58 Å²	58	61.6 Å²	61.6	35%	0.352	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-50	176.6	171.2	0	0	0	0	110.3	D93 T94 I99 N100 E101	D93-V97 HydrophobicContact CB-CB 4.13Å; D93-V97 HydrophobicContact CB-CG1 3.87Å; T94-V97 PolarHBondContact O-N 3.17Å; T94-V97 WeakPolarHBondContact OG1-CG2 3.49Å; T94-V97 PolarHBondContact OG1-N 3.03Å; V97-I99 VanDerWaalsContact C-N 3.32Å; V97-I99 PolarHBondContact O-N 3.41Å; V97-N100 PolarHBondContact O-N 3.44Å; V97-N100 VanDerWaalsContact O-N 3.12Å; V97-E101 HydrophobicContact CG1-CG 4.27Å; V97-E101 WeakPolarHBondContact O-CG 3.26Å; V97-E101 PolarHBondContact O-N 2.92Å
98	I	84.5	Confident	81.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-48.8	178.2	-65.9	176.5	0	0	0	111	A84 R87 A88 D93 T94 N100 E101 V102 I124 R128	A84-I98 HydrophobicContact CB-CG2 4.01Å; A84-I98 WeakPolarHBondContact O-CG2 3.32Å; R87-I98 HydrophobicContact CB-CG2 4.24Å; R87-I98 HydrophobicContact CG-CG1 4.35Å; R87-I98 HydrophobicContact CG-CG2 4.48Å; A88-I98 HydrophobicContact CB-CD1 3.94Å; D93-I98 HydrophobicContact CB-CD1 4.18Å; D93-I98 HydrophobicContact CB-CG1 3.6Å; T94-I98 PolarHBondContact O-N 3.33Å; I98-N100 PolarHBondContact O-N 2.98Å; I98-E101 PolarHBondContact O-N 2.72Å; I98-V102 WeakPolarHBondContact O-CG1 3.21Å; I98-V102 WeakPolarHBondContact O-CG2 3.35Å; I98-V102 PolarHBondContact O-N 3.47Å; I98-I124 HydrophobicContact CB-CD1 4.17Å; I98-I124 HydrophobicContact CD1-CG2 4.36Å; I98-I124 HydrophobicContact CG2-CD1 3.89Å; I98-R128 VanDerWaalsContact CD1-NH2 3.34Å
99	I	89.5	Confident	81.9	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-63	-42.9	-179.3	-70.3	166.5	0	0	0	110.8	P95 A96 V97 V102 A103 N117 L120 R121 I124	P95-I99 WeakPolarHBondContact O-CB 3.22Å; P95-I99 WeakPolarHBondContact O-CD1 2.98Å; P95-I99 WeakPolarHBondContact O-CG1 3.41Å; P95-I99 PolarHBondContact O-N 2.85Å; P95-I99 VanDerWaalsContact O-N 3.17Å; A96-I99 PolarHBondContact O-N 3.44Å; V97-I99 VanDerWaalsContact C-N 3.32Å; V97-I99 PolarHBondContact O-N 3.41Å; I99-V102 WeakPolarHBondContact O-CG2 3.45Å; I99-A103 WeakPolarHBondContact O-CB 3.5Å; I99-A103 PolarHBondContact O-N 2.95Å; I99-N117 WeakPolarHBondContact CG2-OD1 3.41Å; I99-L120 HydrophobicContact CD1-CB 3.54Å; I99-L120 HydrophobicContact CD1-CD1 4.42Å; I99-L120 HydrophobicContact CG1-CB 3.93Å; I99-L120 HydrophobicContact CG1-CD1 4.26Å; I99-L120 HydrophobicContact CG2-CD1 4.24Å; I99-R121 HydrophobicContact CD1-CG 3.65Å; I99-I124 HydrophobicContact CD1-CD1 4.19Å; I99-I124 HydrophobicContact CG1-CD1 3.84Å
100	N	86.8	Confident	82.5	Confident	111 Å²	111	63.6 Å²	63.6	59%	0.594	39%	0.387	S	S	*	.	H	α-helix	trans	-66.2	-42.4	-180	-79.1	-15.2	0	0	0	112.2	A96 V97 I98 A103 N104	A96-N100 WeakPolarHBondContact O-CB 3.38Å; A96-N100 PolarHBondContact O-N 3.15Å; V97-N100 PolarHBondContact O-N 3.44Å; V97-N100 VanDerWaalsContact O-N 3.12Å; I98-N100 PolarHBondContact O-N 2.98Å; N100-A103 PolarHBondContact O-N 3.14Å; N100-N104 WeakPolarHBondContact O-CB 3.41Å; N100-N104 PolarHBondContact O-N 3.26Å
101	E	86.6	Confident	83.1	Confident	83 Å²	83	65.3 Å²	65.3	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-48.1	-179.8	-72.2	175.1	127.6	0	0	111.8	R87 V97 I98 A103 N104	R87-E101 IonicContact CZ-OE1 3.18Å; R87-E101 IonicContact CZ-OE2 2.76Å; R87-E101 IonicContact NE-OE2 3.34Å; R87-E101 PolarHBondContact NE-OE2 3.48Å; R87-E101 IonicContact NH2-OE1 3.01Å; R87-E101 PolarHBondContact NH2-OE1 3.02Å; R87-E101 IonicContact NH2-OE2 2.83Å; R87-E101 PolarHBondContact NH2-OE2 2.83Å; V97-E101 HydrophobicContact CG1-CG 4.27Å; V97-E101 WeakPolarHBondContact O-CG 3.26Å; V97-E101 PolarHBondContact O-N 2.92Å; I98-E101 PolarHBondContact O-N 2.72Å; E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.88Å; E101-N104 WeakPolarHBondContact O-CB 3.34Å; E101-N104 PolarHBondContact O-N 3.41Å
102	V	88.8	Confident	84	Confident	28 Å²	28	71.4 Å²	71.4	17%	0.17	41%	0.411	C	S	.	.	H	α-helix	trans	-70	-27.2	178.6	-58.5	0	0	0	0	111.9	V80 A83 A84 I98 I99 N104 I106	V80-V102 HydrophobicContact CG1-CB 4.25Å; V80-V102 HydrophobicContact CG1-CG2 4.02Å; A83-V102 HydrophobicContact CB-CG1 4.34Å; A84-V102 HydrophobicContact CB-CG1 4.34Å; A84-V102 HydrophobicContact CB-CG2 3.82Å; I98-V102 WeakPolarHBondContact O-CG1 3.21Å; I98-V102 WeakPolarHBondContact O-CG2 3.35Å; I98-V102 PolarHBondContact O-N 3.47Å; I99-V102 WeakPolarHBondContact O-CG2 3.45Å; V102-N104 VanDerWaalsContact C-N 3.34Å; V102-I106 VanDerWaalsContact O-CD1 3.25Å; V102-I106 WeakPolarHBondContact O-CD1 3.47Å
103	A	86.1	Confident	85.1	Confident	23 Å²	23	67.5 Å²	67.5	19%	0.19	39%	0.391	C	S	.	.	H	α-helix	trans	-83.5	-9.1	176.6	0	0	0	0	0	114	I99 N100 E101 I106	I99-A103 WeakPolarHBondContact O-CB 3.5Å; I99-A103 PolarHBondContact O-N 2.95Å; N100-A103 PolarHBondContact O-N 3.14Å; E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.88Å; A103-I106 HydrophobicContact CB-CD1 4.42Å; A103-I106 PolarHBondContact O-N 3.22Å
104	N	86.3	Confident	85.9	Confident	140 Å²	140	66.5 Å²	66.5	75%	0.749	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	134.1	-178.5	-164.9	11	0	0	0	110.6	N100 E101 V102 I106	N100-N104 WeakPolarHBondContact O-CB 3.41Å; N100-N104 PolarHBondContact O-N 3.26Å; E101-N104 WeakPolarHBondContact O-CB 3.34Å; E101-N104 PolarHBondContact O-N 3.41Å; V102-N104 VanDerWaalsContact C-N 3.34Å; N104-I106 PolarHBondContact O-N 3.23Å
105	G	85.1	Confident	86.6	Confident	74 Å²	74	64.4 Å²	64.4	76%	0.763	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	4.8	-178.8	0	0	0	0	0	115.6
106	I	87	Confident	86.8	Confident	36 Å²	36	66.8 Å²	66.8	19%	0.185	39%	0.39	C	S	.	.			trans	-75.9	134.2	177.2	-64	-171.9	0	0	0	111.1	V80 V102 A103 N104 V110 M114	V80-I106 HydrophobicContact CB-CD1 3.88Å; V80-I106 HydrophobicContact CG1-CD1 3.36Å; V80-I106 HydrophobicContact CG2-CD1 3.28Å; V80-I106 HydrophobicContact CG2-CG1 4.28Å; V102-I106 VanDerWaalsContact O-CD1 3.25Å; V102-I106 WeakPolarHBondContact O-CD1 3.47Å; A103-I106 HydrophobicContact CB-CD1 4.42Å; A103-I106 PolarHBondContact O-N 3.22Å; N104-I106 PolarHBondContact O-N 3.23Å; I106-V110 HydrophobicContact CG2-CB 3.43Å; I106-V110 VanDerWaalsContact CG2-CB 3.43Å; I106-V110 HydrophobicContact CG2-CG1 3.5Å; I106-V110 HydrophobicContact CG2-CG2 4.31Å; I106-M114 HydrophobicContact CD1-SD 4.07Å
107	P	89.3	Confident	87.1	Confident	78 Å²	78	68.7 Å²	68.7	51%	0.506	40%	0.395	S	S	.	.			trans	-57.5	144.7	172.2	-24	33.7	0	0	0	113.3	S109 V110 K111	P107-S109 PolarHBondContact O-N 3.37Å; P107-S109 VanDerWaalsContact O-N 3.14Å; P107-V110 HydrophobicContact CB-CG2 4.37Å; P107-V110 HydrophobicContact CG-CG2 4.46Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.74Å; P107-K111 PolarHBondContact O-N 3.37Å; P107-K111 VanDerWaalsContact O-N 3.15Å
108	V	88	Confident	87.5	Confident	122 Å²	122	70.2 Å²	70.2	74%	0.739	41%	0.406	S	S	*	.	H	α-helix	trans	-54.7	-38	-178.8	179.4	0	0	0	0	112.3	V110 K111 E112	V108-V110 VanDerWaalsContact C-N 3.28Å; V108-V110 PolarHBondContact O-N 3.28Å; V108-K111 WeakPolarHBondContact O-CB 3.33Å; V108-K111 PolarHBondContact O-N 2.91Å; V108-K111 VanDerWaalsContact O-N 3.14Å; V108-E112 PolarHBondContact O-N 3.36Å
109	S	88.9	Confident	87.8	Confident	68 Å²	68	72.1 Å²	72.1	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-32.2	177.4	54.5	0	0	0	0	113.9	P107	P107-S109 PolarHBondContact O-N 3.37Å; P107-S109 VanDerWaalsContact O-N 3.14Å
110	V	88.7	Confident	87.8	Confident	11 Å²	11	72 Å²	72	7%	0.067	42%	0.422	C	S	.	.	H	α-helix	trans	-78.5	-40.4	175.1	177.1	0	0	0	0	110.1	A76 A77 I106 P107 V108 E112 Q113 M114	A76-V110 HydrophobicContact CB-CB 4.34Å; A76-V110 HydrophobicContact CB-CG1 3.66Å; A76-V110 HydrophobicContact CB-CG2 3.68Å; A77-V110 HydrophobicContact CB-CG1 4.13Å; I106-V110 HydrophobicContact CG2-CB 3.43Å; I106-V110 VanDerWaalsContact CG2-CB 3.43Å; I106-V110 HydrophobicContact CG2-CG1 3.5Å; I106-V110 HydrophobicContact CG2-CG2 4.31Å; P107-V110 HydrophobicContact CB-CG2 4.37Å; P107-V110 HydrophobicContact CG-CG2 4.46Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.74Å; V108-V110 VanDerWaalsContact C-N 3.28Å; V108-V110 PolarHBondContact O-N 3.28Å; V110-E112 VanDerWaalsContact C-N 3.25Å; V110-E112 PolarHBondContact O-N 3.29Å; V110-Q113 PolarHBondContact O-N 2.81Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.1Å
111	K	85.4	Confident	88	Confident	140 Å²	140	71.7 Å²	71.7	61%	0.609	41%	0.412	S	S	*	.	H	α-helix	trans	-61.2	-34.6	179.2	-167.7	175.1	-178.5	176.4	0	112.2	P107 V108 Q113 M114	P107-K111 PolarHBondContact O-N 3.37Å; P107-K111 VanDerWaalsContact O-N 3.15Å; V108-K111 WeakPolarHBondContact O-CB 3.33Å; V108-K111 PolarHBondContact O-N 2.91Å; V108-K111 VanDerWaalsContact O-N 3.14Å; K111-Q113 VanDerWaalsContact C-N 3.3Å; K111-Q113 PolarHBondContact O-N 3.3Å; K111-M114 WeakPolarHBondContact O-CB 3.41Å; K111-M114 PolarHBondContact O-N 3.41Å
112	E	87.6	Confident	88.1	Confident	162 Å²	162	72.6 Å²	72.6	76%	0.757	42%	0.417	S	S	*	.	H	α-helix	trans	-63.3	-34	174.4	-169.6	179.1	177.7	0	0	112.8	V108 V110	V108-E112 PolarHBondContact O-N 3.36Å; V110-E112 VanDerWaalsContact C-N 3.25Å; V110-E112 PolarHBondContact O-N 3.29Å
113	Q	89.3	Confident	88.1	Confident	89 Å²	89	72.1 Å²	72.1	42%	0.416	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6	178.3	-65.3	-70	-12.7	0	0	113.4	A73 A77 V110 K111	A73-Q113 HydrophobicContact CB-CG 4.09Å; A77-Q113 HydrophobicContact CB-CB 3.91Å; V110-Q113 PolarHBondContact O-N 2.81Å; K111-Q113 VanDerWaalsContact C-N 3.3Å; K111-Q113 PolarHBondContact O-N 3.3Å
114	M	87.7	Confident	88.1	Confident	25 Å²	25	71.1 Å²	71.1	12%	0.123	41%	0.407	C	S	.	.	S	Bend	trans	-72.2	147.2	-179.9	-74.6	-178.5	65.5	0	0	111.6	A77 V80 I106 V110 K111 L120	A77-M114 HydrophobicContact CB-CG 3.93Å; V80-M114 HydrophobicContact CB-CE 4.49Å; V80-M114 HydrophobicContact CG1-CE 3.52Å; V80-M114 HydrophobicContact CG1-SD 3.94Å; I106-M114 HydrophobicContact CD1-SD 4.07Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.1Å; K111-M114 WeakPolarHBondContact O-CB 3.41Å; K111-M114 PolarHBondContact O-N 3.41Å; M114-L120 HydrophobicContact CE-CD1 3.76Å
115	P	86.2	Confident	88	Confident	36 Å²	36	72.8 Å²	72.8	23%	0.234	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-57	147.6	166.8	-16.2	27.9	0	0	0	110.1	L9 A119 L120	L9-P115 HydrophobicContact CD2-CG 4.34Å; P115-A119 HydrophobicContact CB-CB 4.01Å; P115-L120 HydrophobicContact CB-CD2 4.38Å; P115-L120 HydrophobicContact CB-CG 4.23Å; P115-L120 HydrophobicContact CG-CD2 4.24Å
116	S	89.8	Confident	88	Confident	73 Å²	73	77 Å²	77	51%	0.51	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-53	151.8	176.3	69.7	0	0	0	0	112	C118 A119 L120	S116-C118 PolarHBondContact O-N 3.04Å; S116-C118 VanDerWaalsContact O-N 3.08Å; S116-A119 WeakPolarHBondContact O-CA 3.36Å; S116-A119 WeakPolarHBondContact O-CB 3.36Å; S116-A119 PolarHBondContact O-N 3.31Å; S116-A119 PolarHBondContact OG-N 3.34Å; S116-L120 PolarHBondContact O-N 3.38Å
117	N	87.9	Confident	87.8	Confident	82 Å²	82	77 Å²	77	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-53.3	-33.9	175.5	-75.8	-16.3	0	0	0	112.2	I99 R121	I99-N117 WeakPolarHBondContact CG2-OD1 3.41Å; N117-R121 WeakPolarHBondContact O-CB 3.43Å; N117-R121 WeakPolarHBondContact O-CG 3.38Å; N117-R121 PolarHBondContact O-N 3.35Å
118	C	88.7	Confident	87.2	Confident	89 Å²	89	75.4 Å²	75.4	60%	0.601	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-49.3	173.9	-172.4	0	0	0	0	111.9	S116 L120 R121 Q122	S116-C118 PolarHBondContact O-N 3.04Å; S116-C118 VanDerWaalsContact O-N 3.08Å; C118-L120 PolarHBondContact O-N 3.17Å; C118-R121 PolarHBondContact O-N 3.23Å; C118-Q122 PolarHBondContact O-N 3.11Å
119	A	89.7	Confident	86.5	Confident	40 Å²	40	77.3 Å²	77.3	33%	0.331	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178.5	0	0	0	0	0	112.1	P115 S116 Q122 A123	P115-A119 HydrophobicContact CB-CB 4.01Å; S116-A119 WeakPolarHBondContact O-CA 3.36Å; S116-A119 WeakPolarHBondContact O-CB 3.36Å; S116-A119 PolarHBondContact O-N 3.31Å; S116-A119 PolarHBondContact OG-N 3.34Å; A119-Q122 PolarHBondContact O-N 3.29Å; A119-A123 WeakPolarHBondContact O-CB 3.35Å; A119-A123 PolarHBondContact O-N 2.84Å
120	L	89.9	Confident	85.6	Confident	2 Å²	2	77 Å²	77	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-63.2	-46.7	175.4	-73.2	172.2	0	0	0	111.7	R81 I99 M114 P115 S116 C118 Q122 A123 I124	R81-L120 HydrophobicContact CB-CD2 4.19Å; R81-L120 HydrophobicContact CG-CD2 3.87Å; I99-L120 HydrophobicContact CD1-CB 3.54Å; I99-L120 HydrophobicContact CD1-CD1 4.42Å; I99-L120 HydrophobicContact CG1-CB 3.93Å; I99-L120 HydrophobicContact CG1-CD1 4.26Å; I99-L120 HydrophobicContact CG2-CD1 4.24Å; M114-L120 HydrophobicContact CE-CD1 3.76Å; P115-L120 HydrophobicContact CB-CD2 4.38Å; P115-L120 HydrophobicContact CB-CG 4.23Å; P115-L120 HydrophobicContact CG-CD2 4.24Å; S116-L120 PolarHBondContact O-N 3.38Å; C118-L120 PolarHBondContact O-N 3.17Å; L120-Q122 VanDerWaalsContact C-N 3.29Å; L120-Q122 PolarHBondContact O-N 3.4Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-A123 VanDerWaalsContact O-N 3.16Å; L120-I124 WeakPolarHBondContact O-CB 3.49Å; L120-I124 WeakPolarHBondContact O-CG1 3.33Å; L120-I124 PolarHBondContact O-N 3.25Å
121	R	90.4	Very high	84.4	Confident	105 Å²	105	80.1 Å²	80.1	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-41	176	-70.6	177.8	-165.1	129.4	-0.5	111.8	P95 I99 N117 C118 R125	P95-R121 HydrophobicContact CB-CB 4.22Å; P95-R121 HydrophobicContact CB-CG 3.82Å; I99-R121 HydrophobicContact CD1-CG 3.65Å; N117-R121 WeakPolarHBondContact O-CB 3.43Å; N117-R121 WeakPolarHBondContact O-CG 3.38Å; N117-R121 PolarHBondContact O-N 3.35Å; C118-R121 PolarHBondContact O-N 3.23Å; R121-R125 WeakPolarHBondContact O-CG 3.37Å; R121-R125 PolarHBondContact O-N 2.93Å
122	Q	89.2	Confident	83.1	Confident	102 Å²	102	79.5 Å²	79.5	48%	0.477	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-40.8	177.4	-165.4	-179.9	32.2	0	0	111.8	C118 A119 L120 R125 R126	C118-Q122 PolarHBondContact O-N 3.11Å; A119-Q122 PolarHBondContact O-N 3.29Å; L120-Q122 VanDerWaalsContact C-N 3.29Å; L120-Q122 PolarHBondContact O-N 3.4Å; Q122-R125 PolarHBondContact O-N 3.15Å; Q122-R126 VanDerWaalsContact CD-NH2 3.33Å; Q122-R126 WeakPolarHBondContact O-CB 3.44Å; Q122-R126 WeakPolarHBondContact O-CG 3.35Å; Q122-R126 PolarHBondContact O-N 3.37Å
123	A	88.4	Confident	81.5	Confident	18 Å²	18	75 Å²	75	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-43	177	0	0	0	0	0	111.9	L85 A119 L120 R126 R127	L85-A123 HydrophobicContact CD2-CB 3.87Å; A119-A123 WeakPolarHBondContact O-CB 3.35Å; A119-A123 PolarHBondContact O-N 2.84Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-A123 VanDerWaalsContact O-N 3.16Å; A123-R126 PolarHBondContact O-N 3.23Å; A123-R127 WeakPolarHBondContact O-CB 3.42Å; A123-R127 PolarHBondContact O-N 3.37Å
124	I	87.2	Confident	80	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-57.5	-50.7	173.8	-73.6	167.8	0	0	0	110.6	L85 A88 P95 I98 I99 L120 R126 R127 R128	L85-I124 HydrophobicContact CD2-CG1 4.29Å; A88-I124 HydrophobicContact CB-CB 4.32Å; A88-I124 HydrophobicContact CB-CG1 4.22Å; A88-I124 HydrophobicContact CB-CG2 3.76Å; P95-I124 HydrophobicContact CB-CD1 4.24Å; P95-I124 HydrophobicContact CB-CG2 4.06Å; P95-I124 HydrophobicContact CG-CG2 3.91Å; I98-I124 HydrophobicContact CB-CD1 4.17Å; I98-I124 HydrophobicContact CD1-CG2 4.36Å; I98-I124 HydrophobicContact CG2-CD1 3.89Å; I99-I124 HydrophobicContact CD1-CD1 4.19Å; I99-I124 HydrophobicContact CG1-CD1 3.84Å; L120-I124 WeakPolarHBondContact O-CB 3.49Å; L120-I124 WeakPolarHBondContact O-CG1 3.33Å; L120-I124 PolarHBondContact O-N 3.25Å; I124-R126 PolarHBondContact O-N 2.91Å; I124-R127 PolarHBondContact O-N 2.9Å; I124-R127 VanDerWaalsContact O-N 3.15Å; I124-R128 PolarHBondContact O-N 2.9Å
125	R	84.5	Confident	78.6	Confident	176 Å²	176	73.7 Å²	73.7	66%	0.664	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-43.7	178.3	-73.8	175.6	-179.8	-177.7	-0.5	112.4	R121 Q122 R127 K129	R121-R125 WeakPolarHBondContact O-CG 3.37Å; R121-R125 PolarHBondContact O-N 2.93Å; Q122-R125 PolarHBondContact O-N 3.15Å; R125-R127 VanDerWaalsContact C-N 3.32Å; R125-K129 WeakPolarHBondContact O-CB 3.3Å; R125-K129 PolarHBondContact O-N 3.44Å; R125-K129 VanDerWaalsContact O-N 3.07Å
126	R	85.2	Confident	77.3	Confident	161 Å²	161	77.7 Å²	77.7	61%	0.608	42%	0.417	S	S	*	.	H	α-helix	trans	-64.3	-38	176.5	-74	177.1	-173.9	177.3	5	111.6	Q122 A123 I124 A130	Q122-R126 VanDerWaalsContact CD-NH2 3.33Å; Q122-R126 WeakPolarHBondContact O-CB 3.44Å; Q122-R126 WeakPolarHBondContact O-CG 3.35Å; Q122-R126 PolarHBondContact O-N 3.37Å; A123-R126 PolarHBondContact O-N 3.23Å; I124-R126 PolarHBondContact O-N 2.91Å; R126-A130 WeakPolarHBondContact O-CB 3.24Å; R126-A130 PolarHBondContact O-N 3.11Å
127	R	82	Confident	75.9	Confident	38 Å²	38	78.6 Å²	78.6	14%	0.143	41%	0.414	C	S	.	.	H	α-helix	trans	-69.6	-46.5	179.6	-174.1	61	70.2	93.4	4.7	111.7	N11 L85 E89 A123 I124 R125 K129 A130 V131	N11-R127 PolarHBondContact OD1-NH2 3.48Å; L85-R127 HydrophobicContact CD2-CB 4.09Å; E89-R127 HydrophobicContact CG-CG 3.73Å; E89-R127 WeakPolarHBondContact OE1-CD 3.22Å; E89-R127 VanDerWaalsContact OE1-CG 3.3Å; E89-R127 WeakPolarHBondContact OE1-CG 3.46Å; E89-R127 IonicContact OE1-CZ 3.83Å; E89-R127 IonicContact OE1-NE 3.92Å; E89-R127 IonicContact OE1-NH1 3.26Å; E89-R127 PolarHBondContact OE1-NH1 3.43Å; A123-R127 WeakPolarHBondContact O-CB 3.42Å; A123-R127 PolarHBondContact O-N 3.37Å; I124-R127 PolarHBondContact O-N 2.9Å; I124-R127 VanDerWaalsContact O-N 3.15Å; R125-R127 VanDerWaalsContact C-N 3.32Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.47Å; R127-A130 CarbonylContact O-C 3.53Å; R127-A130 WeakPolarHBondContact O-CA 3.3Å; R127-A130 WeakPolarHBondContact O-CB 3.26Å; R127-A130 PolarHBondContact O-N 2.82Å; R127-V131 HydrophobicContact CG-CG2 4.38Å; R127-V131 PolarHBondContact O-N 3.47Å
128	R	76.5	Confident	74.7	Confident	43 Å²	43	75.5 Å²	75.5	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-53	-51	172.7	-79.7	-173.8	171.2	165.2	1.6	111.5	A88 T91 D93 I98 I124 A130 V131 E132	A88-R128 HydrophobicContact CB-CG 4.29Å; A88-R128 WeakPolarHBondContact O-CG 3.21Å; A88-R128 PolarHBondContact O-NE 3.29Å; T91-R128 PolarHBondContact O-NH2 3.33Å; D93-R128 PolarHBondContact O-NH1 3.24Å; D93-R128 PolarHBondContact O-NH2 3.1Å; I98-R128 VanDerWaalsContact CD1-NH2 3.34Å; I124-R128 PolarHBondContact O-N 2.9Å; R128-A130 PolarHBondContact O-N 3.36Å; R128-A130 VanDerWaalsContact O-N 3.14Å; R128-V131 PolarHBondContact O-N 3.04Å; R128-E132 VanDerWaalsContact O-CB 3.26Å; R128-E132 WeakPolarHBondContact O-CB 3.4Å; R128-E132 VanDerWaalsContact O-CG 3.3Å; R128-E132 WeakPolarHBondContact O-CG 3.18Å; R128-E132 PolarHBondContact O-N 3.05Å
129	K	73.2	Confident	73.6	Confident	162 Å²	162	78.5 Å²	78.5	70%	0.704	41%	0.414	S	S	*	.	H	α-helix	trans	-59.7	-28.9	176.6	-168.3	174.4	-177	178	0	114.2	R125 R127	R125-K129 WeakPolarHBondContact O-CB 3.3Å; R125-K129 PolarHBondContact O-N 3.44Å; R125-K129 VanDerWaalsContact O-N 3.07Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.47Å
130	A	71	Confident	72.7	Confident	61 Å²	61	77.9 Å²	77.9	50%	0.504	41%	0.412	S	S	.	.	H	α-helix	trans	-84	-27.4	177.6	0	0	0	0	0	113	R126 R127 R128 A133	R126-A130 WeakPolarHBondContact O-CB 3.24Å; R126-A130 PolarHBondContact O-N 3.11Å; R127-A130 CarbonylContact O-C 3.53Å; R127-A130 WeakPolarHBondContact O-CA 3.3Å; R127-A130 WeakPolarHBondContact O-CB 3.26Å; R127-A130 PolarHBondContact O-N 2.82Å; R128-A130 PolarHBondContact O-N 3.36Å; R128-A130 VanDerWaalsContact O-N 3.14Å; A130-A133 WeakPolarHBondContact O-CB 3.49Å; A130-A133 PolarHBondContact O-N 3.22Å
131	V	62.8	Low	72.2	Confident	78 Å²	78	78.8 Å²	78.8	47%	0.473	42%	0.417	S	S	.	.	H	α-helix	trans	-84.9	-34.4	174.5	171.5	0	0	0	0	111.6	E89 R127 R128 A133	E89-V131 HydrophobicContact CB-CG1 4.33Å; E89-V131 HydrophobicContact CB-CG2 4.18Å; E89-V131 HydrophobicContact CG-CB 4.34Å; E89-V131 HydrophobicContact CG-CG2 3.5Å; R127-V131 HydrophobicContact CG-CG2 4.38Å; R127-V131 PolarHBondContact O-N 3.47Å; R128-V131 PolarHBondContact O-N 3.04Å; V131-A133 PolarHBondContact O-N 3.01Å
132	E	57.5	Low	71.6	Confident	126 Å²	126	75.2 Å²	75.2	59%	0.589	41%	0.41	S	S	*	.	S	Bend	trans	-65.6	21.4	155.9	-64.5	168.5	-173.8	0	0	111.7	R128 A134	R128-E132 VanDerWaalsContact O-CB 3.26Å; R128-E132 WeakPolarHBondContact O-CB 3.4Å; R128-E132 VanDerWaalsContact O-CG 3.3Å; R128-E132 WeakPolarHBondContact O-CG 3.18Å; R128-E132 PolarHBondContact O-N 3.05Å; E132-A134 PolarHBondContact O-N 3.39Å
133	A	54	Low	71.1	Confident	68 Å²	68	73.2 Å²	73.2	56%	0.562	41%	0.407	S	S	*	.			trans	-42.1	122.6	173.5	0	0	0	0	0	108	A130 V131	A130-A133 WeakPolarHBondContact O-CB 3.49Å; A130-A133 PolarHBondContact O-N 3.22Å; V131-A133 PolarHBondContact O-N 3.01Å
134	A	57.5	Low	70.5	Confident	49 Å²	49	72.3 Å²	72.3	41%	0.405	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-49.4	138.3	-177.9	0	0	0	0	0	108.4	E132 W403	E132-A134 PolarHBondContact O-N 3.39Å; A134-W403 HydrophobicContact CB-CB 3.78Å; A134-W403 HydrophobicContact CB-CG 3.6Å
135	P	59.2	Low	70.4	Confident	37 Å²	37	76.9 Å²	76.9	24%	0.24	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-49.2	154.6	-176.6	-19.8	22.9	0	0	0	111.2	M137 P147 W403	P135-M137 PolarHBondContact O-N 2.85Å; P135-P147 HydrophobicContact CB-CG 4.46Å; P135-P147 HydrophobicContact CG-CG 3.27Å; P135-W403 HydrophobicContact CB-CH2 4.32Å; P135-W403 HydrophobicContact CB-CZ2 3.6Å; P135-W403 HydrophobicContact CG-CD2 4.28Å; P135-W403 HydrophobicContact CG-CH2 3.96Å; P135-W403 HydrophobicContact CG-CZ2 3.6Å; P135-W403 HydrophobicContact CG-CZ3 4.4Å; P135-W403 PolarHBondContact O-NE1 3.31Å
136	P	58.6	Low	70.5	Confident	120 Å²	120	68.8 Å²	68.8	78%	0.779	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-48.6	143	174.6	22.1	-33.2	0	0	0	110.3
137	M	60.5	Low	70.5	Confident	92 Å²	92	62.9 Å²	62.9	45%	0.453	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-59.1	131	-179.5	-159.5	67.4	71.5	0	0	109	P135 T401	P135-M137 PolarHBondContact O-N 2.85Å; M137-T401 VanDerWaalsContact CE-CB 3.42Å; M137-T401 HydrophobicContact CE-CG2 3.21Å; M137-T401 HydrophobicContact SD-CG2 4.37Å
138	P	62.7	Low	70.7	Confident	18 Å²	18	68.8 Å²	68.8	12%	0.117	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.4	171.8	24.8	-31.8	0	0	0	110.1	G140 V144 E202 I402	P138-G140 VanDerWaalsContact C-N 3.27Å; P138-V144 HydrophobicContact CB-CB 4.02Å; P138-V144 HydrophobicContact CB-CG1 4.42Å; P138-V144 HydrophobicContact CB-CG2 3.45Å; P138-V144 VanDerWaalsContact CB-CG2 3.45Å; P138-V144 HydrophobicContact CG-CB 4.15Å; P138-V144 HydrophobicContact CG-CG1 4.09Å; P138-V144 HydrophobicContact CG-CG2 3.48Å; P138-V144 VanDerWaalsContact CG-CG2 3.48Å; P138-E202 HydrophobicContact CG-CG 4.24Å; P138-I402 HydrophobicContact CG-CG2 4.42Å
139	V	66.4	Low	71	Confident	151 Å²	151	72.4 Å²	72.4	92%	0.915	43%	0.429	S	S	*	.	S	Bend	trans	-75.9	-23.7	179.9	-176.2	0	0	0	0	110.8	S143	V139-S143 PolarHBondContact N-OG 3Å
140	G	71.1	Confident	71.7	Confident	28 Å²	28	66.3 Å²	66.3	29%	0.289	40%	0.402	S	S	.	.	S	Bend	trans	-170	168.4	175.2	0	0	0	0	0	112.6	P138 A142 S143	P138-G140 VanDerWaalsContact C-N 3.27Å; G140-A142 VanDerWaalsContact C-N 3.32Å; G140-A142 PolarHBondContact O-N 3.01Å; G140-S143 PolarHBondContact N-OG 2.92Å; G140-S143 PolarHBondContact O-N 2.83Å; G140-S143 PolarHBondContact O-OG 2.77Å
141	V	77.5	Confident	72.8	Confident	20 Å²	20	67 Å²	67	12%	0.121	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-47.9	-47.1	-172.8	177.1	0	0	0	0	113.7	S143 V144 R171 E202 F203	V141-S143 PolarHBondContact O-N 3.18Å; V141-V144 VanDerWaalsContact O-CG2 3.28Å; V141-V144 WeakPolarHBondContact O-CG2 3.41Å; V141-V144 PolarHBondContact O-N 2.74Å; V141-R171 HydrophobicContact CG1-CB 3.31Å; V141-R171 WeakPolarHBondContact O-CD 2.69Å; V141-R171 PolarHBondContact O-NH1 2.9Å; V141-E202 HydrophobicContact CG2-CB 3.83Å; V141-E202 WeakPolarHBondContact CG2-O 3.41Å; V141-F203 HydrophobicContact CG1-CE1 3.89Å; V141-F203 HydrophobicContact CG1-CZ 4.16Å
142	A	78.8	Confident	74.2	Confident	30 Å²	30	64.9 Å²	64.9	25%	0.248	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-65.6	-23.2	-177.5	0	0	0	0	0	113.8	G140 G167 D168	G140-A142 VanDerWaalsContact C-N 3.32Å; G140-A142 PolarHBondContact O-N 3.01Å; A142-G167 PolarHBondContact O-N 3.17Å; A142-D168 WeakPolarHBondContact CA-O 3.42Å; A142-D168 WeakPolarHBondContact CB-O 3.25Å
143	S	77.9	Confident	75.8	Confident	60 Å²	60	60.1 Å²	60.1	42%	0.42	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-94.8	-5.5	-174.2	68.9	0	0	0	0	114.6	V139 G140 V141 V145	V139-S143 PolarHBondContact N-OG 3Å; G140-S143 PolarHBondContact N-OG 2.92Å; G140-S143 PolarHBondContact O-N 2.83Å; G140-S143 PolarHBondContact O-OG 2.77Å; V141-S143 PolarHBondContact O-N 3.18Å; S143-V145 PolarHBondContact O-N 2.96Å; S143-V145 VanDerWaalsContact O-N 3.08Å
144	V	76.7	Confident	77.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.361	C	S	.	.			trans	-69.3	104.3	-171.2	-177.9	0	0	0	0	111.4	P138 V141 I146 L166 R171 I402	P138-V144 HydrophobicContact CB-CB 4.02Å; P138-V144 HydrophobicContact CB-CG1 4.42Å; P138-V144 HydrophobicContact CB-CG2 3.45Å; P138-V144 VanDerWaalsContact CB-CG2 3.45Å; P138-V144 HydrophobicContact CG-CB 4.15Å; P138-V144 HydrophobicContact CG-CG1 4.09Å; P138-V144 HydrophobicContact CG-CG2 3.48Å; P138-V144 VanDerWaalsContact CG-CG2 3.48Å; V141-V144 VanDerWaalsContact O-CG2 3.28Å; V141-V144 WeakPolarHBondContact O-CG2 3.41Å; V141-V144 PolarHBondContact O-N 2.74Å; V144-I146 HydrophobicContact CG1-CD1 3.49Å; V144-I146 VanDerWaalsContact CG1-CD1 3.49Å; V144-I146 HydrophobicContact CG1-CG1 4.33Å; V144-I146 PolarHBondContact O-N 3.42Å; V144-L166 WeakPolarHBondContact O-CD2 3.41Å; V144-R171 PolarHBondContact O-NH1 3.26Å; V144-R171 PolarHBondContact O-NH2 3.35Å; V144-I402 HydrophobicContact CG1-CD1 3.53Å
145	V	84	Confident	78	Confident	96 Å²	96	65.2 Å²	65.2	58%	0.582	38%	0.384	S	S	*	.			trans	-87.8	110.3	170.2	-177.1	0	0	0	0	108.7	S143 P147 L166 W403	S143-V145 PolarHBondContact O-N 2.96Å; S143-V145 VanDerWaalsContact O-N 3.08Å; V145-P147 VanDerWaalsContact O-CD 3.24Å; V145-P147 WeakPolarHBondContact O-CD 3.39Å; V145-L166 HydrophobicContact CG2-CD1 4.1Å; V145-L166 HydrophobicContact CG2-CD2 3.77Å; V145-W403 WeakPolarHBondContact O-CH2 3.45Å
146	I	86.7	Confident	79.1	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.031	41%	0.412	C	S	.	.			trans	-76.8	113.2	175.7	-51.6	-63.8	0	0	0	108.6	V144 Q151 L160 L173 I402 W403 I406	V144-I146 HydrophobicContact CG1-CD1 3.49Å; V144-I146 VanDerWaalsContact CG1-CD1 3.49Å; V144-I146 HydrophobicContact CG1-CG1 4.33Å; V144-I146 PolarHBondContact O-N 3.42Å; I146-Q151 HydrophobicContact CB-CG 4.34Å; I146-Q151 HydrophobicContact CG2-CG 3.75Å; I146-Q151 PolarHBondContact O-NE2 2.83Å; I146-L160 HydrophobicContact CB-CD2 4.3Å; I146-L160 HydrophobicContact CG1-CD2 4.37Å; I146-L160 HydrophobicContact CG2-CD2 4.27Å; I146-L173 HydrophobicContact CD1-CD1 3.9Å; I146-L173 HydrophobicContact CG1-CD1 4.25Å; I146-I402 HydrophobicContact CD1-CD1 3.54Å; I146-W403 HydrophobicContact CD1-CH2 4.45Å; I146-W403 HydrophobicContact CD1-CZ3 4.18Å; I146-I406 HydrophobicContact CD1-CD1 4.22Å; I146-I406 HydrophobicContact CG2-CD1 4.26Å
147	P	85.7	Confident	80.7	Confident	38 Å²	38	68 Å²	68	25%	0.247	38%	0.384	C	S	.	.			trans	-63.4	152.7	178	-15.4	27.6	0	0	0	110.9	P135 V145 D149 Y150 Q151 W403	P135-P147 HydrophobicContact CB-CG 4.46Å; P135-P147 HydrophobicContact CG-CG 3.27Å; V145-P147 VanDerWaalsContact O-CD 3.24Å; V145-P147 WeakPolarHBondContact O-CD 3.39Å; P147-D149 PolarHBondContact O-N 3.26Å; P147-D149 VanDerWaalsContact O-N 3.12Å; P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CG-CD2 3.72Å; P147-Y150 HydrophobicContact CG-CE2 4.19Å; P147-Y150 WeakPolarHBondContact O-CA 3.46Å; P147-Y150 WeakPolarHBondContact O-CB 3.39Å; P147-Y150 PolarHBondContact O-N 2.77Å; P147-Q151 WeakPolarHBondContact O-CG 3.44Å; P147-Q151 PolarHBondContact O-N 3.4Å; P147-W403 VanDerWaalsContact CD-CH2 3.45Å; P147-W403 HydrophobicContact CG-CH2 4.25Å; P147-W403 HydrophobicContact CG-CZ3 4.17Å
148	K	85.9	Confident	82.4	Confident	162 Å²	162	69.6 Å²	69.6	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-50.8	-40.2	-179.3	-170	178.1	-179.8	-178.2	0	112.7	Y150 Q151	K148-Y150 PolarHBondContact O-N 3.45Å; K148-Y150 VanDerWaalsContact O-N 3.15Å; K148-Q151 WeakPolarHBondContact O-CB 3.44Å; K148-Q151 PolarHBondContact O-N 3.08Å
149	D	83.7	Confident	84.1	Confident	119 Å²	119	68.7 Å²	68.7	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-66.8	-13.7	179.7	-61.2	-13.9	0	0	0	113.9	P147 R410	P147-D149 PolarHBondContact O-N 3.26Å; P147-D149 VanDerWaalsContact O-N 3.12Å; D149-R410 VanDerWaalsContact O-CZ 3.23Å; D149-R410 PolarHBondContact O-NH1 2.93Å; D149-R410 PolarHBondContact O-NH2 2.92Å
150	Y	87.8	Confident	85.5	Confident	33 Å²	33	61.9 Å²	61.9	13%	0.129	34%	0.337	C	S	.	.	H	α-helix	trans	-99.8	-5.7	172.3	-71.4	-84.7	0	0	0	112.7	P147 K148 W403 I406 E407 R410	P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CG-CD2 3.72Å; P147-Y150 HydrophobicContact CG-CE2 4.19Å; P147-Y150 WeakPolarHBondContact O-CA 3.46Å; P147-Y150 WeakPolarHBondContact O-CB 3.39Å; P147-Y150 PolarHBondContact O-N 2.77Å; K148-Y150 PolarHBondContact O-N 3.45Å; K148-Y150 VanDerWaalsContact O-N 3.15Å; Y150-W403 AromaticContact CD1-CE3 3.96Å; Y150-W403 HydrophobicContact CD1-CE3 3.96Å; Y150-W403 AromaticContact CD2-CE3 3.85Å; Y150-W403 HydrophobicContact CD2-CE3 3.85Å; Y150-W403 HydrophobicContact CD2-CZ3 4.13Å; Y150-W403 HydrophobicContact CE1-CB 3.86Å; Y150-W403 AromaticContact CE1-CE3 3.99Å; Y150-W403 HydrophobicContact CE1-CE3 3.99Å; Y150-W403 HydrophobicContact CE2-CD2 4.43Å; Y150-W403 AromaticContact CE2-CE3 3.9Å; Y150-W403 HydrophobicContact CE2-CE3 3.9Å; Y150-W403 AromaticContact CG-CE3 3.88Å; Y150-W403 HydrophobicContact CG-CE3 3.88Å; Y150-W403 HydrophobicContact CG-CZ3 4.21Å; Y150-W403 AromaticContact CZ-CE3 3.96Å; Y150-I406 HydrophobicContact CD1-CB 3.92Å; Y150-I406 HydrophobicContact CD1-CD1 4.12Å; Y150-I406 HydrophobicContact CD1-CG2 3.79Å; Y150-I406 HydrophobicContact CG-CD1 4.35Å; Y150-I406 HydrophobicContact CG-CG2 4.49Å; Y150-E407 HydrophobicContact CE1-CG 4.11Å; Y150-R410 PolarHBondContact O-NH2 3.01Å
151	Q	93.4	Very high	86.8	Confident	75 Å²	75	61 Å²	61	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-93.6	-10.2	179.4	-58.3	-176.7	25	0	0	113.5	I146 P147 K148 F159 L160	I146-Q151 HydrophobicContact CB-CG 4.34Å; I146-Q151 HydrophobicContact CG2-CG 3.75Å; I146-Q151 PolarHBondContact O-NE2 2.83Å; P147-Q151 WeakPolarHBondContact O-CG 3.44Å; P147-Q151 PolarHBondContact O-N 3.4Å; K148-Q151 WeakPolarHBondContact O-CB 3.44Å; K148-Q151 PolarHBondContact O-N 3.08Å; Q151-F159 CarbonylContact O-C 3.56Å; Q151-F159 WeakPolarHBondContact O-CA 3.46Å; Q151-F159 WeakPolarHBondContact O-CB 3.38Å; Q151-F159 PolarHBondContact O-N 2.83Å; Q151-L160 HydrophobicContact CB-CB 4.02Å; Q151-L160 HydrophobicContact CB-CD2 4.49Å; Q151-L160 HydrophobicContact CG-CB 4.23Å; Q151-L160 HydrophobicContact CG-CD2 3.8Å; Q151-L160 PolarHBondContact O-N 3.37Å
152	T	93.2	Very high	87.7	Confident	34 Å²	34	62.8 Å²	62.8	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	169.6	-174.7	54	0	0	0	0	113.9	E157 F159 R410	T152-E157 CarbonylContact C-O 3.6Å; T152-E157 VanDerWaalsContact C-O 3.28Å; T152-E157 WeakPolarHBondContact CA-O 3.44Å; T152-E157 WeakPolarHBondContact CB-O 3.36Å; T152-F159 VanDerWaalsContact O-CB 3.25Å; T152-F159 WeakPolarHBondContact O-CB 3.16Å; T152-R410 PolarHBondContact O-NE 3.31Å; T152-R410 PolarHBondContact O-NH2 3.5Å
153	Y	91.5	Very high	88.6	Confident	27 Å²	27	63.8 Å²	63.8	11%	0.106	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.3	170.4	-176.7	-102	0	0	0	108.1	E157 F159 R177 R410 Q413 T414 D417	Y153-E157 PolarHBondContact N-O 2.9Å; Y153-E157 VanDerWaalsContact O-CB 3.28Å; Y153-E157 WeakPolarHBondContact O-CB 3.02Å; Y153-E157 PolarHBondContact O-N 3.47Å; Y153-F159 HydrophobicContact CD2-CD2 4.18Å; Y153-F159 HydrophobicContact CD2-CE2 4.25Å; Y153-F159 HydrophobicContact CG-CD2 4.23Å; Y153-R177 HydrophobicContact CD1-CG 3.87Å; Y153-R177 HydrophobicContact CE1-CG 4.18Å; Y153-R177 HydrophobicContact CG-CG 4.17Å; Y153-R410 HydrophobicContact CD2-CB 4.49Å; Y153-R410 HydrophobicContact CD2-CG 4.19Å; Y153-R410 HydrophobicContact CE2-CB 4.43Å; Y153-Q413 HydrophobicContact CD2-CG 4.29Å; Y153-Q413 HydrophobicContact CE1-CG 4.38Å; Y153-Q413 HydrophobicContact CE2-CB 3.87Å; Y153-Q413 HydrophobicContact CE2-CG 3.73Å; Y153-T414 WeakPolarHBondContact OH-CA 3.36Å; Y153-T414 PolarHBondContact OH-N 3.12Å; Y153-T414 VanDerWaalsContact OH-N 3.16Å; Y153-T414 PolarHBondContact OH-OG1 2.95Å; Y153-D417 VanDerWaalsContact CE1-OD2 3.23Å; Y153-D417 WeakPolarHBondContact CE1-OD2 3.49Å; Y153-D417 PolarHBondContact OH-OD2 3.22Å
154	G	82.7	Confident	89.4	Confident	59 Å²	59	62.5 Å²	62.5	61%	0.608	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-143.5	-166.2	0	0	0	0	0	111.6
155	D	73.5	Confident	89.9	Confident	165 Å²	165	63.6 Å²	63.6	88%	0.882	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.9	-170.2	-65	-27.9	0	0	0	113.6
156	Q	82.5	Confident	90	Very high	177 Å²	177	64.3 Å²	64.3	83%	0.827	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.1	-7.3	-172	-64.4	-169.6	-15.5	0	0	116.2
157	E	93.5	Very high	89.9	Confident	39 Å²	39	66.9 Å²	66.9	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.3	-174.7	-163.8	-169	154.7	0	0	110.5	T152 Y153 F159 R177 Q178 S179	T152-E157 CarbonylContact C-O 3.6Å; T152-E157 VanDerWaalsContact C-O 3.28Å; T152-E157 WeakPolarHBondContact CA-O 3.44Å; T152-E157 WeakPolarHBondContact CB-O 3.36Å; Y153-E157 PolarHBondContact N-O 2.9Å; Y153-E157 VanDerWaalsContact O-CB 3.28Å; Y153-E157 WeakPolarHBondContact O-CB 3.02Å; Y153-E157 PolarHBondContact O-N 3.47Å; E157-F159 PolarHBondContact O-N 3.38Å; E157-R177 VanDerWaalsContact OE1-C 3.26Å; E157-R177 WeakPolarHBondContact OE1-CA 3.27Å; E157-R177 WeakPolarHBondContact OE1-CB 3.38Å; E157-R177 IonicContact OE1-NE 3.48Å; E157-R177 IonicContact OE2-CZ 3.76Å; E157-R177 VanDerWaalsContact OE2-CZ 3.31Å; E157-R177 IonicContact OE2-NE 2.76Å; E157-R177 PolarHBondContact OE2-NE 3.4Å; E157-R177 IonicContact OE2-NH2 2.89Å; E157-R177 PolarHBondContact OE2-NH2 3.01Å; E157-Q178 HydrophobicContact CG-CB 4.39Å; E157-Q178 PolarHBondContact OE1-N 2.81Å; E157-S179 WeakPolarHBondContact OE1-CB 3.39Å; E157-S179 PolarHBondContact OE1-N 3.36Å; E157-S179 PolarHBondContact OE1-OG 3.5Å; E157-S179 VanDerWaalsContact OE1-OG 3.05Å
158	R	96	Very high	90.1	Very high	124 Å²	124	66.8 Å²	66.8	47%	0.468	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.5	172.6	-176.2	-178.2	178.6	-178.7	-0.2	110.1	L160 L161 Q178	R158-L160 WeakPolarHBondContact CG-O 3.48Å; R158-L160 PolarHBondContact NE-O 3.46Å; R158-L160 PolarHBondContact NH2-O 3.22Å; R158-L161 PolarHBondContact NH2-O 2.99Å; R158-Q178 HydrophobicContact CB-CB 4.04Å; R158-Q178 VanDerWaalsContact CB-OE1 3.23Å; R158-Q178 WeakPolarHBondContact O-CB 3.41Å; R158-Q178 PolarHBondContact O-N 3.43Å
159	F	96.7	Very high	90.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.362	C	S	.	.			trans	-118.7	-34.1	179.1	-168.4	-121.6	0	0	0	113.3	Q151 T152 Y153 E157 L161 F175 G176 R177 I409 R410 Q413	Q151-F159 CarbonylContact O-C 3.56Å; Q151-F159 WeakPolarHBondContact O-CA 3.46Å; Q151-F159 WeakPolarHBondContact O-CB 3.38Å; Q151-F159 PolarHBondContact O-N 2.83Å; T152-F159 VanDerWaalsContact O-CB 3.25Å; T152-F159 WeakPolarHBondContact O-CB 3.16Å; Y153-F159 HydrophobicContact CD2-CD2 4.18Å; Y153-F159 HydrophobicContact CD2-CE2 4.25Å; Y153-F159 HydrophobicContact CG-CD2 4.23Å; E157-F159 PolarHBondContact O-N 3.38Å; F159-L161 PolarHBondContact O-N 3.05Å; F159-F175 HydrophobicContact CD1-CB 4.26Å; F159-F175 AromaticContact CD1-CD1 3.75Å; F159-F175 HydrophobicContact CD1-CD1 3.75Å; F159-F175 HydrophobicContact CD1-CG 4.46Å; F159-F175 HydrophobicContact CE1-CB 3.92Å; F159-F175 AromaticContact CE1-CD1 3.95Å; F159-F175 HydrophobicContact CE1-CD1 3.95Å; F159-F175 HydrophobicContact CE1-CG 4.31Å; F159-F175 HydrophobicContact CZ-CB 4.15Å; F159-F175 CarbonylContact O-C 3.58Å; F159-F175 WeakPolarHBondContact O-CA 3.4Å; F159-G176 CarbonylContact C-O 3.53Å; F159-G176 VanDerWaalsContact CA-O 3.29Å; F159-G176 WeakPolarHBondContact CA-O 3.46Å; F159-G176 PolarHBondContact O-N 2.82Å; F159-R177 HydrophobicContact CD2-CG 4.36Å; F159-R177 HydrophobicContact CE2-CG 4.47Å; F159-I409 HydrophobicContact CE1-CD1 3.69Å; F159-I409 HydrophobicContact CE1-CG1 3.89Å; F159-I409 HydrophobicContact CZ-CD1 4.02Å; F159-I409 HydrophobicContact CZ-CG1 4.13Å; F159-R410 HydrophobicContact CD1-CG 4.15Å; F159-R410 HydrophobicContact CE1-CG 3.77Å; F159-R410 HydrophobicContact CZ-CG 4.28Å; F159-Q413 HydrophobicContact CE2-CB 4.39Å; F159-Q413 HydrophobicContact CE2-CG 4.18Å
160	L	97.2	Very high	90.5	Very high	7 Å²	7	64.7 Å²	64.7	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	97.6	167.2	-180	63	0	0	0	108.5	I146 Q151 R158 F162 D163 L173 F175	I146-L160 HydrophobicContact CB-CD2 4.3Å; I146-L160 HydrophobicContact CG1-CD2 4.37Å; I146-L160 HydrophobicContact CG2-CD2 4.27Å; Q151-L160 HydrophobicContact CB-CB 4.02Å; Q151-L160 HydrophobicContact CB-CD2 4.49Å; Q151-L160 HydrophobicContact CG-CB 4.23Å; Q151-L160 HydrophobicContact CG-CD2 3.8Å; Q151-L160 PolarHBondContact O-N 3.37Å; R158-L160 WeakPolarHBondContact CG-O 3.48Å; R158-L160 PolarHBondContact NE-O 3.46Å; R158-L160 PolarHBondContact NH2-O 3.22Å; L160-F162 VanDerWaalsContact CD1-O 3.26Å; L160-F162 WeakPolarHBondContact CD1-O 3.43Å; L160-D163 HydrophobicContact CD1-CB 4.49Å; L160-D163 HydrophobicContact CD2-CB 4.12Å; L160-D163 HydrophobicContact CG-CB 4.45Å; L160-L173 HydrophobicContact CD1-CB 4.22Å; L160-L173 HydrophobicContact CD1-CD2 4.33Å; L160-F175 HydrophobicContact CB-CD1 4.2Å; L160-F175 HydrophobicContact CB-CE1 4.05Å; L160-F175 HydrophobicContact CD1-CD1 4.03Å; L160-F175 HydrophobicContact CD1-CD2 4.44Å; L160-F175 HydrophobicContact CD1-CE1 3.68Å; L160-F175 HydrophobicContact CD1-CE2 4.1Å; L160-F175 HydrophobicContact CD1-CG 4.41Å; L160-F175 HydrophobicContact CD1-CZ 3.71Å; L160-F175 HydrophobicContact CG-CE1 4.38Å
161	L	97.4	Very high	90.8	Very high	11 Å²	11	63.2 Å²	63.2	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-33.2	-176.1	-60.4	-177.4	0	0	0	112.3	R158 F159 V174 G176 Q178 L221 A243 W244	R158-L161 PolarHBondContact NH2-O 2.99Å; F159-L161 PolarHBondContact O-N 3.05Å; L161-V174 PolarHBondContact N-O 2.96Å; L161-G176 WeakPolarHBondContact CD2-O 3.4Å; L161-G176 VanDerWaalsContact CG-O 3.29Å; L161-G176 WeakPolarHBondContact CG-O 3.46Å; L161-Q178 HydrophobicContact CD2-CB 4.1Å; L161-L221 HydrophobicContact CD1-CD2 3.58Å; L161-A243 HydrophobicContact CB-CB 4.14Å; L161-W244 HydrophobicContact CD1-CZ2 3.67Å
162	F	97.5	Very high	90.9	Very high	57 Å²	57	59.7 Å²	59.7	25%	0.25	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.7	177.5	-179.7	-105.5	0	0	0	111.3	L160 I172 L173 V174	L160-F162 VanDerWaalsContact CD1-O 3.26Å; L160-F162 WeakPolarHBondContact CD1-O 3.43Å; F162-I172 HydrophobicContact CD1-CB 4.46Å; F162-I172 HydrophobicContact CD1-CG2 4.12Å; F162-I172 HydrophobicContact CE1-CB 4.12Å; F162-I172 HydrophobicContact CE1-CG2 4.18Å; F162-L173 CarbonylContact O-C 3.55Å; F162-L173 WeakPolarHBondContact O-CA 3.5Å; F162-V174 HydrophobicContact CB-CB 3.94Å; F162-V174 HydrophobicContact CB-CG2 4.08Å; F162-V174 HydrophobicContact CD1-CG2 4.19Å; F162-V174 PolarHBondContact N-O 3.11Å; F162-V174 VanDerWaalsContact N-O 3.16Å; F162-V174 PolarHBondContact O-N 3.45Å
163	D	96.2	Very high	91.1	Very high	51 Å²	51	58 Å²	58	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	116.8	170.2	-179	-11	0	0	0	106.4	L160 G165 R171 I172 L173	L160-D163 HydrophobicContact CD1-CB 4.49Å; L160-D163 HydrophobicContact CD2-CB 4.12Å; L160-D163 HydrophobicContact CG-CB 4.45Å; D163-G165 PolarHBondContact O-N 2.84Å; D163-G165 PolarHBondContact OD1-N 3.46Å; D163-R171 IonicContact OD1-CZ 3.57Å; D163-R171 IonicContact OD1-NE 2.9Å; D163-R171 PolarHBondContact OD1-NE 3.03Å; D163-R171 IonicContact OD1-NH2 2.64Å; D163-R171 PolarHBondContact OD1-NH2 3.35Å; D163-R171 IonicContact OD2-CZ 2.87Å; D163-R171 IonicContact OD2-NE 3.83Å; D163-R171 IonicContact OD2-NH2 3.14Å; D163-R171 PolarHBondContact OD2-NH2 3.3Å; D163-I172 WeakPolarHBondContact CA-O 3.28Å; D163-L173 HydrophobicContact CB-CD2 3.72Å; D163-L173 VanDerWaalsContact OD1-CD2 3.29Å; D163-L173 WeakPolarHBondContact OD1-CD2 3.42Å
164	S	94.7	Very high	91.4	Very high	32 Å²	32	56.9 Å²	56.9	22%	0.224	31%	0.313	C	S	.	.			trans	-70.4	-7.1	-178.4	62.5	0	0	0	0	114	D168 R171 I172	S164-D168 WeakPolarHBondContact CB-OD2 3.17Å; S164-D168 PolarHBondContact OG-OD2 2.78Å; S164-R171 VanDerWaalsContact OG-CA 3.24Å; S164-R171 WeakPolarHBondContact OG-CA 3.41Å; S164-R171 WeakPolarHBondContact OG-CG 3.34Å; S164-I172 PolarHBondContact N-O 3.46Å; S164-I172 VanDerWaalsContact N-O 3.09Å; S164-I172 PolarHBondContact OG-N 2.99Å
165	G	88.4	Confident	92.2	Very high	24 Å²	24	54 Å²	54	25%	0.247	28%	0.284	C	S	.	.			trans	113.1	160.2	164.9	0	0	0	0	0	114.7	D163 D168 R171	D163-G165 PolarHBondContact O-N 2.84Å; D163-G165 PolarHBondContact OD1-N 3.46Å; G165-D168 WeakPolarHBondContact O-CB 3.49Å; G165-D168 PolarHBondContact O-N 3.35Å; G165-R171 WeakPolarHBondContact O-CD 3.21Å; G165-R171 PolarHBondContact O-NE 3.12Å
166	L	86.7	Confident	93.3	Very high	110 Å²	110	46.2 Å²	46.2	58%	0.576	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	140	172.2	-69.7	166.4	0	0	0	110.1	V144 V145 D168	V144-L166 WeakPolarHBondContact O-CD2 3.41Å; V145-L166 HydrophobicContact CG2-CD1 4.1Å; V145-L166 HydrophobicContact CG2-CD2 3.77Å; L166-D168 VanDerWaalsContact C-N 3.31Å
167	G	84.1	Confident	93.9	Very high	60 Å²	60	40.4 Å²	40.4	62%	0.619	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-10.6	-176.3	0	0	0	0	0	114.8	A142 E169	A142-G167 PolarHBondContact O-N 3.17Å; G167-E169 PolarHBondContact O-N 3.15Å
168	D	89.7	Confident	94.1	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	23%	0.228	C	C	.	.			trans	-73.8	112.2	173.4	-173.3	-0.8	0	0	0	110.3	A142 S164 G165 L166 Q170 R171 R235	A142-D168 WeakPolarHBondContact CA-O 3.42Å; A142-D168 WeakPolarHBondContact CB-O 3.25Å; S164-D168 WeakPolarHBondContact CB-OD2 3.17Å; S164-D168 PolarHBondContact OG-OD2 2.78Å; G165-D168 WeakPolarHBondContact O-CB 3.49Å; G165-D168 PolarHBondContact O-N 3.35Å; L166-D168 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.24Å; D168-Q170 VanDerWaalsContact OD1-C 3.26Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.45Å; D168-Q170 PolarHBondContact OD1-N 3.14Å; D168-R171 HydrophobicContact CB-CB 4.16Å; D168-R171 HydrophobicContact CB-CG 4.36Å; D168-R171 WeakPolarHBondContact O-CB 3.18Å; D168-R171 PolarHBondContact O-N 3.45Å; D168-R235 IonicContact OD2-CZ 2.7Å; D168-R235 IonicContact OD2-NH1 3.77Å; D168-R235 IonicContact OD2-NH2 3.52Å; D168-R235 PolarHBondContact OD2-NH2 2.97Å
169	E	87	Confident	94	Very high	158 Å²	158	39.4 Å²	39.4	74%	0.738	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.6	174.9	-63.8	-172.2	165.4	0	0	112.3	G167	G167-E169 PolarHBondContact O-N 3.15Å
170	Q	91	Very high	93.9	Very high	79 Å²	79	39.6 Å²	39.6	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	41.1	176.7	-57.6	-57.3	-33.4	0	0	110.5	D168 I172 P226 N227 R235	D168-Q170 PolarHBondContact O-N 3.24Å; D168-Q170 VanDerWaalsContact OD1-C 3.26Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.45Å; D168-Q170 PolarHBondContact OD1-N 3.14Å; Q170-I172 PolarHBondContact O-N 2.87Å; Q170-P226 HydrophobicContact CB-CG 4.15Å; Q170-N227 PolarHBondContact OE1-ND2 3.17Å; Q170-R235 PolarHBondContact O-NH1 3.34Å
171	R	94.4	Very high	93.8	Very high	3 Å²	3	40 Å²	40	1%	0.011	22%	0.224	C	C	.	.			trans	-61.3	136.3	-173.8	-158.1	174.1	176.7	175.7	-2.8	112.4	V141 V144 D163 S164 G165 D168 L173 F203 P226	V141-R171 HydrophobicContact CG1-CB 3.31Å; V141-R171 WeakPolarHBondContact O-CD 2.69Å; V141-R171 PolarHBondContact O-NH1 2.9Å; V144-R171 PolarHBondContact O-NH1 3.26Å; V144-R171 PolarHBondContact O-NH2 3.35Å; D163-R171 IonicContact OD1-CZ 3.57Å; D163-R171 IonicContact OD1-NE 2.9Å; D163-R171 PolarHBondContact OD1-NE 3.03Å; D163-R171 IonicContact OD1-NH2 2.64Å; D163-R171 PolarHBondContact OD1-NH2 3.35Å; D163-R171 IonicContact OD2-CZ 2.87Å; D163-R171 IonicContact OD2-NE 3.83Å; D163-R171 IonicContact OD2-NH2 3.14Å; D163-R171 PolarHBondContact OD2-NH2 3.3Å; S164-R171 VanDerWaalsContact OG-CA 3.24Å; S164-R171 WeakPolarHBondContact OG-CA 3.41Å; S164-R171 WeakPolarHBondContact OG-CG 3.34Å; G165-R171 WeakPolarHBondContact O-CD 3.21Å; G165-R171 PolarHBondContact O-NE 3.12Å; D168-R171 HydrophobicContact CB-CB 4.16Å; D168-R171 HydrophobicContact CB-CG 4.36Å; D168-R171 WeakPolarHBondContact O-CB 3.18Å; D168-R171 PolarHBondContact O-N 3.45Å; R171-L173 HydrophobicContact CG-CD2 4.46Å; R171-F203 WeakPolarHBondContact O-CE1 3.33Å; R171-P226 WeakPolarHBondContact O-CD 3.49Å
172	I	96.2	Very high	93.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.			trans	-117.8	131.1	174.9	-64.7	167.3	0	0	0	107.8	F162 D163 S164 Q170 V174 L225 T232 R235 M236	F162-I172 HydrophobicContact CD1-CB 4.46Å; F162-I172 HydrophobicContact CD1-CG2 4.12Å; F162-I172 HydrophobicContact CE1-CB 4.12Å; F162-I172 HydrophobicContact CE1-CG2 4.18Å; D163-I172 WeakPolarHBondContact CA-O 3.28Å; S164-I172 PolarHBondContact N-O 3.46Å; S164-I172 VanDerWaalsContact N-O 3.09Å; S164-I172 PolarHBondContact OG-N 2.99Å; Q170-I172 PolarHBondContact O-N 2.87Å; I172-V174 HydrophobicContact CG2-CG2 3.97Å; I172-L225 HydrophobicContact CG1-CD2 4.17Å; I172-L225 HydrophobicContact CG2-CD2 3.88Å; I172-T232 HydrophobicContact CD1-CG2 4.02Å; I172-T232 HydrophobicContact CG1-CG2 4.29Å; I172-R235 HydrophobicContact CD1-CB 3.57Å; I172-M236 HydrophobicContact CG2-CB 4.46Å
173	L	96.9	Very high	93.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	170.5	-55.4	175.4	0	0	0	108.4	I146 L160 F162 D163 R171 F175 F203 A223 L224 I402	I146-L173 HydrophobicContact CD1-CD1 3.9Å; I146-L173 HydrophobicContact CG1-CD1 4.25Å; L160-L173 HydrophobicContact CD1-CB 4.22Å; L160-L173 HydrophobicContact CD1-CD2 4.33Å; F162-L173 CarbonylContact O-C 3.55Å; F162-L173 WeakPolarHBondContact O-CA 3.5Å; D163-L173 HydrophobicContact CB-CD2 3.72Å; D163-L173 VanDerWaalsContact OD1-CD2 3.29Å; D163-L173 WeakPolarHBondContact OD1-CD2 3.42Å; R171-L173 HydrophobicContact CG-CD2 4.46Å; L173-F175 HydrophobicContact CB-CD2 4.42Å; L173-F175 HydrophobicContact CB-CE2 3.7Å; L173-F175 HydrophobicContact CB-CZ 4.35Å; L173-F175 HydrophobicContact CD1-CE2 4.33Å; L173-F175 HydrophobicContact CD1-CZ 4.44Å; L173-F203 HydrophobicContact CD1-CE2 4.3Å; L173-F203 HydrophobicContact CD1-CZ 3.74Å; L173-F203 HydrophobicContact CG-CZ 4.12Å; L173-A223 CarbonylContact O-C 3.58Å; L173-A223 WeakPolarHBondContact O-CA 3.23Å; L173-L224 HydrophobicContact CB-CB 4.23Å; L173-L224 HydrophobicContact CD1-CD1 4.07Å; L173-L224 PolarHBondContact N-O 2.93Å; L173-L224 PolarHBondContact O-N 3.01Å; L173-I402 HydrophobicContact CD1-CD1 4.05Å
174	V	98.1	Very high	93.5	Very high	2 Å²	2	44 Å²	44	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	174.8	-174.6	0	0	0	0	109.3	L161 F162 I172 L221 A223 M236 I240	L161-V174 PolarHBondContact N-O 2.96Å; F162-V174 HydrophobicContact CB-CB 3.94Å; F162-V174 HydrophobicContact CB-CG2 4.08Å; F162-V174 HydrophobicContact CD1-CG2 4.19Å; F162-V174 PolarHBondContact N-O 3.11Å; F162-V174 VanDerWaalsContact N-O 3.16Å; F162-V174 PolarHBondContact O-N 3.45Å; I172-V174 HydrophobicContact CG2-CG2 3.97Å; V174-L221 HydrophobicContact CG1-CD2 4.04Å; V174-A223 HydrophobicContact CG2-CB 4.11Å; V174-M236 HydrophobicContact CG2-CG 4.29Å; V174-I240 HydrophobicContact CG1-CG1 4Å
175	F	97.8	Very high	93.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.8	177.1	-62.1	-93.3	0	0	0	111	F159 L160 L173 L221 Y222 L224 I406 I409	F159-F175 HydrophobicContact CD1-CB 4.26Å; F159-F175 AromaticContact CD1-CD1 3.75Å; F159-F175 HydrophobicContact CD1-CD1 3.75Å; F159-F175 HydrophobicContact CD1-CG 4.46Å; F159-F175 HydrophobicContact CE1-CB 3.92Å; F159-F175 AromaticContact CE1-CD1 3.95Å; F159-F175 HydrophobicContact CE1-CD1 3.95Å; F159-F175 HydrophobicContact CE1-CG 4.31Å; F159-F175 HydrophobicContact CZ-CB 4.15Å; F159-F175 CarbonylContact O-C 3.58Å; F159-F175 WeakPolarHBondContact O-CA 3.4Å; L160-F175 HydrophobicContact CB-CD1 4.2Å; L160-F175 HydrophobicContact CB-CE1 4.05Å; L160-F175 HydrophobicContact CD1-CD1 4.03Å; L160-F175 HydrophobicContact CD1-CD2 4.44Å; L160-F175 HydrophobicContact CD1-CE1 3.68Å; L160-F175 HydrophobicContact CD1-CE2 4.1Å; L160-F175 HydrophobicContact CD1-CG 4.41Å; L160-F175 HydrophobicContact CD1-CZ 3.71Å; L160-F175 HydrophobicContact CG-CE1 4.38Å; L173-F175 HydrophobicContact CB-CD2 4.42Å; L173-F175 HydrophobicContact CB-CE2 3.7Å; L173-F175 HydrophobicContact CB-CZ 4.35Å; L173-F175 HydrophobicContact CD1-CE2 4.33Å; L173-F175 HydrophobicContact CD1-CZ 4.44Å; F175-L221 CarbonylContact O-C 3.49Å; F175-L221 VanDerWaalsContact O-CA 3.3Å; F175-L221 WeakPolarHBondContact O-CA 3.46Å; F175-Y222 PolarHBondContact N-O 2.88Å; F175-Y222 PolarHBondContact O-N 2.91Å; F175-L224 HydrophobicContact CE2-CD1 4.16Å; F175-I406 HydrophobicContact CE1-CD1 4.01Å; F175-I406 HydrophobicContact CE1-CG1 3.98Å; F175-I406 HydrophobicContact CE1-CG2 4.34Å; F175-I406 HydrophobicContact CE2-CG1 4.43Å; F175-I406 HydrophobicContact CZ-CD1 3.73Å; F175-I406 HydrophobicContact CZ-CG1 3.76Å; F175-I409 HydrophobicContact CB-CD1 3.6Å; F175-I409 HydrophobicContact CD1-CD1 4.18Å; F175-I409 HydrophobicContact CD2-CD1 3.98Å; F175-I409 HydrophobicContact CG-CD1 3.67Å
176	G	97.1	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	160.1	176.5	0	0	0	0	0	109.8	F159 L161 Q178	F159-G176 CarbonylContact C-O 3.53Å; F159-G176 VanDerWaalsContact CA-O 3.29Å; F159-G176 WeakPolarHBondContact CA-O 3.46Å; F159-G176 PolarHBondContact O-N 2.82Å; L161-G176 WeakPolarHBondContact CD2-O 3.4Å; L161-G176 VanDerWaalsContact CG-O 3.29Å; L161-G176 WeakPolarHBondContact CG-O 3.46Å; G176-Q178 PolarHBondContact O-N 3.11Å
177	R	96.5	Very high	94.3	Very high	56 Å²	56	41.4 Å²	41.4	21%	0.211	22%	0.219	C	C	.	.			trans	-70.4	122.6	178.9	-74.9	-171.2	68.9	-161.2	-0.1	110.7	Y153 E157 F159 S179 A180 W244 Q413 D417	Y153-R177 HydrophobicContact CD1-CG 3.87Å; Y153-R177 HydrophobicContact CE1-CG 4.18Å; Y153-R177 HydrophobicContact CG-CG 4.17Å; E157-R177 VanDerWaalsContact OE1-C 3.26Å; E157-R177 WeakPolarHBondContact OE1-CA 3.27Å; E157-R177 WeakPolarHBondContact OE1-CB 3.38Å; E157-R177 IonicContact OE1-NE 3.48Å; E157-R177 IonicContact OE2-CZ 3.76Å; E157-R177 VanDerWaalsContact OE2-CZ 3.31Å; E157-R177 IonicContact OE2-NE 2.76Å; E157-R177 PolarHBondContact OE2-NE 3.4Å; E157-R177 IonicContact OE2-NH2 2.89Å; E157-R177 PolarHBondContact OE2-NH2 3.01Å; F159-R177 HydrophobicContact CD2-CG 4.36Å; F159-R177 HydrophobicContact CE2-CG 4.47Å; R177-S179 PolarHBondContact NH2-OG 2.83Å; R177-S179 PolarHBondContact O-N 3.1Å; R177-A180 HydrophobicContact CB-CB 4.1Å; R177-A180 WeakPolarHBondContact O-CB 3.28Å; R177-A180 PolarHBondContact O-N 2.79Å; R177-W244 VanDerWaalsContact O-CZ2 3.27Å; R177-W244 WeakPolarHBondContact O-CZ2 3.32Å; R177-Q413 HydrophobicContact CG-CG 3.75Å; R177-D417 VanDerWaalsContact CD-OD1 3.3Å; R177-D417 WeakPolarHBondContact CD-OD1 3.47Å; R177-D417 IonicContact CZ-OD1 3.36Å; R177-D417 IonicContact CZ-OD2 2.89Å; R177-D417 IonicContact NE-OD1 3.22Å; R177-D417 IonicContact NE-OD2 3.61Å; R177-D417 IonicContact NH1-OD1 2.72Å; R177-D417 PolarHBondContact NH1-OD1 3.4Å; R177-D417 IonicContact NH1-OD2 2.75Å; R177-D417 PolarHBondContact NH1-OD2 2.81Å
178	Q	96	Very high	94.8	Very high	106 Å²	106	41.9 Å²	41.9	50%	0.495	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-54.8	-37.4	175.1	-176.6	179.2	13	0	0	111.8	E157 R158 L161 G176 A180 G181	E157-Q178 HydrophobicContact CG-CB 4.39Å; E157-Q178 PolarHBondContact OE1-N 2.81Å; R158-Q178 HydrophobicContact CB-CB 4.04Å; R158-Q178 VanDerWaalsContact CB-OE1 3.23Å; R158-Q178 WeakPolarHBondContact O-CB 3.41Å; R158-Q178 PolarHBondContact O-N 3.43Å; L161-Q178 HydrophobicContact CD2-CB 4.1Å; G176-Q178 PolarHBondContact O-N 3.11Å; Q178-A180 VanDerWaalsContact C-N 3.26Å; Q178-A180 PolarHBondContact O-N 3.43Å; Q178-G181 PolarHBondContact O-N 2.87Å; Q178-G181 VanDerWaalsContact O-N 3.13Å
179	S	94.9	Very high	94.9	Very high	35 Å²	35	42.2 Å²	42.2	25%	0.245	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-67.1	-25.2	179.3	74.3	0	0	0	0	113	E157 R177 G181 Q182	E157-S179 WeakPolarHBondContact OE1-CB 3.39Å; E157-S179 PolarHBondContact OE1-N 3.36Å; E157-S179 PolarHBondContact OE1-OG 3.5Å; E157-S179 VanDerWaalsContact OE1-OG 3.05Å; R177-S179 PolarHBondContact NH2-OG 2.83Å; R177-S179 PolarHBondContact O-N 3.1Å; S179-G181 PolarHBondContact O-N 3.44Å; S179-Q182 VanDerWaalsContact O-CB 3.31Å; S179-Q182 WeakPolarHBondContact O-CB 3.5Å; S179-Q182 WeakPolarHBondContact O-CG 3.44Å; S179-Q182 PolarHBondContact O-N 3.29Å
180	A	94.6	Very high	95.2	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.041	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.4	175.1	0	0	0	0	0	112.3	R177 Q178 Q182 W183 S184 M187 W244	R177-A180 HydrophobicContact CB-CB 4.1Å; R177-A180 WeakPolarHBondContact O-CB 3.28Å; R177-A180 PolarHBondContact O-N 2.79Å; Q178-A180 VanDerWaalsContact C-N 3.26Å; Q178-A180 PolarHBondContact O-N 3.43Å; A180-Q182 PolarHBondContact O-N 3.18Å; A180-W183 HydrophobicContact CB-CZ2 4.42Å; A180-W183 PolarHBondContact O-N 3.36Å; A180-S184 PolarHBondContact O-N 3.36Å; A180-M187 HydrophobicContact CB-CE 4.25Å; A180-W244 HydrophobicContact CB-CH2 3.98Å; A180-W244 HydrophobicContact CB-CZ2 3.85Å
181	G	95.1	Very high	95.3	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.7	-26.8	170.4	0	0	0	0	0	114	Q178 S179 W183 S184	Q178-G181 PolarHBondContact O-N 2.87Å; Q178-G181 VanDerWaalsContact O-N 3.13Å; S179-G181 PolarHBondContact O-N 3.44Å; G181-W183 PolarHBondContact O-N 2.91Å; G181-S184 PolarHBondContact O-N 3.04Å; G181-S184 PolarHBondContact O-OG 2.76Å; G181-S184 VanDerWaalsContact O-OG 3.14Å
182	Q	93.9	Very high	95.2	Very high	163 Å²	163	31 Å²	31	76%	0.762	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-65.9	-24.8	179.4	-65	178.2	-9.6	0	0	113.1	S179 A180	S179-Q182 VanDerWaalsContact O-CB 3.31Å; S179-Q182 WeakPolarHBondContact O-CB 3.5Å; S179-Q182 WeakPolarHBondContact O-CG 3.44Å; S179-Q182 PolarHBondContact O-N 3.29Å; A180-Q182 PolarHBondContact O-N 3.18Å
183	W	94.1	Very high	94.9	Very high	39 Å²	39	31.8 Å²	31.8	15%	0.148	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-118.3	16.7	177.5	64.6	-88.5	0	0	0	112.1	A180 G181 S185 Q186 M187 L218 V220 Y420	A180-W183 HydrophobicContact CB-CZ2 4.42Å; A180-W183 PolarHBondContact O-N 3.36Å; G181-W183 PolarHBondContact O-N 2.91Å; W183-S185 PolarHBondContact O-N 3.15Å; W183-Q186 HydrophobicContact CB-CG 4.48Å; W183-Q186 HydrophobicContact CE3-CB 4.38Å; W183-Q186 WeakPolarHBondContact O-CA 3.47Å; W183-Q186 VanDerWaalsContact O-CB 3.24Å; W183-Q186 WeakPolarHBondContact O-CB 3.46Å; W183-Q186 PolarHBondContact O-N 2.63Å; W183-M187 HydrophobicContact CD2-CE 3.82Å; W183-M187 HydrophobicContact CE3-CE 3.71Å; W183-M187 HydrophobicContact CE3-CG 3.8Å; W183-M187 HydrophobicContact CH2-CE 3.54Å; W183-M187 HydrophobicContact CH2-CG 4.22Å; W183-M187 HydrophobicContact CZ2-CE 3.62Å; W183-M187 HydrophobicContact CZ3-CE 3.58Å; W183-M187 HydrophobicContact CZ3-CG 3.49Å; W183-M187 VanDerWaalsContact CZ3-CG 3.49Å; W183-M187 HydrophobicContact CZ3-SD 4.32Å; W183-L218 HydrophobicContact CH2-CD1 4.24Å; W183-V220 HydrophobicContact CH2-CG1 3.97Å; W183-V220 HydrophobicContact CZ2-CG1 4.25Å; W183-Y420 HydrophobicContact CD2-CE2 4.02Å; W183-Y420 AromaticContact CE2-CE2 3.78Å; W183-Y420 HydrophobicContact CE3-CE2 4.25Å; W183-Y420 HydrophobicContact CH2-CD2 4.2Å; W183-Y420 HydrophobicContact CH2-CE2 4.07Å; W183-Y420 AromaticContact CZ2-CD2 3.98Å; W183-Y420 HydrophobicContact CZ2-CD2 3.98Å; W183-Y420 AromaticContact CZ2-CE2 3.83Å; W183-Y420 HydrophobicContact CZ2-CE2 3.83Å; W183-Y420 HydrophobicContact CZ3-CE2 4.27Å
184	S	96.5	Very high	94.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-62	-27.7	-179.1	72.4	0	0	0	0	113	A180 G181 Q186 M187 F247	A180-S184 PolarHBondContact O-N 3.36Å; G181-S184 PolarHBondContact O-N 3.04Å; G181-S184 PolarHBondContact O-OG 2.76Å; G181-S184 VanDerWaalsContact O-OG 3.14Å; S184-Q186 PolarHBondContact O-N 3.41Å; S184-M187 WeakPolarHBondContact O-CB 3.41Å; S184-M187 PolarHBondContact O-N 2.76Å; S184-M187 VanDerWaalsContact O-N 3.12Å; S184-F247 PolarHBondContact OG-N 2.85Å; S184-F247 VanDerWaalsContact OG-N 3.15Å
185	S	95.9	Very high	93.7	Very high	35 Å²	35	33.4 Å²	33.4	25%	0.245	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.5	-19.4	172	56.6	0	0	0	0	114	W183 K188 Q246	W183-S185 PolarHBondContact O-N 3.15Å; S185-K188 WeakPolarHBondContact O-CD 3.43Å; S185-K188 WeakPolarHBondContact O-CE 3.37Å; S185-K188 PolarHBondContact O-NZ 3.05Å; S185-Q246 VanDerWaalsContact CA-O 3.26Å; S185-Q246 WeakPolarHBondContact CA-O 3.47Å; S185-Q246 PolarHBondContact N-O 3.37Å
186	Q	95.4	Very high	92.8	Very high	78 Å²	78	38.1 Å²	38.1	36%	0.364	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-91.9	-7.9	178.9	-59.1	-64.3	-55.1	0	0	112.8	W183 S184 K188 R213	W183-Q186 HydrophobicContact CB-CG 4.48Å; W183-Q186 HydrophobicContact CE3-CB 4.38Å; W183-Q186 WeakPolarHBondContact O-CA 3.47Å; W183-Q186 VanDerWaalsContact O-CB 3.24Å; W183-Q186 WeakPolarHBondContact O-CB 3.46Å; W183-Q186 PolarHBondContact O-N 2.63Å; S184-Q186 PolarHBondContact O-N 3.41Å; Q186-K188 PolarHBondContact O-N 3.08Å; Q186-R213 VanDerWaalsContact OE1-CZ 3.32Å
187	M	95	Very high	91.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.			trans	-80	64.3	177.7	-59.3	177	-171.8	0	0	110.3	A180 W183 S184 I190 A211 V220 W244 F247	A180-M187 HydrophobicContact CB-CE 4.25Å; W183-M187 HydrophobicContact CD2-CE 3.82Å; W183-M187 HydrophobicContact CE3-CE 3.71Å; W183-M187 HydrophobicContact CE3-CG 3.8Å; W183-M187 HydrophobicContact CH2-CE 3.54Å; W183-M187 HydrophobicContact CH2-CG 4.22Å; W183-M187 HydrophobicContact CZ2-CE 3.62Å; W183-M187 HydrophobicContact CZ3-CE 3.58Å; W183-M187 HydrophobicContact CZ3-CG 3.49Å; W183-M187 VanDerWaalsContact CZ3-CG 3.49Å; W183-M187 HydrophobicContact CZ3-SD 4.32Å; S184-M187 WeakPolarHBondContact O-CB 3.41Å; S184-M187 PolarHBondContact O-N 2.76Å; S184-M187 VanDerWaalsContact O-N 3.12Å; M187-I190 HydrophobicContact CB-CG2 4.32Å; M187-A211 HydrophobicContact CB-CB 3.8Å; M187-A211 HydrophobicContact CG-CB 3.65Å; M187-A211 HydrophobicContact SD-CB 4.06Å; M187-V220 HydrophobicContact CE-CB 4.37Å; M187-V220 HydrophobicContact CE-CG1 4.06Å; M187-V220 HydrophobicContact SD-CG1 4.48Å; M187-V220 HydrophobicContact SD-CG2 4.2Å; M187-W244 HydrophobicContact CE-CH2 4.33Å; M187-W244 HydrophobicContact CE-CZ3 3.93Å; M187-W244 HydrophobicContact SD-CE3 4.44Å; M187-W244 HydrophobicContact SD-CZ3 3.96Å; M187-F247 HydrophobicContact CB-CD2 4.25Å; M187-F247 HydrophobicContact CB-CE2 3.95Å; M187-F247 HydrophobicContact SD-CD2 3.88Å; M187-F247 HydrophobicContact SD-CE2 3.73Å
188	K	94.3	Very high	91.1	Very high	69 Å²	69	43 Å²	43	30%	0.3	21%	0.21	S	C	.	.			trans	-70.9	-38.7	-172	-61	-48.8	-159.8	163.6	0	113.5	S185 Q186 E250 T251	S185-K188 WeakPolarHBondContact O-CD 3.43Å; S185-K188 WeakPolarHBondContact O-CE 3.37Å; S185-K188 PolarHBondContact O-NZ 3.05Å; Q186-K188 PolarHBondContact O-N 3.08Å; K188-E250 HydrophobicContact CB-CG 4.49Å; K188-E250 HydrophobicContact CD-CG 4.11Å; K188-E250 WeakPolarHBondContact CD-OE1 3.16Å; K188-E250 WeakPolarHBondContact CE-OE1 3.33Å; K188-E250 IonicContact NZ-OE1 2.66Å; K188-E250 PolarHBondContact NZ-OE1 3.21Å; K188-E250 VanDerWaalsContact NZ-OE1 3.14Å; K188-E250 PolarHBondContact O-N 3.44Å; K188-T251 PolarHBondContact O-N 3.17Å
189	H	92.2	Very high	90.6	Very high	43 Å²	43	38.2 Å²	38.2	20%	0.199	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.8	179.7	-51.3	-58.3	0	0	0	109.1	E212 T251 M380	H189-E212 HydrophobicContact CB-CB 4.15Å; H189-E212 IonicContact CD2-OE2 3.55Å; H189-E212 PolarHBondContact O-N 3.24Å; H189-T251 PolarHBondContact ND1-OG1 3.46Å; H189-M380 HydrophobicContact CB-SD 3.99Å
190	I	94	Very high	90.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.1	179.7	58.7	161.8	0	0	0	111	M187 I209 M210 A211 F247 P249 T251 I252 T253	M187-I190 HydrophobicContact CB-CG2 4.32Å; I190-I209 HydrophobicContact CB-CG2 4.28Å; I190-I209 HydrophobicContact CD1-CG2 4.27Å; I190-I209 HydrophobicContact CG2-CG2 4.45Å; I190-M210 CarbonylContact C-O 3.53Å; I190-M210 WeakPolarHBondContact CA-O 3.4Å; I190-M210 WeakPolarHBondContact CB-O 3.29Å; I190-A211 HydrophobicContact CG2-CB 4.12Å; I190-F247 HydrophobicContact CD1-CE1 4.47Å; I190-F247 HydrophobicContact CD1-CZ 3.94Å; I190-F247 HydrophobicContact CG2-CE2 4.27Å; I190-F247 HydrophobicContact CG2-CZ 4.23Å; I190-P249 HydrophobicContact CD1-CB 3.86Å; I190-P249 HydrophobicContact CD1-CG 3.78Å; I190-P249 HydrophobicContact CG1-CB 3.79Å; I190-P249 HydrophobicContact CG1-CG 4.27Å; I190-P249 HydrophobicContact CG2-CB 4.4Å; I190-T251 WeakPolarHBondContact CG1-O 3.45Å; I190-T251 PolarHBondContact N-O 3.03Å; I190-I252 HydrophobicContact CD1-CB 4.01Å; I190-I252 HydrophobicContact CD1-CD1 3.66Å; I190-I252 HydrophobicContact CD1-CG1 3.68Å; I190-I252 HydrophobicContact CG1-CB 3.86Å; I190-I252 HydrophobicContact CG1-CD1 4.34Å; I190-I252 HydrophobicContact CG1-CG1 3.78Å; I190-I252 WeakPolarHBondContact O-CA 3.37Å; I190-T253 PolarHBondContact O-N 2.95Å
191	V	91.9	Very high	89.6	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.3	162.2	175.6	0	0	0	0	107.5	M210 T253 M380 V384	V191-M210 HydrophobicContact CB-CE 4.26Å; V191-M210 HydrophobicContact CG1-CE 4.06Å; V191-M210 PolarHBondContact N-O 3.2Å; V191-M210 PolarHBondContact O-N 2.72Å; V191-T253 WeakPolarHBondContact CA-O 3.41Å; V191-T253 HydrophobicContact CG2-CG2 4.41Å; V191-M380 HydrophobicContact CB-CE 4.09Å; V191-M380 HydrophobicContact CG2-CB 3.56Å; V191-M380 HydrophobicContact CG2-CE 3.45Å; V191-M380 VanDerWaalsContact CG2-CE 3.45Å; V191-M380 HydrophobicContact CG2-CG 4.32Å; V191-M380 HydrophobicContact CG2-SD 3.86Å; V191-V384 HydrophobicContact CB-CG2 3.82Å; V191-V384 HydrophobicContact CG1-CG2 3.39Å; V191-V384 HydrophobicContact CG2-CG2 3.95Å
192	A	92.8	Very high	89.1	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.2	169.6	0	0	0	0	0	111	Y207 V208 I209 I252 T253 L254	A192-Y207 HydrophobicContact CB-CD1 4.2Å; A192-Y207 HydrophobicContact CB-CE1 3.33Å; A192-V208 VanDerWaalsContact CA-O 3.28Å; A192-V208 WeakPolarHBondContact CA-O 3.2Å; A192-I209 HydrophobicContact CB-CG1 3.93Å; A192-I252 HydrophobicContact CB-CD1 4.46Å; A192-T253 PolarHBondContact N-O 3.02Å; A192-L254 HydrophobicContact CB-CD2 3.66Å; A192-L254 WeakPolarHBondContact O-CD2 3.38Å
193	D	89.4	Confident	89	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.08	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.9	-177.8	-165.7	55.8	0	0	0	112.1	V208 H279 V384 H388	D193-V208 PolarHBondContact N-O 3.18Å; D193-V208 PolarHBondContact O-N 3Å; D193-H279 IonicContact OD1-CE1 3.71Å; D193-H279 PolarHBondContact OD1-CE1 3.01Å; D193-V384 HydrophobicContact CB-CG1 4.33Å; D193-H388 IonicContact OD2-CE1 3.62Å; D193-H388 PolarHBondContact OD2-CE1 2.81Å; D193-H388 IonicContact OD2-ND1 3.7Å; D193-H388 IonicContact OD2-NE2 3.15Å; D193-H388 PolarHBondContact OD2-NE2 3.01Å
194	G	87.1	Confident	88.8	Confident	17 Å²	17	34.8 Å²	34.8	18%	0.175	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.3	176.2	0	0	0	0	0	111.7	V206	G194-V206 CarbonylContact C-O 3.49Å
195	T	82.4	Confident	88.7	Confident	20 Å²	20	34.8 Å²	34.8	12%	0.123	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.4	177.7	-169.5	0	0	0	0	112.5	I198 V206 V208	T195-I198 HydrophobicContact CG2-CD1 3.62Å; T195-I198 HydrophobicContact CG2-CG1 3.53Å; T195-V206 HydrophobicContact CG2-CB 3.93Å; T195-V206 HydrophobicContact CG2-CG1 4.28Å; T195-V206 PolarHBondContact N-O 3.31Å; T195-V206 PolarHBondContact O-N 3.02Å; T195-V208 HydrophobicContact CG2-CG2 4.48Å
196	F	78.8	Confident	88.6	Confident	98 Å²	98	33.1 Å²	33.1	43%	0.43	17%	0.17	S	C	.	.	S	Bend	trans	-89.5	-35.9	-173.8	-50.8	-67.6	0	0	0	112.8	I198 A199 A204 Q205 K228	F196-I198 PolarHBondContact O-N 2.95Å; F196-A199 WeakPolarHBondContact O-CB 3.23Å; F196-A199 PolarHBondContact O-N 3.41Å; F196-A204 WeakPolarHBondContact CD1-O 3.26Å; F196-Q205 HydrophobicContact CD1-CB 3.87Å; F196-Q205 HydrophobicContact CE1-CB 3.7Å; F196-K228 HydrophobicContact CE1-CD 4.44Å
197	R	78.5	Confident	88.5	Confident	157 Å²	157	29.8 Å²	29.8	59%	0.592	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25	-167	-68.9	-172.5	178.7	-173.3	0.1	113.9	N398 S399	R197-N398 CarbonylContact O-C 3.6Å; R197-N398 VanDerWaalsContact O-CA 3.32Å; R197-N398 WeakPolarHBondContact O-CA 3.21Å; R197-S399 PolarHBondContact O-N 3.23Å
198	I	79.1	Confident	88.5	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	4.3	-177.6	62.1	159.6	0	0	0	112.4	T195 F196 V206 M391 F395 P400 F405	T195-I198 HydrophobicContact CG2-CD1 3.62Å; T195-I198 HydrophobicContact CG2-CG1 3.53Å; F196-I198 PolarHBondContact O-N 2.95Å; I198-V206 HydrophobicContact CD1-CB 4.47Å; I198-V206 HydrophobicContact CD1-CG1 4.37Å; I198-V206 HydrophobicContact CG1-CB 4.38Å; I198-V206 HydrophobicContact CG1-CG2 4.25Å; I198-M391 HydrophobicContact CD1-CB 4.27Å; I198-M391 HydrophobicContact CD1-SD 4.08Å; I198-F395 HydrophobicContact CB-CD2 3.84Å; I198-F395 HydrophobicContact CB-CE2 4.09Å; I198-F395 HydrophobicContact CB-CG 4.41Å; I198-F395 HydrophobicContact CD1-CD2 4.03Å; I198-F395 HydrophobicContact CD1-CE2 3.53Å; I198-F395 HydrophobicContact CD1-CZ 4.35Å; I198-F395 HydrophobicContact CG1-CE2 4.42Å; I198-F395 HydrophobicContact CG2-CB 4.38Å; I198-F395 HydrophobicContact CG2-CD2 3.57Å; I198-F395 HydrophobicContact CG2-CE2 4.24Å; I198-F395 HydrophobicContact CG2-CG 4.19Å; I198-P400 WeakPolarHBondContact O-CD 3.07Å; I198-P400 WeakPolarHBondContact O-CG 3.38Å; I198-F405 HydrophobicContact CD1-CE2 4.46Å; I198-F405 WeakPolarHBondContact O-CD2 3.46Å
199	A	86.4	Confident	88.5	Confident	5 Å²	5	26.6 Å²	26.6	4%	0.041	14%	0.14	C	C	.	.	S	Bend	trans	-69.3	133.6	176.6	0	0	0	0	0	110.3	F196 V206 S399	F196-A199 WeakPolarHBondContact O-CB 3.23Å; F196-A199 PolarHBondContact O-N 3.41Å; A199-V206 HydrophobicContact CB-CG2 3.97Å; A199-S399 WeakPolarHBondContact O-CA 3.32Å
200	P	85.7	Confident	88.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	-53.8	145.4	166.6	-21.9	32.8	0	0	0	111.1	E202 F203 L224 P400 I402 F405	P200-E202 WeakPolarHBondContact CB-OE2 3.22Å; P200-E202 PolarHBondContact O-N 3.38Å; P200-F203 HydrophobicContact CB-CD2 4.26Å; P200-F203 HydrophobicContact CG-CD2 4.46Å; P200-F203 PolarHBondContact O-N 3.15Å; P200-F203 VanDerWaalsContact O-O 3.08Å; P200-L224 HydrophobicContact CG-CD1 4.22Å; P200-L224 HydrophobicContact CG-CD2 3.94Å; P200-P400 VanDerWaalsContact CA-O 3.26Å; P200-P400 WeakPolarHBondContact CA-O 3.47Å; P200-I402 HydrophobicContact CB-CB 4.19Å; P200-I402 HydrophobicContact CG-CB 4.28Å; P200-I402 HydrophobicContact CG-CG1 4.34Å; P200-F405 HydrophobicContact CG-CB 3.69Å; P200-F405 HydrophobicContact CG-CD1 4.22Å; P200-F405 HydrophobicContact CG-CD2 4.37Å; P200-F405 HydrophobicContact CG-CG 3.82Å
201	P	83.6	Confident	88.5	Confident	94 Å²	94	24.6 Å²	24.6	61%	0.61	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.5	-175	-27.2	34.7	0	0	0	114.9	F203	P201-F203 VanDerWaalsContact C-N 3.32Å
202	E	84.2	Confident	88.5	Confident	31 Å²	31	26.6 Å²	26.6	15%	0.145	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.1	179.1	-53.6	81	-179.6	0	0	112	P138 V141 P200	P138-E202 HydrophobicContact CG-CG 4.24Å; V141-E202 HydrophobicContact CG2-CB 3.83Å; V141-E202 WeakPolarHBondContact CG2-O 3.41Å; P200-E202 WeakPolarHBondContact CB-OE2 3.22Å; P200-E202 PolarHBondContact O-N 3.38Å
203	F	91.1	Very high	88.3	Confident	10 Å²	10	29.2 Å²	29.2	4%	0.044	15%	0.15	C	C	.	.	S	Bend	trans	-109	143.5	-174.6	-64.8	-89.4	0	0	0	111.9	V141 R171 L173 P200 P201 Q205 L224 I402	V141-F203 HydrophobicContact CG1-CE1 3.89Å; V141-F203 HydrophobicContact CG1-CZ 4.16Å; R171-F203 WeakPolarHBondContact O-CE1 3.33Å; L173-F203 HydrophobicContact CD1-CE2 4.3Å; L173-F203 HydrophobicContact CD1-CZ 3.74Å; L173-F203 HydrophobicContact CG-CZ 4.12Å; P200-F203 HydrophobicContact CB-CD2 4.26Å; P200-F203 HydrophobicContact CG-CD2 4.46Å; P200-F203 PolarHBondContact O-N 3.15Å; P200-F203 VanDerWaalsContact O-O 3.08Å; P201-F203 VanDerWaalsContact C-N 3.32Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 2.95Å; F203-L224 HydrophobicContact CB-CB 4.4Å; F203-L224 HydrophobicContact CB-CD2 4.32Å; F203-L224 HydrophobicContact CD1-CB 3.61Å; F203-L224 HydrophobicContact CD2-CB 4.06Å; F203-L224 HydrophobicContact CD2-CD1 3.96Å; F203-L224 HydrophobicContact CD2-CD2 4.28Å; F203-L224 HydrophobicContact CD2-CG 4.35Å; F203-L224 HydrophobicContact CE1-CB 3.75Å; F203-L224 HydrophobicContact CE2-CB 4.2Å; F203-L224 HydrophobicContact CE2-CD1 3.83Å; F203-L224 HydrophobicContact CG-CB 3.76Å; F203-L224 HydrophobicContact CG-CD2 4.28Å; F203-L224 HydrophobicContact CG-CG 4.42Å; F203-L224 HydrophobicContact CZ-CB 4.05Å; F203-L224 HydrophobicContact CZ-CD1 4.25Å; F203-I402 HydrophobicContact CE2-CD1 4.09Å
204	A	91.4	Very high	88.1	Confident	48 Å²	48	30.5 Å²	30.5	40%	0.397	17%	0.166	S	C	.	.	S	Bend	trans	-70.2	-32.3	178.9	0	0	0	0	0	112.6	F196 L225 P226	F196-A204 WeakPolarHBondContact CD1-O 3.26Å; A204-L225 PolarHBondContact N-O 3.32Å; A204-P226 WeakPolarHBondContact CB-O 3.19Å
205	Q	93.3	Very high	87.9	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.7	-178.2	65.3	-179.9	-35	0	0	113.6	F196 F203 L225 N227 Y233	F196-Q205 HydrophobicContact CD1-CB 3.87Å; F196-Q205 HydrophobicContact CE1-CB 3.7Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 2.95Å; Q205-L225 HydrophobicContact CG-CB 3.78Å; Q205-L225 HydrophobicContact CG-CD1 4.24Å; Q205-L225 HydrophobicContact CG-CG 4.35Å; Q205-L225 PolarHBondContact N-O 2.9Å; Q205-L225 PolarHBondContact O-N 3.05Å; Q205-N227 PolarHBondContact NE2-O 3.09Å; Q205-Y233 PolarHBondContact NE2-OH 3.21Å; Q205-Y233 PolarHBondContact OE1-OH 2.67Å
206	V	93.1	Very high	88.2	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	162.4	175.2	0	0	0	0	107.6	G194 T195 I198 A199 V208 A223 L224 F405	G194-V206 CarbonylContact C-O 3.49Å; T195-V206 HydrophobicContact CG2-CB 3.93Å; T195-V206 HydrophobicContact CG2-CG1 4.28Å; T195-V206 PolarHBondContact N-O 3.31Å; T195-V206 PolarHBondContact O-N 3.02Å; I198-V206 HydrophobicContact CD1-CB 4.47Å; I198-V206 HydrophobicContact CD1-CG1 4.37Å; I198-V206 HydrophobicContact CG1-CB 4.38Å; I198-V206 HydrophobicContact CG1-CG2 4.25Å; A199-V206 HydrophobicContact CB-CG2 3.97Å; V206-V208 HydrophobicContact CG1-CG2 3.97Å; V206-A223 CarbonylContact C-O 3.49Å; V206-A223 VanDerWaalsContact CA-O 3.29Å; V206-A223 WeakPolarHBondContact CA-O 3.06Å; V206-L224 HydrophobicContact CG2-CD2 3.56Å; V206-F405 HydrophobicContact CB-CE2 4.21Å; V206-F405 HydrophobicContact CB-CZ 4.38Å; V206-F405 HydrophobicContact CG1-CE2 3.82Å; V206-F405 HydrophobicContact CG1-CZ 3.73Å; V206-F405 HydrophobicContact CG2-CD2 4.11Å; V206-F405 HydrophobicContact CG2-CE2 3.31Å; V206-F405 HydrophobicContact CG2-CZ 3.66Å
207	Y	94.7	Very high	88.6	Confident	8 Å²	8	25.3 Å²	25.3	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.2	174.1	-151.8	-103.4	0	0	0	109.5	A192 I209 Y222 A223 L225 Y233 M236 F237 L254	A192-Y207 HydrophobicContact CB-CD1 4.2Å; A192-Y207 HydrophobicContact CB-CE1 3.33Å; Y207-I209 HydrophobicContact CD1-CG1 4.45Å; Y207-Y222 CarbonylContact O-C 3.52Å; Y207-Y222 WeakPolarHBondContact O-CA 3.49Å; Y207-A223 PolarHBondContact N-O 2.88Å; Y207-A223 PolarHBondContact O-N 2.78Å; Y207-L225 HydrophobicContact CD2-CD1 4.39Å; Y207-L225 HydrophobicContact CG-CD1 4.18Å; Y207-Y233 AromaticContact CD2-CE1 3.78Å; Y207-Y233 HydrophobicContact CD2-CE1 3.78Å; Y207-Y233 HydrophobicContact CE2-CD1 4.39Å; Y207-Y233 AromaticContact CE2-CE1 3.66Å; Y207-Y233 HydrophobicContact CE2-CE1 3.66Å; Y207-Y233 HydrophobicContact CG-CE1 4.4Å; Y207-M236 HydrophobicContact CD1-CE 3.52Å; Y207-M236 HydrophobicContact CD1-SD 3.68Å; Y207-M236 HydrophobicContact CE1-CE 3.73Å; Y207-M236 HydrophobicContact CE1-SD 4.49Å; Y207-M236 HydrophobicContact CG-CE 4.33Å; Y207-M236 HydrophobicContact CG-SD 4.1Å; Y207-F237 HydrophobicContact CE1-CZ 4.25Å; Y207-L254 VanDerWaalsContact OH-CD2 3.29Å; Y207-L254 WeakPolarHBondContact OH-CD2 3.46Å
208	V	93.8	Very high	89.2	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	-175.7	-176.5	0	0	0	0	108.7	A192 D193 T195 V206 M210 P219 L221 Y222 M391	A192-V208 VanDerWaalsContact CA-O 3.28Å; A192-V208 WeakPolarHBondContact CA-O 3.2Å; D193-V208 PolarHBondContact N-O 3.18Å; D193-V208 PolarHBondContact O-N 3Å; T195-V208 HydrophobicContact CG2-CG2 4.48Å; V206-V208 HydrophobicContact CG1-CG2 3.97Å; V208-M210 HydrophobicContact CG1-CE 4.49Å; V208-M210 HydrophobicContact CG1-CG 4.13Å; V208-P219 HydrophobicContact CG1-CB 4.18Å; V208-L221 WeakPolarHBondContact CA-O 3.43Å; V208-Y222 HydrophobicContact CG1-CD1 4.21Å; V208-Y222 HydrophobicContact CG1-CE1 4.28Å; V208-Y222 HydrophobicContact CG2-CD1 4.31Å; V208-M391 HydrophobicContact CB-CE 4.3Å; V208-M391 HydrophobicContact CG1-CE 3.7Å; V208-M391 HydrophobicContact CG2-CE 3.65Å; V208-M391 HydrophobicContact CG2-SD 4Å
209	I	95.1	Very high	89.8	Confident	2 Å²	2	18 Å²	18	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.3	171.5	-55.2	171.2	0	0	0	108.3	I190 A192 Y207 V220 L221 F237 I240	I190-I209 HydrophobicContact CB-CG2 4.28Å; I190-I209 HydrophobicContact CD1-CG2 4.27Å; I190-I209 HydrophobicContact CG2-CG2 4.45Å; A192-I209 HydrophobicContact CB-CG1 3.93Å; Y207-I209 HydrophobicContact CD1-CG1 4.45Å; I209-V220 HydrophobicContact CG2-CG2 4.34Å; I209-V220 WeakPolarHBondContact O-CG2 3.3Å; I209-V220 PolarHBondContact O-N 2.88Å; I209-L221 HydrophobicContact CB-CB 4.11Å; I209-L221 HydrophobicContact CB-CD1 4.41Å; I209-L221 HydrophobicContact CD1-CB 4.33Å; I209-L221 HydrophobicContact CD1-CD1 3.91Å; I209-L221 HydrophobicContact CG1-CB 4.49Å; I209-L221 PolarHBondContact N-O 3.03Å; I209-L221 PolarHBondContact O-N 2.92Å; I209-F237 HydrophobicContact CD1-CE1 4.18Å; I209-I240 HydrophobicContact CD1-CD1 3.32Å
210	M	93.2	Very high	90.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.1	177	-66.8	157.5	-74.2	0	0	109.6	I190 V191 V208 V217 L218 P219 V384 T387	I190-M210 CarbonylContact C-O 3.53Å; I190-M210 WeakPolarHBondContact CA-O 3.4Å; I190-M210 WeakPolarHBondContact CB-O 3.29Å; V191-M210 HydrophobicContact CB-CE 4.26Å; V191-M210 HydrophobicContact CG1-CE 4.06Å; V191-M210 PolarHBondContact N-O 3.2Å; V191-M210 PolarHBondContact O-N 2.72Å; V208-M210 HydrophobicContact CG1-CE 4.49Å; V208-M210 HydrophobicContact CG1-CG 4.13Å; M210-V217 HydrophobicContact CB-CG1 3.82Å; M210-L218 CarbonylContact C-O 3.59Å; M210-L218 WeakPolarHBondContact CA-O 3.38Å; M210-P219 HydrophobicContact CG-CB 3.98Å; M210-V384 HydrophobicContact CE-CB 4.22Å; M210-V384 HydrophobicContact CE-CG1 4Å; M210-V384 HydrophobicContact CE-CG2 3.75Å; M210-V384 HydrophobicContact SD-CG2 4.19Å; M210-T387 HydrophobicContact SD-CG2 3.89Å
211	A	93.6	Very high	90.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137	177.2	0	0	0	0	0	110.9	M187 I190 V217 L218 V220	M187-A211 HydrophobicContact CB-CB 3.8Å; M187-A211 HydrophobicContact CG-CB 3.65Å; M187-A211 HydrophobicContact SD-CB 4.06Å; I190-A211 HydrophobicContact CG2-CB 4.12Å; A211-V217 WeakPolarHBondContact O-CA 3.19Å; A211-L218 PolarHBondContact N-O 3.03Å; A211-L218 PolarHBondContact O-N 2.82Å; A211-V220 HydrophobicContact CB-CG1 4.13Å; A211-V220 HydrophobicContact CB-CG2 4.15Å
212	E	90.5	Very high	91.3	Very high	47 Å²	47	13.5 Å²	13.5	22%	0.22	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138	168.4	-172	-80.4	140.4	0	0	110.3	H189 G214 G215 F216 V217 M380	H189-E212 HydrophobicContact CB-CB 4.15Å; H189-E212 IonicContact CD2-OE2 3.55Å; H189-E212 PolarHBondContact O-N 3.24Å; E212-G214 PolarHBondContact OE1-N 2.98Å; E212-G215 WeakPolarHBondContact OE1-CA 3.39Å; E212-G215 PolarHBondContact OE1-N 3.44Å; E212-F216 CarbonylContact C-O 3.58Å; E212-F216 VanDerWaalsContact CA-O 3.23Å; E212-F216 WeakPolarHBondContact CA-O 3.32Å; E212-V217 HydrophobicContact CB-CG2 4.38Å; E212-V217 HydrophobicContact CG-CG2 4.37Å; E212-M380 HydrophobicContact CB-CE 3.86Å; E212-M380 HydrophobicContact CB-CG 4.47Å; E212-M380 HydrophobicContact CB-SD 4.04Å
213	R	89.6	Confident	92	Very high	57 Å²	57	12.2 Å²	12.2	22%	0.215	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	110.4	173.3	-170.4	64.8	174	161.6	-3	110.3	Q186 G215 F216 Y420 Y423	Q186-R213 VanDerWaalsContact OE1-CZ 3.32Å; R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 3.48Å; R213-F216 PolarHBondContact N-O 2.81Å; R213-F216 WeakPolarHBondContact O-CB 3.5Å; R213-F216 PolarHBondContact O-N 2.74Å; R213-Y420 HydrophobicContact CG-CE2 4.47Å; R213-Y423 HydrophobicContact CG-CD1 3.95Å; R213-Y423 HydrophobicContact CG-CE1 3.56Å; R213-Y423 HydrophobicContact CG-CE2 4.31Å; R213-Y423 HydrophobicContact CG-CG 4.47Å; R213-Y423 PolarHBondContact NE-OH 2.93Å
214	G	85.4	Confident	92.2	Very high	41 Å²	41	11.7 Å²	11.7	42%	0.423	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	33.3	175.2	0	0	0	0	0	114.2	E212 F216	E212-G214 PolarHBondContact OE1-N 2.98Å; G214-F216 VanDerWaalsContact C-N 3.27Å; G214-F216 PolarHBondContact O-N 3.4Å
215	G	82.9	Confident	92.4	Very high	18 Å²	18	9.4 Å²	9.4	19%	0.186	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.4	-175	0	0	0	0	0	114.8	E212 R213 F383 P429	E212-G215 WeakPolarHBondContact OE1-CA 3.39Å; E212-G215 PolarHBondContact OE1-N 3.44Å; R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 3.48Å; G215-F383 WeakPolarHBondContact O-CZ 3.35Å; G215-P429 WeakPolarHBondContact O-CB 3.38Å
216	F	87.5	Confident	92.4	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.013	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.5	167.9	-64.8	-104.3	0	0	0	109.6	E212 R213 G214 L218 E419 R422 Y423 V427 P429	E212-F216 CarbonylContact C-O 3.58Å; E212-F216 VanDerWaalsContact CA-O 3.23Å; E212-F216 WeakPolarHBondContact CA-O 3.32Å; R213-F216 PolarHBondContact N-O 2.81Å; R213-F216 WeakPolarHBondContact O-CB 3.5Å; R213-F216 PolarHBondContact O-N 2.74Å; G214-F216 VanDerWaalsContact C-N 3.27Å; G214-F216 PolarHBondContact O-N 3.4Å; F216-L218 HydrophobicContact CB-CD2 4.21Å; F216-L218 HydrophobicContact CB-CG 4.35Å; F216-E419 HydrophobicContact CD1-CB 4.27Å; F216-R422 HydrophobicContact CE1-CB 4.36Å; F216-R422 HydrophobicContact CZ-CB 4.42Å; F216-Y423 HydrophobicContact CD2-CD2 4.06Å; F216-Y423 HydrophobicContact CD2-CG 4.24Å; F216-Y423 HydrophobicContact CE2-CD2 4.23Å; F216-Y423 HydrophobicContact CE2-CG 4.45Å; F216-V427 VanDerWaalsContact CE2-O 3.26Å; F216-V427 WeakPolarHBondContact CE2-O 3.49Å; F216-V427 VanDerWaalsContact CZ-O 3.23Å; F216-V427 WeakPolarHBondContact CZ-O 3.45Å; F216-P429 HydrophobicContact CD1-CB 4.45Å; F216-P429 HydrophobicContact CD2-CB 3.96Å; F216-P429 HydrophobicContact CE1-CB 4.45Å; F216-P429 HydrophobicContact CE2-CB 3.94Å; F216-P429 HydrophobicContact CG-CB 4.23Å; F216-P429 VanDerWaalsContact CZ-CA 3.5Å; F216-P429 HydrophobicContact CZ-CB 4.21Å
217	V	88.1	Confident	92.4	Very high	6 Å²	6	11.3 Å²	11.3	4%	0.036	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.1	172.9	176	0	0	0	0	107.8	M210 A211 E212 M380 F383	M210-V217 HydrophobicContact CB-CG1 3.82Å; A211-V217 WeakPolarHBondContact O-CA 3.19Å; E212-V217 HydrophobicContact CB-CG2 4.38Å; E212-V217 HydrophobicContact CG-CG2 4.37Å; V217-M380 HydrophobicContact CG1-CE 4.27Å; V217-M380 HydrophobicContact CG2-CB 4.47Å; V217-M380 HydrophobicContact CG2-CE 4.44Å; V217-M380 HydrophobicContact CG2-CG 4.19Å; V217-F383 HydrophobicContact CB-CB 3.47Å; V217-F383 VanDerWaalsContact CB-CB 3.47Å; V217-F383 HydrophobicContact CB-CD1 3.89Å; V217-F383 HydrophobicContact CB-CD2 3.99Å; V217-F383 HydrophobicContact CB-CG 3.54Å; V217-F383 HydrophobicContact CG1-CB 3.69Å; V217-F383 HydrophobicContact CG1-CG 4.32Å; V217-F383 HydrophobicContact CG2-CB 3.76Å; V217-F383 HydrophobicContact CG2-CD1 4.18Å; V217-F383 HydrophobicContact CG2-CD2 3.41Å; V217-F383 VanDerWaalsContact CG2-CD2 3.41Å; V217-F383 HydrophobicContact CG2-CE2 3.95Å; V217-F383 HydrophobicContact CG2-CG 3.53Å
218	L	90	Very high	92.4	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.7	-165.9	-55.7	172.3	0	0	0	109.2	W183 M210 A211 F216 V220 E419 Y420	W183-L218 HydrophobicContact CH2-CD1 4.24Å; M210-L218 CarbonylContact C-O 3.59Å; M210-L218 WeakPolarHBondContact CA-O 3.38Å; A211-L218 PolarHBondContact N-O 3.03Å; A211-L218 PolarHBondContact O-N 2.82Å; F216-L218 HydrophobicContact CB-CD2 4.21Å; F216-L218 HydrophobicContact CB-CG 4.35Å; L218-V220 HydrophobicContact CB-CG1 4.37Å; L218-V220 PolarHBondContact O-N 2.83Å; L218-E419 HydrophobicContact CD2-CB 3.55Å; L218-Y420 HydrophobicContact CD1-CD2 3.59Å; L218-Y420 HydrophobicContact CD1-CG 4.22Å
219	P	92.4	Very high	92.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.6	169.7	30.4	-33.1	0	0	0	109.2	V208 M210 Y222 T387 I412	V208-P219 HydrophobicContact CG1-CB 4.18Å; M210-P219 HydrophobicContact CG-CB 3.98Å; P219-Y222 HydrophobicContact CB-CE1 4.01Å; P219-Y222 WeakPolarHBondContact CB-OH 3.43Å; P219-Y222 WeakPolarHBondContact CG-OH 3.44Å; P219-Y222 PolarHBondContact O-OH 3.27Å; P219-T387 HydrophobicContact CB-CG2 4.19Å; P219-T387 HydrophobicContact CG-CG2 4.25Å; P219-I412 HydrophobicContact CB-CG2 4.47Å; P219-I412 HydrophobicContact CG-CG2 3.78Å
220	V	95.2	Very high	92.6	Very high	4 Å²	4	24 Å²	24	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-28.5	-171.8	-69	0	0	0	0	113.2	W183 M187 I209 A211 L218 W244	W183-V220 HydrophobicContact CH2-CG1 3.97Å; W183-V220 HydrophobicContact CZ2-CG1 4.25Å; M187-V220 HydrophobicContact CE-CB 4.37Å; M187-V220 HydrophobicContact CE-CG1 4.06Å; M187-V220 HydrophobicContact SD-CG1 4.48Å; M187-V220 HydrophobicContact SD-CG2 4.2Å; I209-V220 HydrophobicContact CG2-CG2 4.34Å; I209-V220 WeakPolarHBondContact O-CG2 3.3Å; I209-V220 PolarHBondContact O-N 2.88Å; A211-V220 HydrophobicContact CB-CG1 4.13Å; A211-V220 HydrophobicContact CB-CG2 4.15Å; L218-V220 HydrophobicContact CB-CG1 4.37Å; L218-V220 PolarHBondContact O-N 2.83Å; V220-W244 HydrophobicContact CB-CH2 4.24Å; V220-W244 HydrophobicContact CB-CZ3 4.48Å; V220-W244 HydrophobicContact CG2-CZ3 4.45Å
221	L	97.1	Very high	92.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.1	179.4	-63	158	0	0	0	111.1	L161 V174 F175 V208 I209 I240 W244	L161-L221 HydrophobicContact CD1-CD2 3.58Å; V174-L221 HydrophobicContact CG1-CD2 4.04Å; F175-L221 CarbonylContact O-C 3.49Å; F175-L221 VanDerWaalsContact O-CA 3.3Å; F175-L221 WeakPolarHBondContact O-CA 3.46Å; V208-L221 WeakPolarHBondContact CA-O 3.43Å; I209-L221 HydrophobicContact CB-CB 4.11Å; I209-L221 HydrophobicContact CB-CD1 4.41Å; I209-L221 HydrophobicContact CD1-CB 4.33Å; I209-L221 HydrophobicContact CD1-CD1 3.91Å; I209-L221 HydrophobicContact CG1-CB 4.49Å; I209-L221 PolarHBondContact N-O 3.03Å; I209-L221 PolarHBondContact O-N 2.92Å; L221-I240 HydrophobicContact CD1-CB 4.41Å; L221-I240 HydrophobicContact CD1-CD1 3.95Å; L221-I240 HydrophobicContact CD1-CG1 3.95Å; L221-I240 HydrophobicContact CD1-CG2 3.55Å; L221-W244 HydrophobicContact CD1-CE3 4.01Å; L221-W244 HydrophobicContact CD1-CH2 3.99Å; L221-W244 HydrophobicContact CD1-CZ3 3.48Å; L221-W244 VanDerWaalsContact CD1-CZ3 3.48Å; L221-W244 HydrophobicContact CD2-CE3 4.38Å; L221-W244 HydrophobicContact CD2-CH2 3.4Å; L221-W244 VanDerWaalsContact CD2-CH2 3.4Å; L221-W244 HydrophobicContact CD2-CZ2 3.73Å; L221-W244 HydrophobicContact CD2-CZ3 3.77Å; L221-W244 HydrophobicContact CG-CE3 4.42Å; L221-W244 HydrophobicContact CG-CH2 3.5Å; L221-W244 HydrophobicContact CG-CZ2 4.34Å; L221-W244 HydrophobicContact CG-CZ3 3.56Å
222	Y	96.1	Very high	93	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	113.1	178.2	-43.7	-94.8	0	0	0	108.5	F175 Y207 V208 P219 M391 I409 I412	F175-Y222 PolarHBondContact N-O 2.88Å; F175-Y222 PolarHBondContact O-N 2.91Å; Y207-Y222 CarbonylContact O-C 3.52Å; Y207-Y222 WeakPolarHBondContact O-CA 3.49Å; V208-Y222 HydrophobicContact CG1-CD1 4.21Å; V208-Y222 HydrophobicContact CG1-CE1 4.28Å; V208-Y222 HydrophobicContact CG2-CD1 4.31Å; P219-Y222 HydrophobicContact CB-CE1 4.01Å; P219-Y222 WeakPolarHBondContact CB-OH 3.43Å; P219-Y222 WeakPolarHBondContact CG-OH 3.44Å; P219-Y222 PolarHBondContact O-OH 3.27Å; Y222-M391 HydrophobicContact CD1-CE 3.94Å; Y222-M391 HydrophobicContact CE1-CE 3.56Å; Y222-I409 HydrophobicContact CD1-CB 4.18Å; Y222-I409 HydrophobicContact CD1-CG2 3.83Å; Y222-I409 HydrophobicContact CD2-CB 4.17Å; Y222-I409 HydrophobicContact CD2-CD1 4.28Å; Y222-I409 HydrophobicContact CE1-CB 4.4Å; Y222-I409 HydrophobicContact CE1-CG2 4.34Å; Y222-I409 HydrophobicContact CE2-CB 4.42Å; Y222-I409 HydrophobicContact CG-CB 4.06Å; Y222-I409 HydrophobicContact CG-CD1 4.29Å; Y222-I409 HydrophobicContact CG-CG2 3.98Å; Y222-I412 HydrophobicContact CE1-CG2 4.09Å; Y222-I412 WeakPolarHBondContact OH-CG2 3.4Å
223	A	97.4	Very high	93.3	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.1	178.1	0	0	0	0	0	111.3	L173 V174 V206 Y207 L225 M236	L173-A223 CarbonylContact O-C 3.58Å; L173-A223 WeakPolarHBondContact O-CA 3.23Å; V174-A223 HydrophobicContact CG2-CB 4.11Å; V206-A223 CarbonylContact C-O 3.49Å; V206-A223 VanDerWaalsContact CA-O 3.29Å; V206-A223 WeakPolarHBondContact CA-O 3.06Å; Y207-A223 PolarHBondContact N-O 2.88Å; Y207-A223 PolarHBondContact O-N 2.78Å; A223-L225 HydrophobicContact CB-CD2 3.98Å; A223-L225 HydrophobicContact CB-CG 4.38Å; A223-M236 HydrophobicContact CB-CG 3.83Å; A223-M236 HydrophobicContact CB-SD 3.5Å; A223-M236 WeakPolarHBondContact CB-SD 3.29Å
224	L	95.8	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	167.2	-70.6	175.5	0	0	0	108.4	L173 F175 P200 F203 V206 I402 F405	L173-L224 HydrophobicContact CB-CB 4.23Å; L173-L224 HydrophobicContact CD1-CD1 4.07Å; L173-L224 PolarHBondContact N-O 2.93Å; L173-L224 PolarHBondContact O-N 3.01Å; F175-L224 HydrophobicContact CE2-CD1 4.16Å; P200-L224 HydrophobicContact CG-CD1 4.22Å; P200-L224 HydrophobicContact CG-CD2 3.94Å; F203-L224 HydrophobicContact CB-CB 4.4Å; F203-L224 HydrophobicContact CB-CD2 4.32Å; F203-L224 HydrophobicContact CD1-CB 3.61Å; F203-L224 HydrophobicContact CD2-CB 4.06Å; F203-L224 HydrophobicContact CD2-CD1 3.96Å; F203-L224 HydrophobicContact CD2-CD2 4.28Å; F203-L224 HydrophobicContact CD2-CG 4.35Å; F203-L224 HydrophobicContact CE1-CB 3.75Å; F203-L224 HydrophobicContact CE2-CB 4.2Å; F203-L224 HydrophobicContact CE2-CD1 3.83Å; F203-L224 HydrophobicContact CG-CB 3.76Å; F203-L224 HydrophobicContact CG-CD2 4.28Å; F203-L224 HydrophobicContact CG-CG 4.42Å; F203-L224 HydrophobicContact CZ-CB 4.05Å; F203-L224 HydrophobicContact CZ-CD1 4.25Å; V206-L224 HydrophobicContact CG2-CD2 3.56Å; L224-I402 HydrophobicContact CD1-CD1 4.34Å; L224-I402 HydrophobicContact CD1-CG1 4.26Å; L224-F405 HydrophobicContact CD1-CD1 3.88Å; L224-F405 HydrophobicContact CD1-CE1 3.8Å; L224-F405 HydrophobicContact CD2-CD1 4.08Å; L224-F405 HydrophobicContact CD2-CE1 3.67Å; L224-F405 HydrophobicContact CD2-CE2 4.33Å; L224-F405 HydrophobicContact CD2-CZ 3.81Å; L224-F405 HydrophobicContact CG-CD1 4.24Å; L224-F405 HydrophobicContact CG-CE1 3.71Å; L224-F405 HydrophobicContact CG-CZ 4.22Å
225	L	95.9	Very high	94.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.6	-174.4	-53.4	-177.9	0	0	0	111.2	I172 A204 Q205 Y207 A223 N227 T232 Y233 M236	I172-L225 HydrophobicContact CG1-CD2 4.17Å; I172-L225 HydrophobicContact CG2-CD2 3.88Å; A204-L225 PolarHBondContact N-O 3.32Å; Q205-L225 HydrophobicContact CG-CB 3.78Å; Q205-L225 HydrophobicContact CG-CD1 4.24Å; Q205-L225 HydrophobicContact CG-CG 4.35Å; Q205-L225 PolarHBondContact N-O 2.9Å; Q205-L225 PolarHBondContact O-N 3.05Å; Y207-L225 HydrophobicContact CD2-CD1 4.39Å; Y207-L225 HydrophobicContact CG-CD1 4.18Å; A223-L225 HydrophobicContact CB-CD2 3.98Å; A223-L225 HydrophobicContact CB-CG 4.38Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-T232 HydrophobicContact CB-CG2 4.05Å; L225-T232 HydrophobicContact CD1-CG2 4.49Å; L225-T232 HydrophobicContact CD2-CG2 4.15Å; L225-T232 HydrophobicContact CG-CG2 4.46Å; L225-Y233 HydrophobicContact CD1-CD1 3.82Å; L225-Y233 HydrophobicContact CD1-CE1 3.58Å; L225-M236 HydrophobicContact CD1-SD 3.94Å; L225-M236 HydrophobicContact CD2-CB 4.03Å; L225-M236 HydrophobicContact CD2-CG 4.12Å; L225-M236 HydrophobicContact CD2-SD 3.93Å; L225-M236 HydrophobicContact CG-SD 4.38Å
226	P	93.5	Very high	95	Very high	22 Å²	22	28.2 Å²	28.2	14%	0.143	13%	0.132	C	C	.	.	S	Bend	trans	-76.1	-22.7	-177.6	32.4	-38.3	0	0	0	112.8	Q170 R171 A204 T232	Q170-P226 HydrophobicContact CB-CG 4.15Å; R171-P226 WeakPolarHBondContact O-CD 3.49Å; A204-P226 WeakPolarHBondContact CB-O 3.19Å; P226-T232 HydrophobicContact CG-CG2 4.06Å
227	N	93.7	Very high	95.5	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.107	13%	0.131	C	C	.	.			trans	-159.8	-170.9	-176.6	64.1	55.1	0	0	0	110.7	Q170 Q205 L225 H229 T232	Q170-N227 PolarHBondContact OE1-ND2 3.17Å; Q205-N227 PolarHBondContact NE2-O 3.09Å; L225-N227 VanDerWaalsContact C-N 3.35Å; N227-H229 PolarHBondContact ND2-CD2 3.43Å; N227-H229 VanDerWaalsContact OD1-CB 3.32Å; N227-H229 WeakPolarHBondContact OD1-CB 3.44Å; N227-H229 PolarHBondContact OD1-CD2 3.06Å; N227-H229 VanDerWaalsContact OD1-CD2 3.28Å; N227-H229 PolarHBondContact OD1-N 2.86Å; N227-T232 VanDerWaalsContact CG-OG1 3.31Å; N227-T232 PolarHBondContact ND2-OG1 3.42Å; N227-T232 VanDerWaalsContact OD1-CB 3.29Å; N227-T232 WeakPolarHBondContact OD1-CB 3.38Å; N227-T232 PolarHBondContact OD1-OG1 3.4Å
228	K	94	Very high	96	Very high	87 Å²	87	32.4 Å²	32.4	38%	0.378	15%	0.151	S	C	.	.			trans	-114.3	23.4	179.4	-62.9	179	173.8	-168.3	0	113.4	F196 Y233	F196-K228 HydrophobicContact CE1-CD 4.44Å; K228-Y233 HydrophobicContact CB-CE2 4.4Å; K228-Y233 WeakPolarHBondContact O-CE2 2.95Å
229	H	96.2	Very high	96.4	Very high	126 Å²	126	32.5 Å²	32.5	58%	0.583	15%	0.152	S	C	*	.			trans	-77.6	148.9	179.9	-59.2	-46.3	0	0	0	110.9	N227 L231 T232 Y233	N227-H229 PolarHBondContact ND2-CD2 3.43Å; N227-H229 VanDerWaalsContact OD1-CB 3.32Å; N227-H229 WeakPolarHBondContact OD1-CB 3.44Å; N227-H229 PolarHBondContact OD1-CD2 3.06Å; N227-H229 VanDerWaalsContact OD1-CD2 3.28Å; N227-H229 PolarHBondContact OD1-N 2.86Å; H229-L231 VanDerWaalsContact C-N 3.26Å; H229-L231 PolarHBondContact O-N 2.82Å; H229-T232 VanDerWaalsContact O-CB 3.31Å; H229-T232 WeakPolarHBondContact O-CB 3.29Å; H229-T232 PolarHBondContact O-N 2.87Å; H229-Y233 WeakPolarHBondContact O-CD2 3.34Å; H229-Y233 PolarHBondContact O-N 2.81Å
230	E	97.3	Very high	96.6	Very high	63 Å²	63	32.6 Å²	32.6	29%	0.294	15%	0.152	S	C	.	.	H	α-helix	trans	-55.3	-41.9	179.2	-176.5	179	127.5	0	0	112.2	T232 Y233 R234 A259 N262 A263	E230-T232 VanDerWaalsContact C-N 3.25Å; E230-T232 PolarHBondContact O-N 3.07Å; E230-Y233 PolarHBondContact O-N 3.05Å; E230-R234 WeakPolarHBondContact O-CB 3.48Å; E230-R234 PolarHBondContact O-N 2.85Å; E230-R234 IonicContact OE1-CZ 3.72Å; E230-R234 IonicContact OE1-NH1 2.72Å; E230-R234 IonicContact OE1-NH2 3.71Å; E230-R234 PolarHBondContact OE1-NH2 3.08Å; E230-A259 HydrophobicContact CB-CB 3.9Å; E230-N262 HydrophobicContact CG-CB 4.11Å; E230-N262 WeakPolarHBondContact OE2-CB 3.34Å; E230-N262 PolarHBondContact OE2-ND2 2.91Å; E230-A263 HydrophobicContact CG-CB 4.47Å
231	L	96.9	Very high	96.7	Very high	110 Å²	110	36.1 Å²	36.1	58%	0.576	17%	0.167	S	C	*	.	H	α-helix	trans	-59.3	-36.9	177.5	-177.8	61.2	0	0	0	112.3	H229 R234 R235	H229-L231 VanDerWaalsContact C-N 3.26Å; H229-L231 PolarHBondContact O-N 2.82Å; L231-R234 PolarHBondContact O-N 3.39Å; L231-R235 HydrophobicContact CD1-CG 4.49Å; L231-R235 WeakPolarHBondContact O-CB 3.31Å; L231-R235 VanDerWaalsContact O-CG 3.28Å; L231-R235 WeakPolarHBondContact O-CG 3.32Å; L231-R235 PolarHBondContact O-N 2.88Å
232	T	97.4	Very high	96.7	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-45.2	178.2	-60.1	0	0	0	0	111.2	I172 L225 P226 N227 H229 E230 R234 R235 M236	I172-T232 HydrophobicContact CD1-CG2 4.02Å; I172-T232 HydrophobicContact CG1-CG2 4.29Å; L225-T232 HydrophobicContact CB-CG2 4.05Å; L225-T232 HydrophobicContact CD1-CG2 4.49Å; L225-T232 HydrophobicContact CD2-CG2 4.15Å; L225-T232 HydrophobicContact CG-CG2 4.46Å; P226-T232 HydrophobicContact CG-CG2 4.06Å; N227-T232 VanDerWaalsContact CG-OG1 3.31Å; N227-T232 PolarHBondContact ND2-OG1 3.42Å; N227-T232 VanDerWaalsContact OD1-CB 3.29Å; N227-T232 WeakPolarHBondContact OD1-CB 3.38Å; N227-T232 PolarHBondContact OD1-OG1 3.4Å; H229-T232 VanDerWaalsContact O-CB 3.31Å; H229-T232 WeakPolarHBondContact O-CB 3.29Å; H229-T232 PolarHBondContact O-N 2.87Å; E230-T232 VanDerWaalsContact C-N 3.25Å; E230-T232 PolarHBondContact O-N 3.07Å; T232-R234 VanDerWaalsContact C-N 3.35Å; T232-R235 PolarHBondContact O-N 3.34Å; T232-M236 PolarHBondContact O-N 3.33Å
233	Y	97.8	Very high	96.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-40.3	175	-67.7	-63.8	0	0	0	112.2	Q205 Y207 L225 K228 H229 E230 M236 F237 E257 A259 A260 A263	Q205-Y233 PolarHBondContact NE2-OH 3.21Å; Q205-Y233 PolarHBondContact OE1-OH 2.67Å; Y207-Y233 AromaticContact CD2-CE1 3.78Å; Y207-Y233 HydrophobicContact CD2-CE1 3.78Å; Y207-Y233 HydrophobicContact CE2-CD1 4.39Å; Y207-Y233 AromaticContact CE2-CE1 3.66Å; Y207-Y233 HydrophobicContact CE2-CE1 3.66Å; Y207-Y233 HydrophobicContact CG-CE1 4.4Å; L225-Y233 HydrophobicContact CD1-CD1 3.82Å; L225-Y233 HydrophobicContact CD1-CE1 3.58Å; K228-Y233 HydrophobicContact CB-CE2 4.4Å; K228-Y233 WeakPolarHBondContact O-CE2 2.95Å; H229-Y233 WeakPolarHBondContact O-CD2 3.34Å; H229-Y233 PolarHBondContact O-N 2.81Å; E230-Y233 PolarHBondContact O-N 3.05Å; Y233-M236 HydrophobicContact CD1-CE 4.17Å; Y233-M236 WeakPolarHBondContact O-CB 3.46Å; Y233-M236 PolarHBondContact O-N 2.85Å; Y233-F237 WeakPolarHBondContact O-CD2 3.48Å; Y233-F237 PolarHBondContact O-N 2.93Å; Y233-E257 WeakPolarHBondContact CE2-OE1 3.43Å; Y233-E257 PolarHBondContact OH-OE1 3.02Å; Y233-A259 HydrophobicContact CD2-CB 4.04Å; Y233-A259 HydrophobicContact CE2-CB 4.12Å; Y233-A260 HydrophobicContact CD1-CB 4.32Å; Y233-A260 HydrophobicContact CD2-CB 4.11Å; Y233-A260 HydrophobicContact CE1-CB 4.35Å; Y233-A260 HydrophobicContact CE2-CB 4.11Å; Y233-A260 HydrophobicContact CG-CB 4.2Å; Y233-A263 VanDerWaalsContact CB-CB 3.44Å
234	R	97.7	Very high	96.7	Very high	68 Å²	68	41.8 Å²	41.8	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-50.6	177	-177.9	178	-66.7	125.9	5.8	110.7	E230 L231 T232 M236 F237 E238 A263	E230-R234 WeakPolarHBondContact O-CB 3.48Å; E230-R234 PolarHBondContact O-N 2.85Å; E230-R234 IonicContact OE1-CZ 3.72Å; E230-R234 IonicContact OE1-NH1 2.72Å; E230-R234 IonicContact OE1-NH2 3.71Å; E230-R234 PolarHBondContact OE1-NH2 3.08Å; L231-R234 PolarHBondContact O-N 3.39Å; T232-R234 VanDerWaalsContact C-N 3.35Å; R234-M236 VanDerWaalsContact C-N 3.29Å; R234-M236 PolarHBondContact O-N 2.86Å; R234-F237 PolarHBondContact O-N 3.42Å; R234-E238 WeakPolarHBondContact CD-OE1 3.46Å; R234-E238 HydrophobicContact CG-CG 4.3Å; R234-E238 WeakPolarHBondContact CG-OE1 3.29Å; R234-E238 WeakPolarHBondContact O-CB 3.45Å; R234-E238 VanDerWaalsContact O-CG 3.29Å; R234-E238 WeakPolarHBondContact O-CG 3.37Å; R234-E238 PolarHBondContact O-N 3.27Å; R234-A263 HydrophobicContact CB-CB 4.13Å
235	R	97.6	Very high	96.7	Very high	67 Å²	67	46.8 Å²	46.8	25%	0.253	25%	0.246	S	C	.	.	H	α-helix	trans	-56.3	-42.1	175.1	-72.8	174.1	72.5	-154.8	4.2	112.1	D168 Q170 I172 L231 T232 S239	D168-R235 IonicContact OD2-CZ 2.7Å; D168-R235 IonicContact OD2-NH1 3.77Å; D168-R235 IonicContact OD2-NH2 3.52Å; D168-R235 PolarHBondContact OD2-NH2 2.97Å; Q170-R235 PolarHBondContact O-NH1 3.34Å; I172-R235 HydrophobicContact CD1-CB 3.57Å; L231-R235 HydrophobicContact CD1-CG 4.49Å; L231-R235 WeakPolarHBondContact O-CB 3.31Å; L231-R235 VanDerWaalsContact O-CG 3.28Å; L231-R235 WeakPolarHBondContact O-CG 3.32Å; L231-R235 PolarHBondContact O-N 2.88Å; T232-R235 PolarHBondContact O-N 3.34Å; R235-S239 VanDerWaalsContact O-CB 3.3Å; R235-S239 WeakPolarHBondContact O-CB 3.43Å; R235-S239 PolarHBondContact O-N 2.98Å; R235-S239 PolarHBondContact O-OG 2.5Å
236	M	98.1	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-53.4	176	177.9	-162.3	68.5	0	0	111.5	I172 V174 Y207 A223 L225 T232 Y233 R234 E238 S239 I240	I172-M236 HydrophobicContact CG2-CB 4.46Å; V174-M236 HydrophobicContact CG2-CG 4.29Å; Y207-M236 HydrophobicContact CD1-CE 3.52Å; Y207-M236 HydrophobicContact CD1-SD 3.68Å; Y207-M236 HydrophobicContact CE1-CE 3.73Å; Y207-M236 HydrophobicContact CE1-SD 4.49Å; Y207-M236 HydrophobicContact CG-CE 4.33Å; Y207-M236 HydrophobicContact CG-SD 4.1Å; A223-M236 HydrophobicContact CB-CG 3.83Å; A223-M236 HydrophobicContact CB-SD 3.5Å; A223-M236 WeakPolarHBondContact CB-SD 3.29Å; L225-M236 HydrophobicContact CD1-SD 3.94Å; L225-M236 HydrophobicContact CD2-CB 4.03Å; L225-M236 HydrophobicContact CD2-CG 4.12Å; L225-M236 HydrophobicContact CD2-SD 3.93Å; L225-M236 HydrophobicContact CG-SD 4.38Å; T232-M236 PolarHBondContact O-N 3.33Å; Y233-M236 HydrophobicContact CD1-CE 4.17Å; Y233-M236 WeakPolarHBondContact O-CB 3.46Å; Y233-M236 PolarHBondContact O-N 2.85Å; R234-M236 VanDerWaalsContact C-N 3.29Å; R234-M236 PolarHBondContact O-N 2.86Å; M236-E238 PolarHBondContact O-N 3.21Å; M236-S239 PolarHBondContact O-N 3.44Å; M236-S239 PolarHBondContact O-OG 2.84Å; M236-I240 HydrophobicContact CG-CD1 4.04Å; M236-I240 WeakPolarHBondContact O-CG1 3.47Å; M236-I240 PolarHBondContact O-N 3.2Å
237	F	98	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-40.7	-179.4	-73.1	-57.6	0	0	0	112.6	Y207 I209 Y233 R234 S239 I240 K241 I252 A263 A264 T267 F268	Y207-F237 HydrophobicContact CE1-CZ 4.25Å; I209-F237 HydrophobicContact CD1-CE1 4.18Å; Y233-F237 WeakPolarHBondContact O-CD2 3.48Å; Y233-F237 PolarHBondContact O-N 2.93Å; R234-F237 PolarHBondContact O-N 3.42Å; F237-S239 VanDerWaalsContact C-N 3.33Å; F237-S239 PolarHBondContact O-N 2.77Å; F237-I240 HydrophobicContact CD1-CD1 4.37Å; F237-I240 WeakPolarHBondContact O-CB 3.28Å; F237-I240 PolarHBondContact O-N 3.15Å; F237-K241 PolarHBondContact O-N 2.98Å; F237-I252 HydrophobicContact CE1-CD1 4.12Å; F237-I252 HydrophobicContact CZ-CD1 3.98Å; F237-A263 HydrophobicContact CD2-CB 4.04Å; F237-A263 HydrophobicContact CE2-CB 4.29Å; F237-A264 HydrophobicContact CD2-CB 4.46Å; F237-A264 HydrophobicContact CE2-CB 3.94Å; F237-A264 HydrophobicContact CZ-CB 4.19Å; F237-T267 HydrophobicContact CB-CG2 3.81Å; F237-F268 HydrophobicContact CB-CE2 4.01Å; F237-F268 HydrophobicContact CB-CZ 4.49Å; F237-F268 AromaticContact CD1-CE2 3.82Å; F237-F268 HydrophobicContact CD1-CE2 3.82Å; F237-F268 HydrophobicContact CG-CE2 4.1Å
238	E	98	Very high	96.9	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-41.8	174.6	-73.7	169.6	175	0	0	111.5	R234 M236 I240 K241 A242 T267	R234-E238 WeakPolarHBondContact CD-OE1 3.46Å; R234-E238 HydrophobicContact CG-CG 4.3Å; R234-E238 WeakPolarHBondContact CG-OE1 3.29Å; R234-E238 WeakPolarHBondContact O-CB 3.45Å; R234-E238 VanDerWaalsContact O-CG 3.29Å; R234-E238 WeakPolarHBondContact O-CG 3.37Å; R234-E238 PolarHBondContact O-N 3.27Å; M236-E238 PolarHBondContact O-N 3.21Å; E238-I240 VanDerWaalsContact C-N 3.31Å; E238-I240 PolarHBondContact O-N 2.87Å; E238-K241 PolarHBondContact O-N 3.47Å; E238-A242 WeakPolarHBondContact O-CB 3.35Å; E238-A242 PolarHBondContact O-N 2.99Å; E238-T267 HydrophobicContact CG-CG2 4.18Å
239	S	97.7	Very high	97.1	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-35	176.4	75.7	0	0	0	0	113	R235 M236 F237 A242 A243	R235-S239 VanDerWaalsContact O-CB 3.3Å; R235-S239 WeakPolarHBondContact O-CB 3.43Å; R235-S239 PolarHBondContact O-N 2.98Å; R235-S239 PolarHBondContact O-OG 2.5Å; M236-S239 PolarHBondContact O-N 3.44Å; M236-S239 PolarHBondContact O-OG 2.84Å; F237-S239 VanDerWaalsContact C-N 3.33Å; F237-S239 PolarHBondContact O-N 2.77Å; S239-A242 PolarHBondContact O-N 2.99Å; S239-A243 WeakPolarHBondContact O-CB 3.49Å; S239-A243 PolarHBondContact O-N 3.42Å
240	I	97.7	Very high	97	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-46.6	174.4	-68.8	159.6	0	0	0	110	V174 I209 L221 M236 F237 E238 A242 A243 W244 F247	V174-I240 HydrophobicContact CG1-CG1 4Å; I209-I240 HydrophobicContact CD1-CD1 3.32Å; L221-I240 HydrophobicContact CD1-CB 4.41Å; L221-I240 HydrophobicContact CD1-CD1 3.95Å; L221-I240 HydrophobicContact CD1-CG1 3.95Å; L221-I240 HydrophobicContact CD1-CG2 3.55Å; M236-I240 HydrophobicContact CG-CD1 4.04Å; M236-I240 WeakPolarHBondContact O-CG1 3.47Å; M236-I240 PolarHBondContact O-N 3.2Å; F237-I240 HydrophobicContact CD1-CD1 4.37Å; F237-I240 WeakPolarHBondContact O-CB 3.28Å; F237-I240 PolarHBondContact O-N 3.15Å; E238-I240 VanDerWaalsContact C-N 3.31Å; E238-I240 PolarHBondContact O-N 2.87Å; I240-A242 VanDerWaalsContact C-N 3.27Å; I240-A242 PolarHBondContact O-N 2.89Å; I240-A243 PolarHBondContact O-N 3.09Å; I240-A243 VanDerWaalsContact O-N 3.16Å; I240-W244 PolarHBondContact O-N 3.32Å; I240-F247 HydrophobicContact CG2-CD1 3.76Å; I240-F247 HydrophobicContact CG2-CE1 3.93Å; I240-F247 HydrophobicContact CG2-CG 4.35Å
241	K	96.3	Very high	96.8	Very high	79 Å²	79	45.4 Å²	45.4	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-36.6	176.8	-166.8	175.6	-169.9	172.4	0	111.7	F237 E238 W244 P245 T267 F268	F237-K241 PolarHBondContact O-N 2.98Å; E238-K241 PolarHBondContact O-N 3.47Å; K241-W244 CarbonylContact O-C 3.58Å; K241-W244 VanDerWaalsContact O-C 3.24Å; K241-P245 VanDerWaalsContact O-CA 3.25Å; K241-P245 WeakPolarHBondContact O-CA 3.5Å; K241-T267 HydrophobicContact CD-CG2 4.12Å; K241-T267 PolarHBondContact NZ-O 3.35Å; K241-F268 HydrophobicContact CB-CE1 4.34Å; K241-F268 HydrophobicContact CD-CE1 4.13Å; K241-F268 HydrophobicContact CG-CE1 4.33Å
242	A	96.8	Very high	96.7	Very high	80 Å²	80	40.1 Å²	40.1	66%	0.661	21%	0.214	S	C	*	.	H	α-helix	trans	-68	-40.4	174	0	0	0	0	0	112.4	E238 S239 I240	E238-A242 WeakPolarHBondContact O-CB 3.35Å; E238-A242 PolarHBondContact O-N 2.99Å; S239-A242 PolarHBondContact O-N 2.99Å; I240-A242 VanDerWaalsContact C-N 3.27Å; I240-A242 PolarHBondContact O-N 2.89Å
243	A	97	Very high	96.5	Very high	38 Å²	38	40.9 Å²	40.9	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-71	-38.6	178	0	0	0	0	0	112.5	L161 S239 I240	L161-A243 HydrophobicContact CB-CB 4.14Å; S239-A243 WeakPolarHBondContact O-CB 3.49Å; S239-A243 PolarHBondContact O-N 3.42Å; I240-A243 PolarHBondContact O-N 3.09Å; I240-A243 VanDerWaalsContact O-N 3.16Å
244	W	97.2	Very high	96.2	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.019	22%	0.218	C	C	.	.	S	Bend	trans	-124	83.4	179	-63	-16.3	0	0	0	110.2	L161 R177 A180 M187 V220 L221 I240 K241 Q246 F247	L161-W244 HydrophobicContact CD1-CZ2 3.67Å; R177-W244 VanDerWaalsContact O-CZ2 3.27Å; R177-W244 WeakPolarHBondContact O-CZ2 3.32Å; A180-W244 HydrophobicContact CB-CH2 3.98Å; A180-W244 HydrophobicContact CB-CZ2 3.85Å; M187-W244 HydrophobicContact CE-CH2 4.33Å; M187-W244 HydrophobicContact CE-CZ3 3.93Å; M187-W244 HydrophobicContact SD-CE3 4.44Å; M187-W244 HydrophobicContact SD-CZ3 3.96Å; V220-W244 HydrophobicContact CB-CH2 4.24Å; V220-W244 HydrophobicContact CB-CZ3 4.48Å; V220-W244 HydrophobicContact CG2-CZ3 4.45Å; L221-W244 HydrophobicContact CD1-CE3 4.01Å; L221-W244 HydrophobicContact CD1-CH2 3.99Å; L221-W244 HydrophobicContact CD1-CZ3 3.48Å; L221-W244 VanDerWaalsContact CD1-CZ3 3.48Å; L221-W244 HydrophobicContact CD2-CE3 4.38Å; L221-W244 HydrophobicContact CD2-CH2 3.4Å; L221-W244 VanDerWaalsContact CD2-CH2 3.4Å; L221-W244 HydrophobicContact CD2-CZ2 3.73Å; L221-W244 HydrophobicContact CD2-CZ3 3.77Å; L221-W244 HydrophobicContact CG-CE3 4.42Å; L221-W244 HydrophobicContact CG-CH2 3.5Å; L221-W244 HydrophobicContact CG-CZ2 4.34Å; L221-W244 HydrophobicContact CG-CZ3 3.56Å; I240-W244 PolarHBondContact O-N 3.32Å; K241-W244 CarbonylContact O-C 3.58Å; K241-W244 VanDerWaalsContact O-C 3.24Å; W244-Q246 PolarHBondContact O-N 2.87Å; W244-F247 HydrophobicContact CB-CB 3.88Å; W244-F247 HydrophobicContact CE3-CD2 4.2Å; W244-F247 HydrophobicContact CE3-CG 4.48Å; W244-F247 WeakPolarHBondContact O-CB 3.38Å; W244-F247 PolarHBondContact O-N 3.02Å
245	P	95.8	Very high	95.8	Very high	106 Å²	106	39.9 Å²	39.9	69%	0.688	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-173.6	-28.4	36.6	0	0	0	115.6	K241	K241-P245 VanDerWaalsContact O-CA 3.25Å; K241-P245 WeakPolarHBondContact O-CA 3.5Å
246	Q	95.8	Very high	95.4	Very high	119 Å²	119	36.8 Å²	36.8	56%	0.556	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.2	177.8	-58.9	-172.5	-0.8	0	0	113.4	S185 W244 D248	S185-Q246 VanDerWaalsContact CA-O 3.26Å; S185-Q246 WeakPolarHBondContact CA-O 3.47Å; S185-Q246 PolarHBondContact N-O 3.37Å; W244-Q246 PolarHBondContact O-N 2.87Å; Q246-D248 PolarHBondContact O-N 3.48Å; Q246-D248 VanDerWaalsContact O-N 3.13Å
247	F	96.8	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.			trans	-73.8	101.7	176.5	-174.3	-105.7	0	0	0	109.9	S184 M187 I190 I240 W244 P249 F268	S184-F247 PolarHBondContact OG-N 2.85Å; S184-F247 VanDerWaalsContact OG-N 3.15Å; M187-F247 HydrophobicContact CB-CD2 4.25Å; M187-F247 HydrophobicContact CB-CE2 3.95Å; M187-F247 HydrophobicContact SD-CD2 3.88Å; M187-F247 HydrophobicContact SD-CE2 3.73Å; I190-F247 HydrophobicContact CD1-CE1 4.47Å; I190-F247 HydrophobicContact CD1-CZ 3.94Å; I190-F247 HydrophobicContact CG2-CE2 4.27Å; I190-F247 HydrophobicContact CG2-CZ 4.23Å; I240-F247 HydrophobicContact CG2-CD1 3.76Å; I240-F247 HydrophobicContact CG2-CE1 3.93Å; I240-F247 HydrophobicContact CG2-CG 4.35Å; W244-F247 HydrophobicContact CB-CB 3.88Å; W244-F247 HydrophobicContact CE3-CD2 4.2Å; W244-F247 HydrophobicContact CE3-CG 4.48Å; W244-F247 WeakPolarHBondContact O-CB 3.38Å; W244-F247 PolarHBondContact O-N 3.02Å; F247-P249 HydrophobicContact CE1-CG 4.25Å; F247-P249 HydrophobicContact CZ-CG 4.43Å; F247-F268 AromaticContact CD1-CE1 3.9Å; F247-F268 HydrophobicContact CD1-CE1 3.9Å; F247-F268 AromaticContact CD1-CZ 3.76Å; F247-F268 HydrophobicContact CD1-CZ 3.76Å; F247-F268 HydrophobicContact CE1-CE1 4.29Å; F247-F268 HydrophobicContact CE1-CE2 4.43Å; F247-F268 AromaticContact CE1-CZ 3.8Å; F247-F268 HydrophobicContact CE1-CZ 3.8Å; F247-F268 WeakPolarHBondContact O-CE1 3.42Å
248	D	95.7	Very high	94.8	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	23%	0.232	S	C	.	.			trans	-139	83.6	178.8	-165.7	44.1	0	0	0	108.8	Q246	Q246-D248 PolarHBondContact O-N 3.48Å; Q246-D248 VanDerWaalsContact O-N 3.13Å
249	P	96.4	Very high	94.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.218	C	C	.	.			trans	-67.5	142.7	-177.7	28.3	-34.1	0	0	0	110.8	I190 F247 F268 V271	I190-P249 HydrophobicContact CD1-CB 3.86Å; I190-P249 HydrophobicContact CD1-CG 3.78Å; I190-P249 HydrophobicContact CG1-CB 3.79Å; I190-P249 HydrophobicContact CG1-CG 4.27Å; I190-P249 HydrophobicContact CG2-CB 4.4Å; F247-P249 HydrophobicContact CE1-CG 4.25Å; F247-P249 HydrophobicContact CZ-CG 4.43Å; P249-F268 HydrophobicContact CG-CD1 4.4Å; P249-F268 HydrophobicContact CG-CD2 4.39Å; P249-F268 HydrophobicContact CG-CG 4.27Å; P249-V271 HydrophobicContact CB-CG2 4.45Å; P249-V271 HydrophobicContact CG-CG2 4.19Å; P249-V271 WeakPolarHBondContact O-CG2 3.03Å
250	E	95.2	Very high	94.6	Very high	91 Å²	91	38.4 Å²	38.4	43%	0.425	22%	0.217	S	C	.	.	S	Bend	trans	-81.1	-33.8	174.6	-71.1	169.9	-156.1	0	0	111.1	K188 Q272	K188-E250 HydrophobicContact CB-CG 4.49Å; K188-E250 HydrophobicContact CD-CG 4.11Å; K188-E250 WeakPolarHBondContact CD-OE1 3.16Å; K188-E250 WeakPolarHBondContact CE-OE1 3.33Å; K188-E250 IonicContact NZ-OE1 2.66Å; K188-E250 PolarHBondContact NZ-OE1 3.21Å; K188-E250 VanDerWaalsContact NZ-OE1 3.14Å; K188-E250 PolarHBondContact O-N 3.44Å; E250-Q272 PolarHBondContact O-N 3.47Å
251	T	93.8	Very high	94.5	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.1	178.4	70.7	0	0	0	0	111.6	K188 H189 I190 Q272 Y274	K188-T251 PolarHBondContact O-N 3.17Å; H189-T251 PolarHBondContact ND1-OG1 3.46Å; I190-T251 WeakPolarHBondContact CG1-O 3.45Å; I190-T251 PolarHBondContact N-O 3.03Å; T251-Q272 CarbonylContact C-O 3.5Å; T251-Q272 VanDerWaalsContact CA-O 3.3Å; T251-Q272 WeakPolarHBondContact CA-O 3.18Å; T251-Q272 HydrophobicContact CG2-CB 4.32Å; T251-Y274 HydrophobicContact CG2-CE2 3.77Å
252	I	93.9	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.7	171.6	-171.5	173.1	0	0	0	110.3	I190 A192 F237 L254 A264 V271 Q272 V273 Y274	I190-I252 HydrophobicContact CD1-CB 4.01Å; I190-I252 HydrophobicContact CD1-CD1 3.66Å; I190-I252 HydrophobicContact CD1-CG1 3.68Å; I190-I252 HydrophobicContact CG1-CB 3.86Å; I190-I252 HydrophobicContact CG1-CD1 4.34Å; I190-I252 HydrophobicContact CG1-CG1 3.78Å; I190-I252 WeakPolarHBondContact O-CA 3.37Å; A192-I252 HydrophobicContact CB-CD1 4.46Å; F237-I252 HydrophobicContact CE1-CD1 4.12Å; F237-I252 HydrophobicContact CZ-CD1 3.98Å; I252-L254 HydrophobicContact CD1-CD1 4.17Å; I252-L254 HydrophobicContact CD1-CD2 3.69Å; I252-L254 HydrophobicContact CD1-CG 4.09Å; I252-L254 HydrophobicContact CG1-CD1 4.36Å; I252-L254 HydrophobicContact CG1-CD2 3.76Å; I252-L254 HydrophobicContact CG1-CG 3.89Å; I252-L254 HydrophobicContact CG2-CD1 4.46Å; I252-A264 HydrophobicContact CD1-CB 3.99Å; I252-A264 HydrophobicContact CG2-CB 4.24Å; I252-V271 HydrophobicContact CB-CG2 3.97Å; I252-V271 HydrophobicContact CG2-CG1 4.13Å; I252-V271 HydrophobicContact CG2-CG2 3.64Å; I252-Q272 PolarHBondContact N-O 3.08Å; I252-V273 HydrophobicContact CG2-CB 4.25Å; I252-V273 HydrophobicContact CG2-CG1 4.37Å; I252-V273 HydrophobicContact CG2-CG2 3.74Å; I252-V273 WeakPolarHBondContact O-CA 3.12Å; I252-Y274 PolarHBondContact O-N 2.78Å
253	T	92.3	Very high	94.5	Very high	21 Å²	21	33.9 Å²	33.9	13%	0.129	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.6	171.6	-57.4	0	0	0	0	109.7	I190 V191 A192 Y274 C276	I190-T253 PolarHBondContact O-N 2.95Å; V191-T253 WeakPolarHBondContact CA-O 3.41Å; V191-T253 HydrophobicContact CG2-CG2 4.41Å; A192-T253 PolarHBondContact N-O 3.02Å; T253-Y274 CarbonylContact C-O 3.28Å; T253-Y274 VanDerWaalsContact CA-O 3.32Å; T253-Y274 WeakPolarHBondContact CA-O 3.26Å; T253-C276 HydrophobicContact CG2-CB 4.01Å
254	L	92.6	Very high	94.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.9	-173.8	-62.5	176.7	0	0	0	111.3	A192 Y207 I252 A260 M261 A264 V273 Y274 G275 C276	A192-L254 HydrophobicContact CB-CD2 3.66Å; A192-L254 WeakPolarHBondContact O-CD2 3.38Å; Y207-L254 VanDerWaalsContact OH-CD2 3.29Å; Y207-L254 WeakPolarHBondContact OH-CD2 3.46Å; I252-L254 HydrophobicContact CD1-CD1 4.17Å; I252-L254 HydrophobicContact CD1-CD2 3.69Å; I252-L254 HydrophobicContact CD1-CG 4.09Å; I252-L254 HydrophobicContact CG1-CD1 4.36Å; I252-L254 HydrophobicContact CG1-CD2 3.76Å; I252-L254 HydrophobicContact CG1-CG 3.89Å; I252-L254 HydrophobicContact CG2-CD1 4.46Å; L254-A260 HydrophobicContact CD1-CB 4.49Å; L254-M261 HydrophobicContact CB-CE 4.31Å; L254-M261 HydrophobicContact CB-CG 4.37Å; L254-M261 HydrophobicContact CD1-CB 4.37Å; L254-M261 HydrophobicContact CD1-CG 3.81Å; L254-A264 HydrophobicContact CD1-CB 4.21Å; L254-V273 HydrophobicContact CD1-CG1 4.15Å; L254-Y274 PolarHBondContact N-O 3.24Å; L254-G275 CarbonylContact O-C 3.57Å; L254-C276 WeakPolarHBondContact O-CB 3.47Å; L254-C276 PolarHBondContact O-N 3.49Å
255	D	89.8	Confident	94.4	Very high	47 Å²	47	35.1 Å²	35.1	25%	0.251	19%	0.189	S	C	.	.			trans	-63.6	160.4	156	-168.7	1.4	0	0	0	109.3	E257 M261 H279	D255-E257 PolarHBondContact O-N 3.26Å; D255-M261 WeakPolarHBondContact O-CE 3.47Å; D255-H279 WeakPolarHBondContact OD1-CB 3.37Å; D255-H279 IonicContact OD1-CD2 2.74Å; D255-H279 IonicContact OD1-CG 3.66Å; D255-H279 VanDerWaalsContact OD1-CG 3.3Å; D255-H279 IonicContact OD1-ND1 3.63Å; D255-H279 IonicContact OD2-CD2 3.5Å
256	F	89.1	Confident	94.5	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	18%	0.178	C	C	.	.	S	Bend	trans	-71.2	49.7	177.6	-75.8	-95.4	0	0	0	112.4	C276 H279 F280 R283 Y347 F362 W367	F256-C276 WeakPolarHBondContact CE2-O 3.47Å; F256-H279 HydrophobicContact CD2-CB 4.07Å; F256-F280 HydrophobicContact CD2-CB 4.39Å; F256-F280 HydrophobicContact CE1-CD2 4.46Å; F256-F280 HydrophobicContact CE2-CB 3.49Å; F256-F280 VanDerWaalsContact CE2-CB 3.49Å; F256-F280 HydrophobicContact CE2-CD2 4.49Å; F256-F280 HydrophobicContact CE2-CG 4.46Å; F256-F280 HydrophobicContact CZ-CB 3.74Å; F256-F280 AromaticContact CZ-CD2 3.97Å; F256-F280 HydrophobicContact CZ-CD2 3.97Å; F256-F280 HydrophobicContact CZ-CG 4.27Å; F256-R283 VanDerWaalsContact O-CZ 3.31Å; F256-R283 PolarHBondContact O-NH2 3.24Å; F256-Y347 HydrophobicContact CD1-CE1 4.08Å; F256-Y347 AromaticContact CE1-CE1 3.72Å; F256-Y347 HydrophobicContact CE1-CE1 3.72Å; F256-Y347 HydrophobicContact CZ-CE1 4.5Å; F256-F362 HydrophobicContact CB-CE1 4.16Å; F256-F362 HydrophobicContact CB-CE2 4.32Å; F256-F362 HydrophobicContact CB-CZ 4.01Å; F256-F362 HydrophobicContact CD1-CB 4.01Å; F256-F362 AromaticContact CD1-CD1 3.68Å; F256-F362 HydrophobicContact CD1-CD1 3.68Å; F256-F362 AromaticContact CD1-CD2 3.8Å; F256-F362 HydrophobicContact CD1-CD2 3.8Å; F256-F362 HydrophobicContact CD1-CE1 4.07Å; F256-F362 HydrophobicContact CD1-CE2 4.19Å; F256-F362 AromaticContact CD1-CG 3.54Å; F256-F362 HydrophobicContact CD1-CG 3.54Å; F256-F362 HydrophobicContact CD1-CZ 4.31Å; F256-F362 HydrophobicContact CE1-CB 3.99Å; F256-F362 HydrophobicContact CE1-CD1 4.36Å; F256-F362 HydrophobicContact CE1-CG 4.04Å; F256-F362 WeakPolarHBondContact O-CZ 3.11Å; F256-W367 HydrophobicContact CE1-CB 3.63Å; F256-W367 HydrophobicContact CZ-CB 3.6Å
257	E	90.8	Very high	94.6	Very high	47 Å²	47	27.4 Å²	27.4	22%	0.22	15%	0.154	C	C	.	.			trans	-102.4	104.6	174.6	-165.6	169.7	113.7	0	0	109.2	Y233 D255 A259 A260 M261	Y233-E257 WeakPolarHBondContact CE2-OE1 3.43Å; Y233-E257 PolarHBondContact OH-OE1 3.02Å; D255-E257 PolarHBondContact O-N 3.26Å; E257-A259 HydrophobicContact CG-CB 4.47Å; E257-A259 PolarHBondContact O-N 3.18Å; E257-A259 VanDerWaalsContact O-N 3.15Å; E257-A260 HydrophobicContact CB-CB 4.31Å; E257-A260 PolarHBondContact O-N 3.12Å; E257-M261 PolarHBondContact O-N 3.46Å; E257-M261 VanDerWaalsContact O-N 3.09Å
258	Q	92.6	Very high	94.5	Very high	69 Å²	69	27.4 Å²	27.4	32%	0.322	15%	0.154	S	C	.	.	H	α-helix	trans	-52.5	-41.2	-175	-167.2	69.7	52.5	0	0	112.3	A260 M261 N262 P361	Q258-A260 VanDerWaalsContact C-N 3.35Å; Q258-A260 PolarHBondContact O-N 3.49Å; Q258-M261 PolarHBondContact O-N 3.28Å; Q258-N262 PolarHBondContact NE2-OD1 3.27Å; Q258-N262 VanDerWaalsContact O-CB 3.31Å; Q258-N262 WeakPolarHBondContact O-CB 3.38Å; Q258-N262 PolarHBondContact O-N 3.33Å; Q258-N262 PolarHBondContact O-OD1 2.86Å; Q258-P361 PolarHBondContact OE1-O 3.21Å
259	A	95.5	Very high	94.5	Very high	19 Å²	19	29 Å²	29	16%	0.157	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-42.4	178.5	0	0	0	0	0	112.8	E230 Y233 E257 A263	E230-A259 HydrophobicContact CB-CB 3.9Å; Y233-A259 HydrophobicContact CD2-CB 4.04Å; Y233-A259 HydrophobicContact CE2-CB 4.12Å; E257-A259 HydrophobicContact CG-CB 4.47Å; E257-A259 PolarHBondContact O-N 3.18Å; E257-A259 VanDerWaalsContact O-N 3.15Å; A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.5Å; A259-A263 PolarHBondContact O-N 3.32Å; A259-A263 VanDerWaalsContact O-N 3.14Å
260	A	95.7	Very high	94.4	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-40.4	178.7	0	0	0	0	0	111.6	Y233 L254 E257 Q258 A263 A264	Y233-A260 HydrophobicContact CD1-CB 4.32Å; Y233-A260 HydrophobicContact CD2-CB 4.11Å; Y233-A260 HydrophobicContact CE1-CB 4.35Å; Y233-A260 HydrophobicContact CE2-CB 4.11Å; Y233-A260 HydrophobicContact CG-CB 4.2Å; L254-A260 HydrophobicContact CD1-CB 4.49Å; E257-A260 HydrophobicContact CB-CB 4.31Å; E257-A260 PolarHBondContact O-N 3.12Å; Q258-A260 VanDerWaalsContact C-N 3.35Å; Q258-A260 PolarHBondContact O-N 3.49Å; A260-A263 PolarHBondContact O-N 2.9Å; A260-A264 WeakPolarHBondContact O-CB 3.41Å; A260-A264 PolarHBondContact O-N 3.16Å
261	M	95.1	Very high	94.4	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-49.8	176.9	-68.6	-179.9	162.4	0	0	111.7	L254 D255 E257 Q258 A263 A264 T265 V273 F362 V366	L254-M261 HydrophobicContact CB-CE 4.31Å; L254-M261 HydrophobicContact CB-CG 4.37Å; L254-M261 HydrophobicContact CD1-CB 4.37Å; L254-M261 HydrophobicContact CD1-CG 3.81Å; D255-M261 WeakPolarHBondContact O-CE 3.47Å; E257-M261 PolarHBondContact O-N 3.46Å; E257-M261 VanDerWaalsContact O-N 3.09Å; Q258-M261 PolarHBondContact O-N 3.28Å; M261-A263 VanDerWaalsContact C-N 3.31Å; M261-A263 PolarHBondContact O-N 2.99Å; M261-A264 PolarHBondContact O-N 2.93Å; M261-T265 PolarHBondContact O-N 2.84Å; M261-T265 PolarHBondContact O-OG1 3.02Å; M261-V273 HydrophobicContact CB-CG1 4.09Å; M261-V273 HydrophobicContact CE-CG1 4.34Å; M261-V273 HydrophobicContact CG-CG1 3.78Å; M261-V273 HydrophobicContact SD-CG1 4.34Å; M261-F362 HydrophobicContact CE-CD1 4.4Å; M261-F362 HydrophobicContact SD-CD1 3.72Å; M261-F362 HydrophobicContact SD-CE1 3.68Å; M261-V366 HydrophobicContact CE-CG1 3.66Å; M261-V366 HydrophobicContact SD-CG1 4.06Å
262	N	95.8	Very high	94.4	Very high	57 Å²	57	33.3 Å²	33.3	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-43.2	177.1	-71.7	-1.7	0	0	0	111.7	E230 Q258 A266	E230-N262 HydrophobicContact CG-CB 4.11Å; E230-N262 WeakPolarHBondContact OE2-CB 3.34Å; E230-N262 PolarHBondContact OE2-ND2 2.91Å; Q258-N262 PolarHBondContact NE2-OD1 3.27Å; Q258-N262 VanDerWaalsContact O-CB 3.31Å; Q258-N262 WeakPolarHBondContact O-CB 3.38Å; Q258-N262 PolarHBondContact O-N 3.33Å; Q258-N262 PolarHBondContact O-OD1 2.86Å; N262-A266 VanDerWaalsContact O-CB 3.26Å; N262-A266 WeakPolarHBondContact O-CB 3.24Å; N262-A266 PolarHBondContact O-N 3.31Å
263	A	97.5	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-44.4	176.9	0	0	0	0	0	112.1	E230 Y233 R234 F237 A259 A260 M261 A266 T267	E230-A263 HydrophobicContact CG-CB 4.47Å; Y233-A263 VanDerWaalsContact CB-CB 3.44Å; R234-A263 HydrophobicContact CB-CB 4.13Å; F237-A263 HydrophobicContact CD2-CB 4.04Å; F237-A263 HydrophobicContact CE2-CB 4.29Å; A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.5Å; A259-A263 PolarHBondContact O-N 3.32Å; A259-A263 VanDerWaalsContact O-N 3.14Å; A260-A263 PolarHBondContact O-N 2.9Å; M261-A263 VanDerWaalsContact C-N 3.31Å; M261-A263 PolarHBondContact O-N 2.99Å; A263-A266 PolarHBondContact O-N 3.12Å; A263-T267 PolarHBondContact O-N 3.49Å; A263-T267 PolarHBondContact O-OG1 3.47Å; A263-T267 VanDerWaalsContact O-OG1 3.1Å
264	A	97	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-48.1	178.3	0	0	0	0	0	112	F237 I252 L254 A260 M261 A266 T267 F268	F237-A264 HydrophobicContact CD2-CB 4.46Å; F237-A264 HydrophobicContact CE2-CB 3.94Å; F237-A264 HydrophobicContact CZ-CB 4.19Å; I252-A264 HydrophobicContact CD1-CB 3.99Å; I252-A264 HydrophobicContact CG2-CB 4.24Å; L254-A264 HydrophobicContact CD1-CB 4.21Å; A260-A264 WeakPolarHBondContact O-CB 3.41Å; A260-A264 PolarHBondContact O-N 3.16Å; M261-A264 PolarHBondContact O-N 2.93Å; A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 2.95Å; A264-T267 PolarHBondContact O-N 2.9Å; A264-F268 WeakPolarHBondContact O-CD2 3.08Å; A264-F268 PolarHBondContact O-N 2.77Å
265	T	95.8	Very high	94.3	Very high	69 Å²	69	34.8 Å²	34.8	42%	0.423	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-38.6	177.2	-56.9	0	0	0	0	112.1	M261 F268 V273	M261-T265 PolarHBondContact O-N 2.84Å; M261-T265 PolarHBondContact O-OG1 3.02Å; T265-F268 CarbonylContact O-C 3.6Å; T265-V273 WeakPolarHBondContact OG1-CG2 3.47Å
266	A	96.9	Very high	94.2	Very high	55 Å²	55	33 Å²	33	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-37.9	177.2	0	0	0	0	0	112.5	N262 A263 A264	N262-A266 VanDerWaalsContact O-CB 3.26Å; N262-A266 WeakPolarHBondContact O-CB 3.24Å; N262-A266 PolarHBondContact O-N 3.31Å; A263-A266 PolarHBondContact O-N 3.12Å; A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 2.95Å
267	T	97.3	Very high	94.3	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-82.2	-32.8	-179	-55.4	0	0	0	0	113.3	F237 E238 K241 A263 A264	F237-T267 HydrophobicContact CB-CG2 3.81Å; E238-T267 HydrophobicContact CG-CG2 4.18Å; K241-T267 HydrophobicContact CD-CG2 4.12Å; K241-T267 PolarHBondContact NZ-O 3.35Å; A263-T267 PolarHBondContact O-N 3.49Å; A263-T267 PolarHBondContact O-OG1 3.47Å; A263-T267 VanDerWaalsContact O-OG1 3.1Å; A264-T267 PolarHBondContact O-N 2.9Å
268	F	96.6	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.			trans	-125.2	82.8	-178.8	-50.9	-73.9	0	0	0	110.1	F237 K241 F247 P249 A264 T265 S270 V271	F237-F268 HydrophobicContact CB-CE2 4.01Å; F237-F268 HydrophobicContact CB-CZ 4.49Å; F237-F268 AromaticContact CD1-CE2 3.82Å; F237-F268 HydrophobicContact CD1-CE2 3.82Å; F237-F268 HydrophobicContact CG-CE2 4.1Å; K241-F268 HydrophobicContact CB-CE1 4.34Å; K241-F268 HydrophobicContact CD-CE1 4.13Å; K241-F268 HydrophobicContact CG-CE1 4.33Å; F247-F268 AromaticContact CD1-CE1 3.9Å; F247-F268 HydrophobicContact CD1-CE1 3.9Å; F247-F268 AromaticContact CD1-CZ 3.76Å; F247-F268 HydrophobicContact CD1-CZ 3.76Å; F247-F268 HydrophobicContact CE1-CE1 4.29Å; F247-F268 HydrophobicContact CE1-CE2 4.43Å; F247-F268 AromaticContact CE1-CZ 3.8Å; F247-F268 HydrophobicContact CE1-CZ 3.8Å; F247-F268 WeakPolarHBondContact O-CE1 3.42Å; P249-F268 HydrophobicContact CG-CD1 4.4Å; P249-F268 HydrophobicContact CG-CD2 4.39Å; P249-F268 HydrophobicContact CG-CG 4.27Å; A264-F268 WeakPolarHBondContact O-CD2 3.08Å; A264-F268 PolarHBondContact O-N 2.77Å; T265-F268 CarbonylContact O-C 3.6Å; F268-S270 PolarHBondContact O-N 3.14Å; F268-S270 VanDerWaalsContact O-N 3.1Å; F268-V271 HydrophobicContact CB-CB 3.81Å; F268-V271 HydrophobicContact CB-CG1 3.91Å; F268-V271 WeakPolarHBondContact O-CB 3.1Å; F268-V271 WeakPolarHBondContact O-CG1 3.19Å; F268-V271 PolarHBondContact O-N 3.14Å
269	P	94.8	Very high	93.7	Very high	106 Å²	106	33.5 Å²	33.5	69%	0.688	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.2	-172.8	-26.8	36	0	0	0	115.3
270	S	95.1	Very high	93.5	Very high	77 Å²	77	32.6 Å²	32.6	54%	0.538	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.7	177.5	48.2	0	0	0	0	113.8	F268	F268-S270 PolarHBondContact O-N 3.14Å; F268-S270 VanDerWaalsContact O-N 3.1Å
271	V	95.5	Very high	93.4	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.073	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-73.6	135.3	-173.3	81	0	0	0	0	111.4	P249 I252 F268 V273	P249-V271 HydrophobicContact CB-CG2 4.45Å; P249-V271 HydrophobicContact CG-CG2 4.19Å; P249-V271 WeakPolarHBondContact O-CG2 3.03Å; I252-V271 HydrophobicContact CB-CG2 3.97Å; I252-V271 HydrophobicContact CG2-CG1 4.13Å; I252-V271 HydrophobicContact CG2-CG2 3.64Å; F268-V271 HydrophobicContact CB-CB 3.81Å; F268-V271 HydrophobicContact CB-CG1 3.91Å; F268-V271 WeakPolarHBondContact O-CB 3.1Å; F268-V271 WeakPolarHBondContact O-CG1 3.19Å; F268-V271 PolarHBondContact O-N 3.14Å; V271-V273 HydrophobicContact CG1-CG2 3.94Å
272	Q	93.7	Very high	93.2	Very high	99 Å²	99	39.6 Å²	39.6	46%	0.463	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118	166.1	-62.9	179.5	6.5	0	0	109.5	E250 T251 I252 Y274	E250-Q272 PolarHBondContact O-N 3.47Å; T251-Q272 CarbonylContact C-O 3.5Å; T251-Q272 VanDerWaalsContact CA-O 3.3Å; T251-Q272 WeakPolarHBondContact CA-O 3.18Å; T251-Q272 HydrophobicContact CG2-CB 4.32Å; I252-Q272 PolarHBondContact N-O 3.08Å; Q272-Y274 HydrophobicContact CB-CD2 4.46Å; Q272-Y274 HydrophobicContact CB-CE2 3.63Å; Q272-Y274 PolarHBondContact OE1-OH 3.43Å
273	V	93.5	Very high	93.1	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.1	179.1	-178.9	0	0	0	0	110.1	I252 L254 M261 T265 V271	I252-V273 HydrophobicContact CG2-CB 4.25Å; I252-V273 HydrophobicContact CG2-CG1 4.37Å; I252-V273 HydrophobicContact CG2-CG2 3.74Å; I252-V273 WeakPolarHBondContact O-CA 3.12Å; L254-V273 HydrophobicContact CD1-CG1 4.15Å; M261-V273 HydrophobicContact CB-CG1 4.09Å; M261-V273 HydrophobicContact CE-CG1 4.34Å; M261-V273 HydrophobicContact CG-CG1 3.78Å; M261-V273 HydrophobicContact SD-CG1 4.34Å; T265-V273 WeakPolarHBondContact OG1-CG2 3.47Å; V271-V273 HydrophobicContact CG1-CG2 3.94Å
274	Y	92.2	Very high	93	Very high	31 Å²	31	39.7 Å²	39.7	12%	0.122	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143	176.3	-63.1	-80.3	0	0	0	111	T251 I252 T253 L254 Q272 V366 R377	T251-Y274 HydrophobicContact CG2-CE2 3.77Å; I252-Y274 PolarHBondContact O-N 2.78Å; T253-Y274 CarbonylContact C-O 3.28Å; T253-Y274 VanDerWaalsContact CA-O 3.32Å; T253-Y274 WeakPolarHBondContact CA-O 3.26Å; L254-Y274 PolarHBondContact N-O 3.24Å; Q272-Y274 HydrophobicContact CB-CD2 4.46Å; Q272-Y274 HydrophobicContact CB-CE2 3.63Å; Q272-Y274 PolarHBondContact OE1-OH 3.43Å; Y274-V366 CarbonylContact C-O 3.56Å; Y274-V366 WeakPolarHBondContact CA-O 3.33Å; Y274-R377 PolarHBondContact OH-NH1 2.93Å; Y274-R377 VanDerWaalsContact OH-NH1 3.08Å
275	G	90.1	Very high	92.9	Very high	4 Å²	4	41.7 Å²	41.7	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138	168.2	0	0	0	0	0	110.8	L254 F277 V366	L254-G275 CarbonylContact O-C 3.57Å; G275-F277 PolarHBondContact O-N 2.98Å; G275-V366 PolarHBondContact N-O 3.32Å
276	C	88.5	Confident	92.9	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.068	22%	0.222	C	C	.	.			trans	-70	120	175.8	176.3	0	0	0	0	111	T253 L254 F256 F278 H279 F280 N381	T253-C276 HydrophobicContact CG2-CB 4.01Å; L254-C276 WeakPolarHBondContact O-CB 3.47Å; L254-C276 PolarHBondContact O-N 3.49Å; F256-C276 WeakPolarHBondContact CE2-O 3.47Å; C276-F278 PolarHBondContact O-N 3Å; C276-H279 HydrophobicContact CB-CB 4.2Å; C276-H279 WeakPolarHBondContact CB-ND1 3.46Å; C276-H279 WeakPolarHBondContact O-CA 3.31Å; C276-H279 WeakPolarHBondContact O-CB 3.35Å; C276-H279 PolarHBondContact O-N 2.79Å; C276-H279 PolarHBondContact SG-ND1 3.29Å; C276-F280 PolarHBondContact O-N 2.95Å; C276-N381 PolarHBondContact SG-OD1 2.89Å
277	F	89.6	Confident	92.9	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.096	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-35.6	-179.9	178.6	-105.2	0	0	0	113.6	G275 H279 F280 A281 A314 F315 I369 F466	G275-F277 PolarHBondContact O-N 2.98Å; F277-H279 VanDerWaalsContact C-N 3.32Å; F277-H279 PolarHBondContact O-N 3.03Å; F277-F280 AromaticContact CD2-CD1 3.8Å; F277-F280 HydrophobicContact CD2-CD1 3.8Å; F277-F280 HydrophobicContact CD2-CE1 4.5Å; F277-F280 AromaticContact CE2-CD1 3.8Å; F277-F280 HydrophobicContact CE2-CD1 3.8Å; F277-F280 HydrophobicContact CE2-CE1 4.17Å; F277-F280 WeakPolarHBondContact O-CB 3.32Å; F277-F280 PolarHBondContact O-N 3.12Å; F277-A281 HydrophobicContact CZ-CB 4.44Å; F277-A281 WeakPolarHBondContact O-CB 3.36Å; F277-A281 PolarHBondContact O-N 3Å; F277-A314 HydrophobicContact CD2-CB 4.16Å; F277-A314 HydrophobicContact CE2-CB 4.08Å; F277-F315 HydrophobicContact CD1-CZ 4.38Å; F277-F315 HydrophobicContact CD2-CE2 4.22Å; F277-F315 HydrophobicContact CD2-CZ 4.5Å; F277-F315 HydrophobicContact CE1-CE2 4.03Å; F277-F315 AromaticContact CE1-CZ 3.96Å; F277-F315 HydrophobicContact CE1-CZ 3.96Å; F277-F315 HydrophobicContact CE2-CD2 4.33Å; F277-F315 AromaticContact CE2-CE2 3.48Å; F277-F315 HydrophobicContact CE2-CE2 3.48Å; F277-F315 VanDerWaalsContact CE2-CE2 3.48Å; F277-F315 HydrophobicContact CE2-CZ 4.08Å; F277-F315 AromaticContact CZ-CE2 3.39Å; F277-F315 HydrophobicContact CZ-CE2 3.39Å; F277-F315 AromaticContact CZ-CZ 3.81Å; F277-F315 HydrophobicContact CZ-CZ 3.81Å; F277-I369 HydrophobicContact CB-CD1 3.94Å; F277-I369 HydrophobicContact CB-CG2 4.14Å; F277-I369 HydrophobicContact CD1-CD1 4.27Å; F277-I369 HydrophobicContact CD2-CD1 3.55Å; F277-I369 HydrophobicContact CD2-CG1 4.33Å; F277-I369 HydrophobicContact CE2-CD1 4.15Å; F277-I369 HydrophobicContact CG-CD1 3.64Å; F277-F466 HydrophobicContact CE1-CD2 4.05Å; F277-F466 HydrophobicContact CE1-CE2 4.33Å; F277-F466 HydrophobicContact CE1-CG 4.29Å; F277-F466 HydrophobicContact CZ-CD2 4.01Å; F277-F466 HydrophobicContact CZ-CE1 4.4Å; F277-F466 AromaticContact CZ-CE2 3.83Å; F277-F466 HydrophobicContact CZ-CE2 3.83Å; F277-F466 HydrophobicContact CZ-CG 4.37Å; F277-F466 HydrophobicContact CZ-CZ 4.04Å
278	F	84.6	Confident	92.9	Very high	87 Å²	87	42 Å²	42	38%	0.382	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-44.9	174.7	174.5	-95.7	0	0	0	111.7	C276 R282 H469	C276-F278 PolarHBondContact O-N 3Å; F278-R282 WeakPolarHBondContact O-CB 3.29Å; F278-R282 PolarHBondContact O-N 3.27Å; F278-H469 HydrophobicContact CE2-CB 4.03Å
279	H	87.3	Confident	92.9	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-69.9	-36	177.4	-70	118.6	0	0	0	112.4	D193 D255 F256 C276 F277 R282 R283	D193-H279 IonicContact OD1-CE1 3.71Å; D193-H279 PolarHBondContact OD1-CE1 3.01Å; D255-H279 WeakPolarHBondContact OD1-CB 3.37Å; D255-H279 IonicContact OD1-CD2 2.74Å; D255-H279 IonicContact OD1-CG 3.66Å; D255-H279 VanDerWaalsContact OD1-CG 3.3Å; D255-H279 IonicContact OD1-ND1 3.63Å; D255-H279 IonicContact OD2-CD2 3.5Å; F256-H279 HydrophobicContact CD2-CB 4.07Å; C276-H279 HydrophobicContact CB-CB 4.2Å; C276-H279 WeakPolarHBondContact CB-ND1 3.46Å; C276-H279 WeakPolarHBondContact O-CA 3.31Å; C276-H279 WeakPolarHBondContact O-CB 3.35Å; C276-H279 PolarHBondContact O-N 2.79Å; C276-H279 PolarHBondContact SG-ND1 3.29Å; F277-H279 VanDerWaalsContact C-N 3.32Å; F277-H279 PolarHBondContact O-N 3.03Å; H279-R282 PolarHBondContact O-N 3.25Å; H279-R283 WeakPolarHBondContact O-CG 3.32Å; H279-R283 PolarHBondContact O-N 3.45Å
280	F	91.8	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-52.9	171.4	173.2	-103.7	0	0	0	111.8	F256 C276 F277 R282 R283 L284 A311 A314 F343 Y347 W367	F256-F280 HydrophobicContact CD2-CB 4.39Å; F256-F280 HydrophobicContact CE1-CD2 4.46Å; F256-F280 HydrophobicContact CE2-CB 3.49Å; F256-F280 VanDerWaalsContact CE2-CB 3.49Å; F256-F280 HydrophobicContact CE2-CD2 4.49Å; F256-F280 HydrophobicContact CE2-CG 4.46Å; F256-F280 HydrophobicContact CZ-CB 3.74Å; F256-F280 AromaticContact CZ-CD2 3.97Å; F256-F280 HydrophobicContact CZ-CD2 3.97Å; F256-F280 HydrophobicContact CZ-CG 4.27Å; C276-F280 PolarHBondContact O-N 2.95Å; F277-F280 AromaticContact CD2-CD1 3.8Å; F277-F280 HydrophobicContact CD2-CD1 3.8Å; F277-F280 HydrophobicContact CD2-CE1 4.5Å; F277-F280 AromaticContact CE2-CD1 3.8Å; F277-F280 HydrophobicContact CE2-CD1 3.8Å; F277-F280 HydrophobicContact CE2-CE1 4.17Å; F277-F280 WeakPolarHBondContact O-CB 3.32Å; F277-F280 PolarHBondContact O-N 3.12Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.85Å; F280-R283 WeakPolarHBondContact O-CB 3.5Å; F280-R283 PolarHBondContact O-N 2.92Å; F280-L284 HydrophobicContact CD1-CD1 4.15Å; F280-L284 HydrophobicContact CE1-CD1 3.52Å; F280-L284 HydrophobicContact CE2-CD1 4.3Å; F280-L284 HydrophobicContact CZ-CD1 3.6Å; F280-L284 PolarHBondContact O-N 2.98Å; F280-L284 VanDerWaalsContact O-N 3.11Å; F280-A311 HydrophobicContact CE1-CB 4.4Å; F280-A314 HydrophobicContact CD1-CB 4.48Å; F280-A314 HydrophobicContact CE1-CB 3.98Å; F280-A314 HydrophobicContact CZ-CB 4.5Å; F280-F343 HydrophobicContact CE2-CD2 4.34Å; F280-F343 AromaticContact CE2-CE2 3.81Å; F280-F343 HydrophobicContact CE2-CE2 3.81Å; F280-F343 HydrophobicContact CZ-CD2 4.15Å; F280-F343 AromaticContact CZ-CE2 3.53Å; F280-F343 HydrophobicContact CZ-CE2 3.53Å; F280-Y347 HydrophobicContact CD2-CD1 4.36Å; F280-Y347 AromaticContact CD2-CE1 3.77Å; F280-Y347 HydrophobicContact CD2-CE1 3.77Å; F280-Y347 HydrophobicContact CD2-CE2 4.4Å; F280-Y347 AromaticContact CD2-CZ 3.79Å; F280-Y347 AromaticContact CE2-CD1 3.99Å; F280-Y347 HydrophobicContact CE2-CD1 3.99Å; F280-Y347 HydrophobicContact CE2-CD2 4.14Å; F280-Y347 AromaticContact CE2-CE1 3.8Å; F280-Y347 HydrophobicContact CE2-CE1 3.8Å; F280-Y347 AromaticContact CE2-CE2 3.95Å; F280-Y347 HydrophobicContact CE2-CE2 3.95Å; F280-Y347 HydrophobicContact CE2-CG 4.15Å; F280-Y347 AromaticContact CE2-CZ 3.78Å; F280-W367 HydrophobicContact CD2-CB 4.39Å; F280-W367 HydrophobicContact CE2-CD2 4.34Å; F280-W367 AromaticContact CE2-CE3 3.93Å; F280-W367 HydrophobicContact CE2-CE3 3.93Å; F280-W367 AromaticContact CZ-CE3 3.92Å; F280-W367 HydrophobicContact CZ-CE3 3.92Å; F280-W367 HydrophobicContact CZ-CZ3 4.24Å
281	A	92.4	Very high	93	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-37.9	177.7	0	0	0	0	0	112.1	F277 R283 L284 K285 M468	F277-A281 HydrophobicContact CZ-CB 4.44Å; F277-A281 WeakPolarHBondContact O-CB 3.36Å; F277-A281 PolarHBondContact O-N 3Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3.46Å; A281-L284 PolarHBondContact O-N 2.91Å; A281-K285 PolarHBondContact O-N 2.78Å; A281-M468 HydrophobicContact CB-CG 4.17Å
282	R	91.5	Very high	93.1	Very high	151 Å²	151	48.1 Å²	48.1	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-64.3	-36	175.1	-172	178	175.8	-163.3	-3.5	112.6	F278 H279 F280 K285 R286	F278-R282 WeakPolarHBondContact O-CB 3.29Å; F278-R282 PolarHBondContact O-N 3.27Å; H279-R282 PolarHBondContact O-N 3.25Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.85Å; R282-K285 PolarHBondContact O-N 2.78Å; R282-R286 PolarHBondContact O-N 2.89Å
283	R	93.2	Very high	93.2	Very high	58 Å²	58	44.6 Å²	44.6	22%	0.219	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-43.5	174.8	-74.7	178.7	175.5	-120.9	-0.5	112	F256 H279 F280 A281 K285 R286 Q287 W342 Y347	F256-R283 VanDerWaalsContact O-CZ 3.31Å; F256-R283 PolarHBondContact O-NH2 3.24Å; H279-R283 WeakPolarHBondContact O-CG 3.32Å; H279-R283 PolarHBondContact O-N 3.45Å; F280-R283 WeakPolarHBondContact O-CB 3.5Å; F280-R283 PolarHBondContact O-N 2.92Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3.46Å; R283-K285 VanDerWaalsContact C-N 3.3Å; R283-K285 PolarHBondContact O-N 3.22Å; R283-R286 WeakPolarHBondContact O-CB 3.21Å; R283-R286 PolarHBondContact O-N 2.88Å; R283-R286 VanDerWaalsContact O-N 3.15Å; R283-Q287 PolarHBondContact O-N 3.39Å; R283-W342 HydrophobicContact CB-CH2 4.35Å; R283-Y347 WeakPolarHBondContact CD-OH 3.22Å
284	L	95.2	Very high	93.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-43.1	172.3	-83.9	162.4	0	0	0	111.7	F280 A281 R286 Q287 L288 I310 A311 V339 W342 F343 M468	F280-L284 HydrophobicContact CD1-CD1 4.15Å; F280-L284 HydrophobicContact CE1-CD1 3.52Å; F280-L284 HydrophobicContact CE2-CD1 4.3Å; F280-L284 HydrophobicContact CZ-CD1 3.6Å; F280-L284 PolarHBondContact O-N 2.98Å; F280-L284 VanDerWaalsContact O-N 3.11Å; A281-L284 PolarHBondContact O-N 2.91Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3Å; L284-Q287 WeakPolarHBondContact O-CB 3.5Å; L284-Q287 PolarHBondContact O-N 3.37Å; L284-Q287 VanDerWaalsContact O-N 3.15Å; L284-L288 PolarHBondContact O-N 2.68Å; L284-I310 HydrophobicContact CD2-CG2 3.76Å; L284-A311 HydrophobicContact CD1-CB 3.55Å; L284-V339 HydrophobicContact CD2-CG1 4.3Å; L284-W342 HydrophobicContact CD2-CE3 4.18Å; L284-W342 HydrophobicContact CD2-CZ3 3.54Å; L284-W342 HydrophobicContact CG-CZ3 3.99Å; L284-F343 HydrophobicContact CD2-CD2 4.37Å; L284-M468 HydrophobicContact CB-SD 4.17Å
285	K	95.8	Very high	93.5	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-36.8	175.2	-169.5	175.1	-175.8	173.3	0	113	A281 R282 R283 Q287 L288 S289 L294 M468 H469	A281-K285 PolarHBondContact O-N 2.78Å; R282-K285 PolarHBondContact O-N 2.78Å; R283-K285 VanDerWaalsContact C-N 3.3Å; R283-K285 PolarHBondContact O-N 3.22Å; K285-Q287 VanDerWaalsContact C-N 3.35Å; K285-L288 WeakPolarHBondContact O-CB 3.47Å; K285-L288 PolarHBondContact O-N 3.26Å; K285-S289 PolarHBondContact O-N 3.31Å; K285-L294 HydrophobicContact CG-CD1 4.29Å; K285-M468 HydrophobicContact CB-CB 4.35Å; K285-M468 HydrophobicContact CD-CB 4.28Å; K285-M468 WeakPolarHBondContact CD-O 3.27Å; K285-M468 PolarHBondContact NZ-O 3.14Å; K285-H469 VanDerWaalsContact NZ-C 3.32Å; K285-H469 PolarHBondContact NZ-OXT 3.23Å
286	R	95.7	Very high	93.8	Very high	124 Å²	124	50.8 Å²	50.8	47%	0.468	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-42.5	172	-169	-177.8	67.3	-144.7	-5.7	110.9	R282 R283 L284 L288 S289 E290	R282-R286 PolarHBondContact O-N 2.89Å; R283-R286 WeakPolarHBondContact O-CB 3.21Å; R283-R286 PolarHBondContact O-N 2.88Å; R283-R286 VanDerWaalsContact O-N 3.15Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.92Å; R286-S289 CarbonylContact O-C 3.55Å; R286-S289 WeakPolarHBondContact O-CA 3.49Å; R286-S289 VanDerWaalsContact O-CB 3.26Å; R286-S289 WeakPolarHBondContact O-CB 3.38Å; R286-S289 PolarHBondContact O-N 3.44Å; R286-E290 WeakPolarHBondContact CD-OE1 3.45Å; R286-E290 WeakPolarHBondContact CG-OE1 3.45Å; R286-E290 IonicContact NE-OE1 3.78Å; R286-E290 PolarHBondContact NE-OE1 2.8Å; R286-E290 VanDerWaalsContact NE-OE1 3.15Å; R286-E290 WeakPolarHBondContact O-CG 3.12Å; R286-E290 PolarHBondContact O-N 2.81Å
287	Q	96.6	Very high	94.2	Very high	11 Å²	11	51 Å²	51	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-41.8	175.5	-170.9	64.8	18.3	0	0	111.9	R283 L284 K285 S289 E290 Q291 V339 W342	R283-Q287 PolarHBondContact O-N 3.39Å; L284-Q287 WeakPolarHBondContact O-CB 3.5Å; L284-Q287 PolarHBondContact O-N 3.37Å; L284-Q287 VanDerWaalsContact O-N 3.15Å; K285-Q287 VanDerWaalsContact C-N 3.35Å; Q287-S289 PolarHBondContact O-N 3.01Å; Q287-E290 PolarHBondContact O-N 2.97Å; Q287-E290 VanDerWaalsContact O-N 3.17Å; Q287-E290 PolarHBondContact OE1-OE2 2.84Å; Q287-Q291 HydrophobicContact CG-CG 4.46Å; Q287-Q291 VanDerWaalsContact NE2-NE2 3.14Å; Q287-Q291 WeakPolarHBondContact O-CG 3.26Å; Q287-Q291 PolarHBondContact O-N 3.1Å; Q287-V339 HydrophobicContact CG-CG1 4.13Å; Q287-W342 HydrophobicContact CB-CD2 4.09Å; Q287-W342 HydrophobicContact CB-CE3 3.95Å; Q287-W342 HydrophobicContact CB-CH2 4.17Å; Q287-W342 HydrophobicContact CB-CZ2 4.31Å; Q287-W342 HydrophobicContact CB-CZ3 4.02Å; Q287-W342 VanDerWaalsContact CD-CG 3.42Å; Q287-W342 HydrophobicContact CG-CB 4.18Å; Q287-W342 HydrophobicContact CG-CD2 3.52Å; Q287-W342 HydrophobicContact CG-CE3 3.66Å; Q287-W342 HydrophobicContact CG-CG 3.76Å; Q287-W342 HydrophobicContact CG-CZ3 4.25Å
288	L	97.3	Very high	94.5	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-40.8	172.5	-67.5	167.5	0	0	0	111.6	L284 K285 R286 Q291 G292 L293 Y297 A307 L336 V339 M468	L284-L288 PolarHBondContact O-N 2.68Å; K285-L288 WeakPolarHBondContact O-CB 3.47Å; K285-L288 PolarHBondContact O-N 3.26Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.92Å; L288-Q291 PolarHBondContact O-N 3.01Å; L288-G292 PolarHBondContact O-N 3.35Å; L288-L293 HydrophobicContact CB-CB 4.45Å; L288-L293 HydrophobicContact CD2-CB 4.27Å; L288-L293 HydrophobicContact CD2-CD1 4.21Å; L288-L293 WeakPolarHBondContact O-CA 3.38Å; L288-L293 WeakPolarHBondContact O-CB 3.3Å; L288-L293 PolarHBondContact O-N 3.28Å; L288-Y297 HydrophobicContact CD1-CD2 3.73Å; L288-Y297 HydrophobicContact CD1-CE2 4.18Å; L288-Y297 HydrophobicContact CD1-CG 4.01Å; L288-A307 HydrophobicContact CD1-CB 3.87Å; L288-A307 HydrophobicContact CD2-CB 4.02Å; L288-L336 HydrophobicContact CD2-CD2 3.72Å; L288-V339 HydrophobicContact CD2-CG1 4.36Å; L288-V339 HydrophobicContact CD2-CG2 3.97Å; L288-M468 HydrophobicContact CD1-CE 3.75Å
289	S	96.4	Very high	95	Very high	61 Å²	61	55.7 Å²	55.7	43%	0.427	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-42.5	175.9	-168.7	0	0	0	0	112.7	K285 R286 Q287 Q291 G292	K285-S289 PolarHBondContact O-N 3.31Å; R286-S289 CarbonylContact O-C 3.55Å; R286-S289 WeakPolarHBondContact O-CA 3.49Å; R286-S289 VanDerWaalsContact O-CB 3.26Å; R286-S289 WeakPolarHBondContact O-CB 3.38Å; R286-S289 PolarHBondContact O-N 3.44Å; Q287-S289 PolarHBondContact O-N 3.01Å; S289-Q291 PolarHBondContact O-N 3.36Å; S289-G292 PolarHBondContact O-N 3.36Å
290	E	96.5	Very high	95.4	Very high	117 Å²	117	57.7 Å²	57.7	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-30.6	178	-69.8	172.4	-157	0	0	111.7	R286 Q287 G292	R286-E290 WeakPolarHBondContact CD-OE1 3.45Å; R286-E290 WeakPolarHBondContact CG-OE1 3.45Å; R286-E290 IonicContact NE-OE1 3.78Å; R286-E290 PolarHBondContact NE-OE1 2.8Å; R286-E290 VanDerWaalsContact NE-OE1 3.15Å; R286-E290 WeakPolarHBondContact O-CG 3.12Å; R286-E290 PolarHBondContact O-N 2.81Å; Q287-E290 PolarHBondContact O-N 2.97Å; Q287-E290 VanDerWaalsContact O-N 3.17Å; Q287-E290 PolarHBondContact OE1-OE2 2.84Å; E290-G292 VanDerWaalsContact C-N 3.29Å
291	Q	95.9	Very high	95.6	Very high	86 Å²	86	61 Å²	61	40%	0.402	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.4	172	-60.7	-58.7	-47.4	0	0	113.7	Q287 L288 S289 L293 V339	Q287-Q291 HydrophobicContact CG-CG 4.46Å; Q287-Q291 VanDerWaalsContact NE2-NE2 3.14Å; Q287-Q291 WeakPolarHBondContact O-CG 3.26Å; Q287-Q291 PolarHBondContact O-N 3.1Å; L288-Q291 PolarHBondContact O-N 3.01Å; S289-Q291 PolarHBondContact O-N 3.36Å; Q291-L293 VanDerWaalsContact C-N 3.27Å; Q291-L293 HydrophobicContact CB-CD1 3.96Å; Q291-L293 HydrophobicContact CB-CG 4.05Å; Q291-L293 PolarHBondContact O-N 3.44Å; Q291-V339 HydrophobicContact CB-CG2 4.38Å; Q291-V339 HydrophobicContact CG-CG2 3.9Å
292	G	96.7	Very high	95.8	Very high	61 Å²	61	66.1 Å²	66.1	63%	0.629	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	10.3	-179.5	0	0	0	0	0	115.3	L288 S289 E290	L288-G292 PolarHBondContact O-N 3.35Å; S289-G292 PolarHBondContact O-N 3.36Å; E290-G292 VanDerWaalsContact C-N 3.29Å
293	L	97.2	Very high	96.1	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.126	34%	0.341	C	S	.	.			trans	-91.7	-1.6	-172.6	-59.9	172.9	0	0	0	114	L288 Q291 S295 A296 Y297 E335 L336 V339	L288-L293 HydrophobicContact CB-CB 4.45Å; L288-L293 HydrophobicContact CD2-CB 4.27Å; L288-L293 HydrophobicContact CD2-CD1 4.21Å; L288-L293 WeakPolarHBondContact O-CA 3.38Å; L288-L293 WeakPolarHBondContact O-CB 3.3Å; L288-L293 PolarHBondContact O-N 3.28Å; Q291-L293 VanDerWaalsContact C-N 3.27Å; Q291-L293 HydrophobicContact CB-CD1 3.96Å; Q291-L293 HydrophobicContact CB-CG 4.05Å; Q291-L293 PolarHBondContact O-N 3.44Å; L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 2.89Å; L293-A296 PolarHBondContact O-N 3.35Å; L293-Y297 WeakPolarHBondContact O-CB 3.49Å; L293-Y297 PolarHBondContact O-N 2.91Å; L293-E335 VanDerWaalsContact CD1-O 3.25Å; L293-E335 WeakPolarHBondContact CD1-O 3.41Å; L293-E335 HydrophobicContact CD2-CB 4.03Å; L293-L336 HydrophobicContact CD1-CD2 4.21Å; L293-V339 HydrophobicContact CD1-CG2 3.97Å
294	L	95.5	Very high	96.3	Very high	57 Å²	57	56.9 Å²	56.9	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-37.7	-173.8	-173	63.2	0	0	0	112.8	K285 Y297 N298	K285-L294 HydrophobicContact CG-CD1 4.29Å; L294-Y297 HydrophobicContact CD1-CD1 4.47Å; L294-N298 VanDerWaalsContact O-CG 3.28Å; L294-N298 PolarHBondContact O-N 3.1Å; L294-N298 VanDerWaalsContact O-N 3.17Å; L294-N298 PolarHBondContact O-ND2 2.56Å
295	S	95.6	Very high	96.4	Very high	92 Å²	92	58.3 Å²	58.3	64%	0.643	34%	0.341	S	S	*	.	H	α-helix	trans	-65.6	-45.6	176.3	-170.7	0	0	0	0	111.4	L293 N298 S299	L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 2.89Å; S295-N298 PolarHBondContact O-N 3.08Å; S295-S299 PolarHBondContact O-N 3.26Å; S295-S299 PolarHBondContact O-OG 2.9Å
296	A	96.5	Very high	96.5	Very high	34 Å²	34	56.6 Å²	56.6	28%	0.281	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-42.6	177.6	0	0	0	0	0	111.1	L293 N298 S299 D300 L303	L293-A296 PolarHBondContact O-N 3.35Å; A296-N298 PolarHBondContact O-N 3.01Å; A296-S299 PolarHBondContact O-N 2.9Å; A296-S299 VanDerWaalsContact O-N 3.08Å; A296-S299 PolarHBondContact O-OG 2.87Å; A296-D300 WeakPolarHBondContact O-CB 3.45Å; A296-D300 PolarHBondContact O-N 3.35Å; A296-L303 HydrophobicContact CB-CD1 3.87Å; A296-L303 HydrophobicContact CB-CD2 4.41Å
297	Y	96.7	Very high	96.6	Very high	15 Å²	15	50.8 Å²	50.8	6%	0.059	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-35.9	174.7	173.6	-96.1	0	0	0	113	L288 L293 L294 A304 A307 M468	L288-Y297 HydrophobicContact CD1-CD2 3.73Å; L288-Y297 HydrophobicContact CD1-CE2 4.18Å; L288-Y297 HydrophobicContact CD1-CG 4.01Å; L293-Y297 WeakPolarHBondContact O-CB 3.49Å; L293-Y297 PolarHBondContact O-N 2.91Å; L294-Y297 HydrophobicContact CD1-CD1 4.47Å; Y297-A304 HydrophobicContact CD2-CB 4.09Å; Y297-A304 HydrophobicContact CE2-CB 4.03Å; Y297-A304 WeakPolarHBondContact O-CB 3.27Å; Y297-A307 HydrophobicContact CD2-CB 3.81Å; Y297-A307 HydrophobicContact CE2-CB 3.96Å; Y297-M468 HydrophobicContact CD2-CE 4.26Å; Y297-M468 HydrophobicContact CE2-CE 3.42Å; Y297-M468 VanDerWaalsContact CE2-CE 3.42Å
298	N	95.3	Very high	96.7	Very high	112 Å²	112	51.5 Å²	51.5	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-84.2	-11.9	-179.6	-68.5	-37	0	0	0	113.9	L294 S295 A296	L294-N298 VanDerWaalsContact O-CG 3.28Å; L294-N298 PolarHBondContact O-N 3.1Å; L294-N298 VanDerWaalsContact O-N 3.17Å; L294-N298 PolarHBondContact O-ND2 2.56Å; S295-N298 PolarHBondContact O-N 3.08Å; A296-N298 PolarHBondContact O-N 3.01Å
299	S	95.9	Very high	96.7	Very high	95 Å²	95	51.8 Å²	51.8	66%	0.664	32%	0.318	S	S	*	.	H	α-helix	trans	-122	-25.6	-172.4	53.2	0	0	0	0	114.5	S295 A296	S295-S299 PolarHBondContact O-N 3.26Å; S295-S299 PolarHBondContact O-OG 2.9Å; A296-S299 PolarHBondContact O-N 2.9Å; A296-S299 VanDerWaalsContact O-N 3.08Å; A296-S299 PolarHBondContact O-OG 2.87Å
300	D	96.6	Very high	96.8	Very high	63 Å²	63	49 Å²	49	34%	0.337	30%	0.298	S	S	.	.			trans	-105.4	114.2	176.4	-178.6	-16.8	0	0	0	110.5	A296 N302 L303 A304	A296-D300 WeakPolarHBondContact O-CB 3.45Å; A296-D300 PolarHBondContact O-N 3.35Å; D300-N302 VanDerWaalsContact C-N 3.33Å; D300-N302 PolarHBondContact O-N 3.12Å; D300-N302 WeakPolarHBondContact OD1-CA 3.23Å; D300-N302 WeakPolarHBondContact OD1-CB 3.3Å; D300-N302 PolarHBondContact OD1-N 3.21Å; D300-L303 HydrophobicContact CB-CB 3.93Å; D300-L303 PolarHBondContact O-N 3.01Å; D300-L303 PolarHBondContact OD1-N 2.89Å; D300-A304 WeakPolarHBondContact O-CB 3.18Å; D300-A304 PolarHBondContact O-N 3.2Å
301	A	96.2	Very high	96.8	Very high	69 Å²	69	43.4 Å²	43.4	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-36	179.9	0	0	0	0	0	113.4	I305	A301-I305 WeakPolarHBondContact O-CG1 3.36Å; A301-I305 PolarHBondContact O-N 3.15Å
302	N	96.1	Very high	96.9	Very high	113 Å²	113	39.3 Å²	39.3	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-72.7	-42.3	-179.4	-69.6	-36.1	0	0	0	110.7	D300 A304 I305 G306	D300-N302 VanDerWaalsContact C-N 3.33Å; D300-N302 PolarHBondContact O-N 3.12Å; D300-N302 WeakPolarHBondContact OD1-CA 3.23Å; D300-N302 WeakPolarHBondContact OD1-CB 3.3Å; D300-N302 PolarHBondContact OD1-N 3.21Å; N302-A304 VanDerWaalsContact C-N 3.31Å; N302-A304 PolarHBondContact O-N 3.28Å; N302-I305 PolarHBondContact O-N 3.13Å; N302-G306 PolarHBondContact O-N 3.2Å
303	L	97	Very high	96.9	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-41.1	174.6	-165.5	148.2	0	0	0	110.9	A296 D300 I305 G306 A307 L336	A296-L303 HydrophobicContact CB-CD1 3.87Å; A296-L303 HydrophobicContact CB-CD2 4.41Å; D300-L303 HydrophobicContact CB-CB 3.93Å; D300-L303 PolarHBondContact O-N 3.01Å; D300-L303 PolarHBondContact OD1-N 2.89Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 3.27Å; L303-G306 PolarHBondContact O-N 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 3.19Å; L303-L336 HydrophobicContact CD2-CD2 4.13Å; L303-L336 HydrophobicContact CG-CD1 4.28Å; L303-L336 HydrophobicContact CG-CD2 4.32Å; L303-L336 HydrophobicContact CG-CG 4.31Å
304	A	97.5	Very high	96.8	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-42	175.9	0	0	0	0	0	112.4	Y297 D300 N302 R308	Y297-A304 HydrophobicContact CD2-CB 4.09Å; Y297-A304 HydrophobicContact CE2-CB 4.03Å; Y297-A304 WeakPolarHBondContact O-CB 3.27Å; D300-A304 WeakPolarHBondContact O-CB 3.18Å; D300-A304 PolarHBondContact O-N 3.2Å; N302-A304 VanDerWaalsContact C-N 3.31Å; N302-A304 PolarHBondContact O-N 3.28Å; A304-R308 WeakPolarHBondContact O-CG 3.27Å; A304-R308 PolarHBondContact O-N 3.22Å; A304-R308 VanDerWaalsContact O-N 3.14Å; A304-R308 PolarHBondContact O-NH1 3.42Å
305	I	97.7	Very high	96.8	Very high	31 Å²	31	32.6 Å²	32.6	16%	0.159	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-49	174.6	-72.6	167.9	0	0	0	110.4	A301 N302 L303 A307 R308 M309 R460	A301-I305 WeakPolarHBondContact O-CG1 3.36Å; A301-I305 PolarHBondContact O-N 3.15Å; N302-I305 PolarHBondContact O-N 3.13Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 3.27Å; I305-A307 VanDerWaalsContact C-N 3.32Å; I305-A307 PolarHBondContact O-N 3.14Å; I305-R308 CarbonylContact O-C 3.5Å; I305-R308 WeakPolarHBondContact O-CA 3.26Å; I305-R308 WeakPolarHBondContact O-CB 3.27Å; I305-R308 PolarHBondContact O-N 3.39Å; I305-M309 HydrophobicContact CG2-CG 4.31Å; I305-M309 HydrophobicContact CG2-SD 4.06Å; I305-M309 WeakPolarHBondContact O-CG 3.43Å; I305-M309 PolarHBondContact O-N 3.14Å; I305-R460 HydrophobicContact CG2-CG 4.32Å
306	G	98.1	Very high	96.8	Very high	7 Å²	7	28.2 Å²	28.2	7%	0.072	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-44.4	179	0	0	0	0	0	112.5	N302 L303 R308 M309 I310 L332	N302-G306 PolarHBondContact O-N 3.2Å; L303-G306 PolarHBondContact O-N 3.28Å; G306-R308 VanDerWaalsContact C-N 3.3Å; G306-R308 PolarHBondContact O-N 2.76Å; G306-M309 WeakPolarHBondContact O-CB 3.3Å; G306-M309 PolarHBondContact O-N 3.36Å; G306-I310 PolarHBondContact O-N 3.27Å; G306-L332 WeakPolarHBondContact O-CD2 3.49Å
307	A	98	Very high	96.7	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-37.3	175.9	0	0	0	0	0	112.3	L288 Y297 L303 I305 M309 I310 A311 L336 M468	L288-A307 HydrophobicContact CD1-CB 3.87Å; L288-A307 HydrophobicContact CD2-CB 4.02Å; Y297-A307 HydrophobicContact CD2-CB 3.81Å; Y297-A307 HydrophobicContact CE2-CB 3.96Å; L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 3.19Å; I305-A307 VanDerWaalsContact C-N 3.32Å; I305-A307 PolarHBondContact O-N 3.14Å; A307-M309 VanDerWaalsContact C-N 3.35Å; A307-I310 PolarHBondContact O-N 2.64Å; A307-A311 PolarHBondContact O-N 3.45Å; A307-L336 HydrophobicContact CB-CD1 4.44Å; A307-L336 HydrophobicContact CB-CD2 3.99Å; A307-M468 HydrophobicContact CB-CE 3.88Å
308	R	97.9	Very high	96.6	Very high	26 Å²	26	29 Å²	29	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-71.2	-27.8	173.1	-71.8	-167.6	-55.3	-85.3	2.7	112.8	A304 I305 G306 I310 A311 S312 A463 F466 M468	A304-R308 WeakPolarHBondContact O-CG 3.27Å; A304-R308 PolarHBondContact O-N 3.22Å; A304-R308 VanDerWaalsContact O-N 3.14Å; A304-R308 PolarHBondContact O-NH1 3.42Å; I305-R308 CarbonylContact O-C 3.5Å; I305-R308 WeakPolarHBondContact O-CA 3.26Å; I305-R308 WeakPolarHBondContact O-CB 3.27Å; I305-R308 PolarHBondContact O-N 3.39Å; G306-R308 VanDerWaalsContact C-N 3.3Å; G306-R308 PolarHBondContact O-N 2.76Å; R308-I310 VanDerWaalsContact C-N 3.29Å; R308-I310 PolarHBondContact O-N 3.01Å; R308-A311 CarbonylContact O-C 3.6Å; R308-A311 PolarHBondContact O-N 3.2Å; R308-S312 WeakPolarHBondContact O-CB 2.8Å; R308-S312 PolarHBondContact O-N 3.41Å; R308-S312 PolarHBondContact O-OG 3.04Å; R308-A463 HydrophobicContact CB-CB 3.67Å; R308-A463 PolarHBondContact NE-O 3.01Å; R308-F466 HydrophobicContact CB-CE2 4.35Å; R308-F466 HydrophobicContact CB-CZ 4.04Å; R308-F466 WeakPolarHBondContact CD-O 3.39Å; R308-F466 HydrophobicContact CG-CE2 4.2Å; R308-F466 HydrophobicContact CG-CZ 4.39Å; R308-F466 PolarHBondContact NE-O 3.46Å; R308-F466 WeakPolarHBondContact O-CZ 3.31Å; R308-M468 HydrophobicContact CG-CE 4.01Å; R308-M468 HydrophobicContact CG-CG 4.19Å
309	M	98.3	Very high	96.5	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-34.4	172.8	-69.1	172.8	67.3	0	0	111.7	I305 G306 A307 S312 L313 L328 V331 V456 L459 R460 A463	I305-M309 HydrophobicContact CG2-CG 4.31Å; I305-M309 HydrophobicContact CG2-SD 4.06Å; I305-M309 WeakPolarHBondContact O-CG 3.43Å; I305-M309 PolarHBondContact O-N 3.14Å; G306-M309 WeakPolarHBondContact O-CB 3.3Å; G306-M309 PolarHBondContact O-N 3.36Å; A307-M309 VanDerWaalsContact C-N 3.35Å; M309-S312 WeakPolarHBondContact O-CB 3.49Å; M309-S312 PolarHBondContact O-N 2.86Å; M309-S312 VanDerWaalsContact O-N 3.11Å; M309-L313 PolarHBondContact O-N 3.2Å; M309-L328 HydrophobicContact CB-CD1 3.75Å; M309-L328 HydrophobicContact CE-CD1 3.73Å; M309-V331 HydrophobicContact CE-CG2 4.46Å; M309-V456 HydrophobicContact CE-CG1 3.95Å; M309-L459 HydrophobicContact CB-CB 4.33Å; M309-L459 HydrophobicContact CE-CB 4.09Å; M309-L459 HydrophobicContact CG-CB 4.44Å; M309-R460 HydrophobicContact CE-CB 4.04Å; M309-R460 HydrophobicContact CG-CB 4.5Å; M309-R460 HydrophobicContact SD-CB 4.04Å; M309-R460 HydrophobicContact SD-CG 4.28Å; M309-A463 HydrophobicContact CG-CB 3.78Å
310	I	98.1	Very high	96.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-49.1	171.3	-57.3	173.1	0	0	0	110.3	L284 G306 A307 R308 S312 L313 L328 L332 L336 V339 L340 F343	L284-I310 HydrophobicContact CD2-CG2 3.76Å; G306-I310 PolarHBondContact O-N 3.27Å; A307-I310 PolarHBondContact O-N 2.64Å; R308-I310 VanDerWaalsContact C-N 3.29Å; R308-I310 PolarHBondContact O-N 3.01Å; I310-S312 PolarHBondContact O-N 2.8Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 WeakPolarHBondContact O-CD1 3.21Å; I310-L313 WeakPolarHBondContact O-CG 3.48Å; I310-L313 PolarHBondContact O-N 3.18Å; I310-L328 HydrophobicContact CG1-CD2 4.05Å; I310-L332 HydrophobicContact CD1-CD1 4.04Å; I310-L332 HydrophobicContact CG1-CD1 3.93Å; I310-L336 HydrophobicContact CD1-CB 4.34Å; I310-V339 HydrophobicContact CD1-CB 4.08Å; I310-V339 HydrophobicContact CD1-CG1 3.94Å; I310-L340 HydrophobicContact CD1-CB 4.24Å; I310-L340 HydrophobicContact CG1-CD1 4.43Å; I310-L340 HydrophobicContact CG2-CD1 4.32Å; I310-F343 HydrophobicContact CG2-CB 3.98Å; I310-F343 HydrophobicContact CG2-CD1 4.45Å; I310-F343 HydrophobicContact CG2-CD2 4.35Å; I310-F343 HydrophobicContact CG2-CG 3.97Å
311	A	96.8	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-27	174.2	0	0	0	0	0	113.1	F280 L284 A307 R308 L313 A314 F466 M468	F280-A311 HydrophobicContact CE1-CB 4.4Å; L284-A311 HydrophobicContact CD1-CB 3.55Å; A307-A311 PolarHBondContact O-N 3.45Å; R308-A311 CarbonylContact O-C 3.6Å; R308-A311 PolarHBondContact O-N 3.2Å; A311-L313 PolarHBondContact O-N 3.33Å; A311-A314 PolarHBondContact O-N 3.45Å; A311-F466 HydrophobicContact CB-CE2 3.88Å; A311-F466 HydrophobicContact CB-CZ 3.68Å; A311-M468 HydrophobicContact CB-SD 4.03Å
312	S	97	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.1	-13.7	-179.1	-58.1	0	0	0	0	113.5	R308 M309 I310 A314 F315 L459 V462 A463	R308-S312 WeakPolarHBondContact O-CB 2.8Å; R308-S312 PolarHBondContact O-N 3.41Å; R308-S312 PolarHBondContact O-OG 3.04Å; M309-S312 WeakPolarHBondContact O-CB 3.49Å; M309-S312 PolarHBondContact O-N 2.86Å; M309-S312 VanDerWaalsContact O-N 3.11Å; I310-S312 PolarHBondContact O-N 2.8Å; S312-A314 PolarHBondContact O-N 2.83Å; S312-A314 VanDerWaalsContact O-N 3.08Å; S312-F315 PolarHBondContact O-N 2.61Å; S312-L459 WeakPolarHBondContact CB-O 3.45Å; S312-L459 PolarHBondContact OG-O 3.03Å; S312-V462 WeakPolarHBondContact OG-CG1 3.39Å; S312-A463 PolarHBondContact OG-N 2.83Å
313	L	97.4	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-58.7	-18.9	171.3	-65.8	168.8	0	0	0	112.2	M309 I310 A311 F315 M316 L321 I325 L328 L340 F343 L459	M309-L313 PolarHBondContact O-N 3.2Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 WeakPolarHBondContact O-CD1 3.21Å; I310-L313 WeakPolarHBondContact O-CG 3.48Å; I310-L313 PolarHBondContact O-N 3.18Å; A311-L313 PolarHBondContact O-N 3.33Å; L313-F315 PolarHBondContact O-N 2.99Å; L313-M316 HydrophobicContact CD2-SD 3.57Å; L313-M316 VanDerWaalsContact CD2-SD 3.57Å; L313-M316 WeakPolarHBondContact O-CG 3.29Å; L313-L321 HydrophobicContact CB-CD2 4.29Å; L313-I325 HydrophobicContact CD1-CG1 4.02Å; L313-L328 HydrophobicContact CD1-CD2 4.05Å; L313-L328 HydrophobicContact CD2-CD2 4.41Å; L313-L328 HydrophobicContact CG-CD2 4.28Å; L313-L340 HydrophobicContact CD1-CD1 4.12Å; L313-F343 HydrophobicContact CB-CE1 4.19Å; L313-F343 HydrophobicContact CB-CZ 3.99Å; L313-F343 HydrophobicContact CD1-CD1 3.72Å; L313-F343 HydrophobicContact CD1-CE1 3.3Å; L313-F343 HydrophobicContact CD1-CZ 3.92Å; L313-F343 HydrophobicContact CG-CE1 4.36Å; L313-L459 HydrophobicContact CD2-CD1 3.91Å; L313-L459 HydrophobicContact CD2-CD2 3.91Å; L313-L459 HydrophobicContact CG-CD2 4.33Å
314	A	95.4	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-71.8	-14.3	173.2	0	0	0	0	0	113.7	F277 F280 A311 S312 W367 S368 I369 Y370	F277-A314 HydrophobicContact CD2-CB 4.16Å; F277-A314 HydrophobicContact CE2-CB 4.08Å; F280-A314 HydrophobicContact CD1-CB 4.48Å; F280-A314 HydrophobicContact CE1-CB 3.98Å; F280-A314 HydrophobicContact CZ-CB 4.5Å; A311-A314 PolarHBondContact O-N 3.45Å; S312-A314 PolarHBondContact O-N 2.83Å; S312-A314 VanDerWaalsContact O-N 3.08Å; A314-W367 VanDerWaalsContact CA-CZ3 3.46Å; A314-W367 HydrophobicContact CB-CE3 3.88Å; A314-W367 HydrophobicContact CB-CZ3 3.79Å; A314-S368 PolarHBondContact O-OG 3.21Å; A314-I369 HydrophobicContact CB-CG1 4.02Å; A314-I369 CarbonylContact O-C 3.46Å; A314-I369 VanDerWaalsContact O-CG1 3.24Å; A314-I369 WeakPolarHBondContact O-CG1 3.32Å; A314-I369 PolarHBondContact O-N 2.66Å; A314-Y370 PolarHBondContact O-N 3.27Å; A314-Y370 VanDerWaalsContact O-N 3.1Å
315	F	95.1	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-108	26.2	-177.5	-62	-99.6	0	0	0	112.4	F277 S312 L313 I369 Y370 L443 V447 H458 V462 F466	F277-F315 HydrophobicContact CD1-CZ 4.38Å; F277-F315 HydrophobicContact CD2-CE2 4.22Å; F277-F315 HydrophobicContact CD2-CZ 4.5Å; F277-F315 HydrophobicContact CE1-CE2 4.03Å; F277-F315 AromaticContact CE1-CZ 3.96Å; F277-F315 HydrophobicContact CE1-CZ 3.96Å; F277-F315 HydrophobicContact CE2-CD2 4.33Å; F277-F315 AromaticContact CE2-CE2 3.48Å; F277-F315 HydrophobicContact CE2-CE2 3.48Å; F277-F315 VanDerWaalsContact CE2-CE2 3.48Å; F277-F315 HydrophobicContact CE2-CZ 4.08Å; F277-F315 AromaticContact CZ-CE2 3.39Å; F277-F315 HydrophobicContact CZ-CE2 3.39Å; F277-F315 AromaticContact CZ-CZ 3.81Å; F277-F315 HydrophobicContact CZ-CZ 3.81Å; S312-F315 PolarHBondContact O-N 2.61Å; L313-F315 PolarHBondContact O-N 2.99Å; F315-I369 HydrophobicContact CD1-CD1 3.69Å; F315-I369 HydrophobicContact CD1-CG1 3.98Å; F315-I369 HydrophobicContact CD2-CD1 4.06Å; F315-I369 HydrophobicContact CD2-CG1 4.32Å; F315-I369 HydrophobicContact CE1-CD1 3.21Å; F315-I369 HydrophobicContact CE1-CG1 4.03Å; F315-I369 HydrophobicContact CE2-CD1 3.67Å; F315-I369 HydrophobicContact CE2-CG1 4.41Å; F315-I369 HydrophobicContact CG-CD1 4.11Å; F315-I369 HydrophobicContact CG-CG1 4.16Å; F315-I369 HydrophobicContact CZ-CD1 3.23Å; F315-I369 HydrophobicContact CZ-CG1 4.27Å; F315-Y370 WeakPolarHBondContact O-CD2 3.5Å; F315-L443 HydrophobicContact CD1-CD2 4.29Å; F315-L443 HydrophobicContact CE1-CB 4.31Å; F315-L443 HydrophobicContact CE1-CD1 3.97Å; F315-L443 HydrophobicContact CE1-CD2 3.87Å; F315-L443 HydrophobicContact CE1-CG 4.28Å; F315-L443 HydrophobicContact CZ-CD1 4.11Å; F315-L443 HydrophobicContact CZ-CD2 4.11Å; F315-V447 HydrophobicContact CB-CG2 4.05Å; F315-V447 HydrophobicContact CD1-CG2 4.07Å; F315-H458 PolarHBondContact O-NE2 2.97Å; F315-V462 HydrophobicContact CB-CG1 3.79Å; F315-V462 HydrophobicContact CB-CG2 4.08Å; F315-V462 HydrophobicContact CD1-CG1 4.18Å; F315-V462 HydrophobicContact CD2-CG1 3.32Å; F315-V462 HydrophobicContact CE2-CG1 3.73Å; F315-V462 HydrophobicContact CG-CG1 3.53Å; F315-V462 HydrophobicContact CZ-CG1 4.32Å; F315-F466 HydrophobicContact CE2-CD1 4.43Å; F315-F466 HydrophobicContact CE2-CE1 4.21Å
316	M	94.9	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-127	157.8	174.7	70.5	-177.1	-67	0	0	111.1	L313 T318 H320 L321 Y370 Y450 L459	L313-M316 HydrophobicContact CD2-SD 3.57Å; L313-M316 VanDerWaalsContact CD2-SD 3.57Å; L313-M316 WeakPolarHBondContact O-CG 3.29Å; M316-T318 PolarHBondContact O-N 3.04Å; M316-H320 HydrophobicContact CE-CB 3.56Å; M316-H320 WeakPolarHBondContact CE-O 3.5Å; M316-L321 HydrophobicContact CG-CD2 3.93Å; M316-L321 HydrophobicContact SD-CD2 4.14Å; M316-Y370 VanDerWaalsContact C-CD2 3.43Å; M316-Y370 WeakPolarHBondContact O-CB 3.14Å; M316-Y450 HydrophobicContact CB-CD2 4.39Å; M316-Y450 HydrophobicContact CB-CE2 3.85Å; M316-Y450 HydrophobicContact CE-CE2 4.46Å; M316-L459 HydrophobicContact SD-CD2 4.08Å
317	P	95.4	Very high	95.9	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.144	C	C	.	.			trans	-56.2	135.9	176.6	-19.3	29.3	0	0	0	110.8	E319 H320 Y370 Y450	P317-E319 HydrophobicContact CB-CG 4.14Å; P317-E319 VanDerWaalsContact CB-OE1 3.3Å; P317-E319 WeakPolarHBondContact CB-OE1 3.39Å; P317-E319 WeakPolarHBondContact CB-OE2 3.41Å; P317-E319 PolarHBondContact O-N 3.4Å; P317-H320 PolarHBondContact O-N 3.28Å; P317-Y370 HydrophobicContact CB-CD1 4.46Å; P317-Y370 HydrophobicContact CB-CE1 4.23Å; P317-Y370 HydrophobicContact CG-CD1 4.41Å; P317-Y370 HydrophobicContact CG-CD2 4.3Å; P317-Y370 HydrophobicContact CG-CE1 3.91Å; P317-Y370 HydrophobicContact CG-CE2 3.76Å; P317-Y450 HydrophobicContact CG-CD1 3.78Å; P317-Y450 HydrophobicContact CG-CE1 3.76Å; P317-Y450 HydrophobicContact CG-CG 4.26Å
318	T	93.8	Very high	95.8	Very high	65 Å²	65	28.9 Å²	28.9	40%	0.399	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-63.6	-28.7	-174.1	48	0	0	0	0	112.8	M316 H320 L321 P364	M316-T318 PolarHBondContact O-N 3.04Å; T318-H320 PolarHBondContact O-N 2.95Å; T318-L321 HydrophobicContact CG2-CD1 4.25Å; T318-L321 WeakPolarHBondContact O-CB 3.48Å; T318-L321 WeakPolarHBondContact O-CG 3.43Å; T318-L321 PolarHBondContact O-N 3.1Å; T318-P364 HydrophobicContact CG2-CB 3.71Å
319	E	93.1	Very high	95.8	Very high	124 Å²	124	29.9 Å²	29.9	58%	0.579	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-67.3	-19.5	176.1	64.8	-89.7	-152.3	0	0	113.7	P317	P317-E319 HydrophobicContact CB-CG 4.14Å; P317-E319 VanDerWaalsContact CB-OE1 3.3Å; P317-E319 WeakPolarHBondContact CB-OE1 3.39Å; P317-E319 WeakPolarHBondContact CB-OE2 3.41Å; P317-E319 PolarHBondContact O-N 3.4Å
320	H	94.9	Very high	95.7	Very high	36 Å²	36	37.5 Å²	37.5	17%	0.167	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-100.8	6	178.4	-58.7	149.1	0	0	0	112.7	M316 P317 T318 E322 E323 G324 Y450	M316-H320 HydrophobicContact CE-CB 3.56Å; M316-H320 WeakPolarHBondContact CE-O 3.5Å; P317-H320 PolarHBondContact O-N 3.28Å; T318-H320 PolarHBondContact O-N 2.95Å; H320-E322 PolarHBondContact O-N 3.02Å; H320-E323 PolarHBondContact O-N 3.18Å; H320-G324 PolarHBondContact O-N 3.14Å; H320-Y450 AromaticContact CE1-CE1 3.63Å; H320-Y450 AromaticContact ND1-CE1 3.21Å; H320-Y450 WeakPolarHBondContact ND1-CE1 3.4Å; H320-Y450 AromaticContact ND1-CZ 3.46Å; H320-Y450 PolarHBondContact ND1-OH 3.06Å; H320-Y450 VanDerWaalsContact ND1-OH 3.07Å
321	L	93.9	Very high	95.7	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-38.8	-173.4	-77.9	172	0	0	0	113.8	L313 M316 T318 G324 I325 P364 W367	L313-L321 HydrophobicContact CB-CD2 4.29Å; M316-L321 HydrophobicContact CG-CD2 3.93Å; M316-L321 HydrophobicContact SD-CD2 4.14Å; T318-L321 HydrophobicContact CG2-CD1 4.25Å; T318-L321 WeakPolarHBondContact O-CB 3.48Å; T318-L321 WeakPolarHBondContact O-CG 3.43Å; T318-L321 PolarHBondContact O-N 3.1Å; L321-G324 WeakPolarHBondContact O-CA 3.31Å; L321-G324 PolarHBondContact O-N 2.61Å; L321-I325 WeakPolarHBondContact O-CG1 3.38Å; L321-I325 PolarHBondContact O-N 3.29Å; L321-P364 HydrophobicContact CD1-CB 3.87Å; L321-P364 HydrophobicContact CD1-CG 3.91Å; L321-W367 HydrophobicContact CD1-CH2 3.98Å; L321-W367 HydrophobicContact CD1-CZ2 3.82Å; L321-W367 HydrophobicContact CD2-CH2 3.74Å; L321-W367 HydrophobicContact CD2-CZ2 4.38Å
322	E	92.5	Very high	95.7	Very high	108 Å²	108	41.9 Å²	41.9	51%	0.505	21%	0.209	S	C	.	.	H	α-helix	trans	-67.3	-43.4	179.9	-60.3	-166.4	155.6	0	0	111.9	H320 G324 I325 T326 R357	H320-E322 PolarHBondContact O-N 3.02Å; E322-G324 VanDerWaalsContact C-N 3.32Å; E322-I325 PolarHBondContact O-N 3.05Å; E322-T326 WeakPolarHBondContact O-CB 3.48Å; E322-T326 PolarHBondContact O-N 2.87Å; E322-T326 PolarHBondContact O-OG1 3.07Å; E322-R357 IonicContact OE1-CZ 3.25Å; E322-R357 IonicContact OE1-NE 3.9Å; E322-R357 PolarHBondContact OE1-NE 2.85Å; E322-R357 IonicContact OE1-NH2 3.37Å; E322-R357 PolarHBondContact OE1-NH2 3.28Å
323	E	94.8	Very high	95.7	Very high	105 Å²	105	44.5 Å²	44.5	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-42.9	172.5	-165	-174.5	173.4	0	0	110.2	H320 I325 T326 E327 I455	H320-E323 PolarHBondContact O-N 3.18Å; E323-I325 PolarHBondContact O-N 3.15Å; E323-T326 PolarHBondContact O-N 3.06Å; E323-E327 HydrophobicContact CG-CG 4.48Å; E323-E327 WeakPolarHBondContact O-CG 3.2Å; E323-E327 PolarHBondContact O-N 2.81Å; E323-I455 HydrophobicContact CB-CD1 3.94Å; E323-I455 HydrophobicContact CG-CD1 3.47Å; E323-I455 VanDerWaalsContact CG-CD1 3.47Å
324	G	96.6	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-50.9	-52.8	172.8	0	0	0	0	0	113.5	H320 L321 E322 L328	H320-G324 PolarHBondContact O-N 3.14Å; L321-G324 WeakPolarHBondContact O-CA 3.31Å; L321-G324 PolarHBondContact O-N 2.61Å; E322-G324 VanDerWaalsContact C-N 3.32Å; G324-L328 WeakPolarHBondContact O-CB 3.28Å; G324-L328 PolarHBondContact O-N 3.28Å
325	I	96.1	Very high	95.7	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-43.2	178.3	-71.9	165.1	0	0	0	110.7	L313 L321 E322 E323 L328 S329 L340 F343 E344 V348	L313-I325 HydrophobicContact CD1-CG1 4.02Å; L321-I325 WeakPolarHBondContact O-CG1 3.38Å; L321-I325 PolarHBondContact O-N 3.29Å; E322-I325 PolarHBondContact O-N 3.05Å; E323-I325 PolarHBondContact O-N 3.15Å; I325-L328 PolarHBondContact O-N 3.01Å; I325-S329 WeakPolarHBondContact O-CB 3.5Å; I325-S329 PolarHBondContact O-N 3.47Å; I325-L340 HydrophobicContact CG1-CD1 4.38Å; I325-L340 HydrophobicContact CG2-CD1 4.32Å; I325-L340 HydrophobicContact CG2-CD2 4.26Å; I325-L340 HydrophobicContact CG2-CG 4.34Å; I325-F343 HydrophobicContact CD1-CE1 4.29Å; I325-E344 HydrophobicContact CD1-CB 4.28Å; I325-E344 HydrophobicContact CD1-CG 4.1Å; I325-V348 HydrophobicContact CD1-CB 4.43Å; I325-V348 HydrophobicContact CD1-CG1 4.49Å; I325-V348 HydrophobicContact CD1-CG2 3.79Å
326	T	96	Very high	95.8	Very high	63 Å²	63	53.4 Å²	53.4	39%	0.387	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-52.6	-179.4	-59.3	0	0	0	0	111.2	E322 E323 L328 S329 R330	E322-T326 WeakPolarHBondContact O-CB 3.48Å; E322-T326 PolarHBondContact O-N 2.87Å; E322-T326 PolarHBondContact O-OG1 3.07Å; E323-T326 PolarHBondContact O-N 3.06Å; T326-L328 VanDerWaalsContact C-N 3.32Å; T326-L328 PolarHBondContact O-N 3.32Å; T326-S329 PolarHBondContact O-N 2.96Å; T326-S329 PolarHBondContact O-OG 3.06Å; T326-R330 PolarHBondContact O-N 3.46Å
327	E	97.3	Very high	95.9	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-38.1	178.8	-67	-53.2	138.5	0	0	111.8	E323 S329 R330 I455 V456	E323-E327 HydrophobicContact CG-CG 4.48Å; E323-E327 WeakPolarHBondContact O-CG 3.2Å; E323-E327 PolarHBondContact O-N 2.81Å; E327-S329 PolarHBondContact O-N 3.44Å; E327-R330 PolarHBondContact O-N 3.24Å; E327-R330 IonicContact OE1-CZ 3.33Å; E327-R330 IonicContact OE1-NH1 2.64Å; E327-R330 PolarHBondContact OE1-NH1 2.88Å; E327-R330 IonicContact OE1-NH2 3.7Å; E327-R330 IonicContact OE2-CZ 3.95Å; E327-R330 IonicContact OE2-NH1 3.08Å; E327-R330 PolarHBondContact OE2-NH1 3.16Å; E327-R330 VanDerWaalsContact OE2-NH1 3.08Å; E327-I455 HydrophobicContact CB-CG2 4.14Å; E327-V456 HydrophobicContact CB-CG2 3.98Å
328	L	97	Very high	96	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176	-175.8	60.5	0	0	0	111.6	M309 I310 L313 G324 I325 T326 R330 V331 L332 L340 L459	M309-L328 HydrophobicContact CB-CD1 3.75Å; M309-L328 HydrophobicContact CE-CD1 3.73Å; I310-L328 HydrophobicContact CG1-CD2 4.05Å; L313-L328 HydrophobicContact CD1-CD2 4.05Å; L313-L328 HydrophobicContact CD2-CD2 4.41Å; L313-L328 HydrophobicContact CG-CD2 4.28Å; G324-L328 WeakPolarHBondContact O-CB 3.28Å; G324-L328 PolarHBondContact O-N 3.28Å; I325-L328 PolarHBondContact O-N 3.01Å; T326-L328 VanDerWaalsContact C-N 3.32Å; T326-L328 PolarHBondContact O-N 3.32Å; L328-R330 PolarHBondContact O-N 3.27Å; L328-V331 HydrophobicContact CD1-CG2 4.32Å; L328-V331 WeakPolarHBondContact O-CG2 3.47Å; L328-V331 PolarHBondContact O-N 3.34Å; L328-V331 VanDerWaalsContact O-N 3.15Å; L328-L332 HydrophobicContact CD1-CD1 4.15Å; L328-L332 HydrophobicContact CD1-CD2 3.84Å; L328-L332 HydrophobicContact CD1-CG 3.69Å; L328-L332 HydrophobicContact CD2-CD1 4.13Å; L328-L332 HydrophobicContact CG-CD1 3.67Å; L328-L332 HydrophobicContact CG-CD2 4.3Å; L328-L332 HydrophobicContact CG-CG 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 VanDerWaalsContact O-CG 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.34Å; L328-L332 PolarHBondContact O-N 3.47Å; L328-L340 HydrophobicContact CD2-CD1 4.02Å; L328-L459 HydrophobicContact CB-CD1 4.19Å; L328-L459 HydrophobicContact CD1-CD1 4.27Å; L328-L459 HydrophobicContact CD2-CD1 4.32Å; L328-L459 HydrophobicContact CG-CD1 4.5Å
329	S	97	Very high	96.2	Very high	48 Å²	48	56.5 Å²	56.5	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-28.6	179.4	75.8	0	0	0	0	113.7	I325 T326 E327	I325-S329 WeakPolarHBondContact O-CB 3.5Å; I325-S329 PolarHBondContact O-N 3.47Å; T326-S329 PolarHBondContact O-N 2.96Å; T326-S329 PolarHBondContact O-OG 3.06Å; E327-S329 PolarHBondContact O-N 3.44Å
330	R	97.3	Very high	96.4	Very high	168 Å²	168	50.9 Å²	50.9	63%	0.634	26%	0.263	S	S	*	.	H	α-helix	trans	-75.3	-25.4	179.3	-65.3	175.9	-176.2	162	6.2	113.5	T326 E327 L328	T326-R330 PolarHBondContact O-N 3.46Å; E327-R330 PolarHBondContact O-N 3.24Å; E327-R330 IonicContact OE1-CZ 3.33Å; E327-R330 IonicContact OE1-NH1 2.64Å; E327-R330 PolarHBondContact OE1-NH1 2.88Å; E327-R330 IonicContact OE1-NH2 3.7Å; E327-R330 IonicContact OE2-CZ 3.95Å; E327-R330 IonicContact OE2-NH1 3.08Å; E327-R330 PolarHBondContact OE2-NH1 3.16Å; E327-R330 VanDerWaalsContact OE2-NH1 3.08Å; L328-R330 PolarHBondContact O-N 3.27Å
331	V	96.9	Very high	96.4	Very high	74 Å²	74	51.2 Å²	51.2	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-112	-14.3	-173.3	-57.5	0	0	0	0	113.3	M309 L328 V456	M309-V331 HydrophobicContact CE-CG2 4.46Å; L328-V331 HydrophobicContact CD1-CG2 4.32Å; L328-V331 WeakPolarHBondContact O-CG2 3.47Å; L328-V331 PolarHBondContact O-N 3.34Å; L328-V331 VanDerWaalsContact O-N 3.15Å; V331-V456 HydrophobicContact CG1-CG1 4.38Å; V331-V456 HydrophobicContact CG1-CG2 4.27Å; V331-V456 HydrophobicContact CG2-CG1 3.93Å; V331-V456 HydrophobicContact CG2-CG2 4.11Å
332	L	96.6	Very high	96.4	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.099	28%	0.281	C	S	.	.	S	Bend	trans	-68.6	147.6	174.9	-80.9	-179	0	0	0	111.4	G306 I310 L328 L336 L337 L340	G306-L332 WeakPolarHBondContact O-CD2 3.49Å; I310-L332 HydrophobicContact CD1-CD1 4.04Å; I310-L332 HydrophobicContact CG1-CD1 3.93Å; L328-L332 HydrophobicContact CD1-CD1 4.15Å; L328-L332 HydrophobicContact CD1-CD2 3.84Å; L328-L332 HydrophobicContact CD1-CG 3.69Å; L328-L332 HydrophobicContact CD2-CD1 4.13Å; L328-L332 HydrophobicContact CG-CD1 3.67Å; L328-L332 HydrophobicContact CG-CD2 4.3Å; L328-L332 HydrophobicContact CG-CG 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 VanDerWaalsContact O-CG 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.34Å; L328-L332 PolarHBondContact O-N 3.47Å; L332-L336 HydrophobicContact CD1-CB 4.34Å; L332-L336 HydrophobicContact CD2-CB 4.4Å; L332-L336 HydrophobicContact CD2-CD1 3.9Å; L332-L337 HydrophobicContact CB-CD2 4.3Å; L332-L340 HydrophobicContact CD1-CB 4.13Å; L332-L340 HydrophobicContact CD1-CD2 3.85Å; L332-L340 HydrophobicContact CD1-CG 4.45Å
333	Q	96.9	Very high	96.5	Very high	54 Å²	54	48.6 Å²	48.6	25%	0.252	26%	0.257	S	S	.	.			trans	-60.2	142.6	165.8	-62.8	168.6	-14.8	0	0	109.7	E335 L336	Q333-E335 WeakPolarHBondContact CB-OE2 3.18Å; Q333-E335 PolarHBondContact O-N 2.93Å; Q333-E335 VanDerWaalsContact O-N 3.16Å; Q333-L336 PolarHBondContact O-N 2.94Å
334	S	96.8	Very high	96.5	Very high	86 Å²	86	46.1 Å²	46.1	60%	0.601	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.7	-30.8	-172.4	54.9	0	0	0	0	112.4	L336 L337	S334-L336 PolarHBondContact O-N 3.37Å; S334-L337 WeakPolarHBondContact O-CB 3.3Å; S334-L337 PolarHBondContact O-N 3.03Å
335	E	96.9	Very high	96.2	Very high	102 Å²	102	49.4 Å²	49.4	48%	0.477	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62	-26.6	176	-59.2	91	154.6	0	0	113.1	L293 Q333 P338	L293-E335 VanDerWaalsContact CD1-O 3.25Å; L293-E335 WeakPolarHBondContact CD1-O 3.41Å; L293-E335 HydrophobicContact CD2-CB 4.03Å; Q333-E335 WeakPolarHBondContact CB-OE2 3.18Å; Q333-E335 PolarHBondContact O-N 2.93Å; Q333-E335 VanDerWaalsContact O-N 3.16Å; E335-P338 WeakPolarHBondContact O-CD 3.33Å
336	L	97.9	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-89.5	-11.9	-180	-69	174.1	0	0	0	113.4	L288 L293 L303 A307 I310 L332 Q333 S334 V339 L340	L288-L336 HydrophobicContact CD2-CD2 3.72Å; L293-L336 HydrophobicContact CD1-CD2 4.21Å; L303-L336 HydrophobicContact CD2-CD2 4.13Å; L303-L336 HydrophobicContact CG-CD1 4.28Å; L303-L336 HydrophobicContact CG-CD2 4.32Å; L303-L336 HydrophobicContact CG-CG 4.31Å; A307-L336 HydrophobicContact CB-CD1 4.44Å; A307-L336 HydrophobicContact CB-CD2 3.99Å; I310-L336 HydrophobicContact CD1-CB 4.34Å; L332-L336 HydrophobicContact CD1-CB 4.34Å; L332-L336 HydrophobicContact CD2-CB 4.4Å; L332-L336 HydrophobicContact CD2-CD1 3.9Å; Q333-L336 PolarHBondContact O-N 2.94Å; S334-L336 PolarHBondContact O-N 3.37Å; L336-V339 WeakPolarHBondContact O-CB 3.37Å; L336-V339 PolarHBondContact O-N 3.41Å; L336-L340 PolarHBondContact O-N 3.47Å
337	L	97.4	Very high	95.9	Very high	69 Å²	69	47.2 Å²	47.2	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-39.8	179.6	-61.8	176.7	0	0	0	113.3	L332 S334 V339 L340 A341	L332-L337 HydrophobicContact CB-CD2 4.3Å; S334-L337 WeakPolarHBondContact O-CB 3.3Å; S334-L337 PolarHBondContact O-N 3.03Å; L337-V339 VanDerWaalsContact C-N 3.26Å; L337-V339 PolarHBondContact O-N 2.65Å; L337-L340 PolarHBondContact O-N 3.34Å; L337-A341 WeakPolarHBondContact O-CB 3.29Å; L337-A341 PolarHBondContact O-N 2.99Å
338	P	97	Very high	95.6	Very high	61 Å²	61	45.4 Å²	45.4	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-33.7	172.7	-24.9	35.6	0	0	0	113.5	E335 W342	E335-P338 WeakPolarHBondContact O-CD 3.33Å; P338-W342 WeakPolarHBondContact O-CB 3.36Å; P338-W342 PolarHBondContact O-N 3.02Å
339	V	97.5	Very high	95.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-40.5	177.2	-177	0	0	0	0	110.5	L284 Q287 L288 Q291 L293 I310 L336 L337 W342 F343	L284-V339 HydrophobicContact CD2-CG1 4.3Å; Q287-V339 HydrophobicContact CG-CG1 4.13Å; L288-V339 HydrophobicContact CD2-CG1 4.36Å; L288-V339 HydrophobicContact CD2-CG2 3.97Å; Q291-V339 HydrophobicContact CB-CG2 4.38Å; Q291-V339 HydrophobicContact CG-CG2 3.9Å; L293-V339 HydrophobicContact CD1-CG2 3.97Å; I310-V339 HydrophobicContact CD1-CB 4.08Å; I310-V339 HydrophobicContact CD1-CG1 3.94Å; L336-V339 WeakPolarHBondContact O-CB 3.37Å; L336-V339 PolarHBondContact O-N 3.41Å; L337-V339 VanDerWaalsContact C-N 3.26Å; L337-V339 PolarHBondContact O-N 2.65Å; V339-W342 PolarHBondContact O-N 2.61Å; V339-F343 WeakPolarHBondContact O-CB 3.48Å; V339-F343 PolarHBondContact O-N 3.46Å
340	L	97.1	Very high	94.7	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-43.7	174.1	-178.9	62.6	0	0	0	111.4	I310 L313 I325 L328 L332 L336 L337 W342 F343 E344	I310-L340 HydrophobicContact CD1-CB 4.24Å; I310-L340 HydrophobicContact CG1-CD1 4.43Å; I310-L340 HydrophobicContact CG2-CD1 4.32Å; L313-L340 HydrophobicContact CD1-CD1 4.12Å; I325-L340 HydrophobicContact CG1-CD1 4.38Å; I325-L340 HydrophobicContact CG2-CD1 4.32Å; I325-L340 HydrophobicContact CG2-CD2 4.26Å; I325-L340 HydrophobicContact CG2-CG 4.34Å; L328-L340 HydrophobicContact CD2-CD1 4.02Å; L332-L340 HydrophobicContact CD1-CB 4.13Å; L332-L340 HydrophobicContact CD1-CD2 3.85Å; L332-L340 HydrophobicContact CD1-CG 4.45Å; L336-L340 PolarHBondContact O-N 3.47Å; L337-L340 PolarHBondContact O-N 3.34Å; L340-W342 VanDerWaalsContact C-N 3.34Å; L340-W342 PolarHBondContact O-N 2.82Å; L340-F343 HydrophobicContact CD1-CD1 4.34Å; L340-F343 WeakPolarHBondContact O-CB 3.45Å; L340-F343 PolarHBondContact O-N 2.79Å; L340-F343 VanDerWaalsContact O-N 3.14Å; L340-E344 PolarHBondContact O-N 2.88Å
341	A	94.4	Very high	93.9	Very high	44 Å²	44	45.6 Å²	45.6	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-39.3	176.6	0	0	0	0	0	112	L337 F343 N345	L337-A341 WeakPolarHBondContact O-CB 3.29Å; L337-A341 PolarHBondContact O-N 2.99Å; A341-F343 VanDerWaalsContact C-N 3.35Å; A341-N345 PolarHBondContact O-N 3.37Å; A341-N345 VanDerWaalsContact O-N 3.1Å; A341-N345 PolarHBondContact O-ND2 3.04Å
342	W	95.1	Very high	93.2	Very high	58 Å²	58	46.4 Å²	46.4	22%	0.22	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-46.6	170.6	168.1	85.3	0	0	0	111.4	R283 L284 Q287 P338 V339 L340 E344 N345 A346 Y347	R283-W342 HydrophobicContact CB-CH2 4.35Å; L284-W342 HydrophobicContact CD2-CE3 4.18Å; L284-W342 HydrophobicContact CD2-CZ3 3.54Å; L284-W342 HydrophobicContact CG-CZ3 3.99Å; Q287-W342 HydrophobicContact CB-CD2 4.09Å; Q287-W342 HydrophobicContact CB-CE3 3.95Å; Q287-W342 HydrophobicContact CB-CH2 4.17Å; Q287-W342 HydrophobicContact CB-CZ2 4.31Å; Q287-W342 HydrophobicContact CB-CZ3 4.02Å; Q287-W342 VanDerWaalsContact CD-CG 3.42Å; Q287-W342 HydrophobicContact CG-CB 4.18Å; Q287-W342 HydrophobicContact CG-CD2 3.52Å; Q287-W342 HydrophobicContact CG-CE3 3.66Å; Q287-W342 HydrophobicContact CG-CG 3.76Å; Q287-W342 HydrophobicContact CG-CZ3 4.25Å; P338-W342 WeakPolarHBondContact O-CB 3.36Å; P338-W342 PolarHBondContact O-N 3.02Å; V339-W342 PolarHBondContact O-N 2.61Å; L340-W342 VanDerWaalsContact C-N 3.34Å; L340-W342 PolarHBondContact O-N 2.82Å; W342-E344 PolarHBondContact O-N 3.16Å; W342-N345 PolarHBondContact O-N 3.22Å; W342-A346 VanDerWaalsContact O-CB 3.25Å; W342-A346 WeakPolarHBondContact O-CB 3.2Å; W342-A346 PolarHBondContact O-N 3.23Å; W342-Y347 AromaticContact CH2-CE2 3.62Å; W342-Y347 HydrophobicContact CH2-CE2 3.62Å; W342-Y347 HydrophobicContact CZ2-CE2 4.26Å; W342-Y347 AromaticContact CZ3-CE2 3.86Å; W342-Y347 HydrophobicContact CZ3-CE2 3.86Å
343	F	95.1	Very high	92.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-48.1	179.6	168.4	-91.4	0	0	0	111.1	F280 L284 I310 L313 I325 V339 L340 A341 N345 A346 Y347 V348 W367	F280-F343 HydrophobicContact CE2-CD2 4.34Å; F280-F343 AromaticContact CE2-CE2 3.81Å; F280-F343 HydrophobicContact CE2-CE2 3.81Å; F280-F343 HydrophobicContact CZ-CD2 4.15Å; F280-F343 AromaticContact CZ-CE2 3.53Å; F280-F343 HydrophobicContact CZ-CE2 3.53Å; L284-F343 HydrophobicContact CD2-CD2 4.37Å; I310-F343 HydrophobicContact CG2-CB 3.98Å; I310-F343 HydrophobicContact CG2-CD1 4.45Å; I310-F343 HydrophobicContact CG2-CD2 4.35Å; I310-F343 HydrophobicContact CG2-CG 3.97Å; L313-F343 HydrophobicContact CB-CE1 4.19Å; L313-F343 HydrophobicContact CB-CZ 3.99Å; L313-F343 HydrophobicContact CD1-CD1 3.72Å; L313-F343 HydrophobicContact CD1-CE1 3.3Å; L313-F343 HydrophobicContact CD1-CZ 3.92Å; L313-F343 HydrophobicContact CG-CE1 4.36Å; I325-F343 HydrophobicContact CD1-CE1 4.29Å; V339-F343 WeakPolarHBondContact O-CB 3.48Å; V339-F343 PolarHBondContact O-N 3.46Å; L340-F343 HydrophobicContact CD1-CD1 4.34Å; L340-F343 WeakPolarHBondContact O-CB 3.45Å; L340-F343 PolarHBondContact O-N 2.79Å; L340-F343 VanDerWaalsContact O-N 3.14Å; A341-F343 VanDerWaalsContact C-N 3.35Å; F343-N345 PolarHBondContact O-N 2.96Å; F343-A346 PolarHBondContact O-N 3.03Å; F343-Y347 AromaticContact CD2-CD2 3.5Å; F343-Y347 HydrophobicContact CD2-CD2 3.5Å; F343-Y347 HydrophobicContact CD2-CE2 4.23Å; F343-Y347 HydrophobicContact CD2-CG 4.13Å; F343-Y347 AromaticContact CE2-CD2 3.78Å; F343-Y347 HydrophobicContact CE2-CD2 3.78Å; F343-Y347 AromaticContact CE2-CG 3.93Å; F343-Y347 HydrophobicContact CE2-CG 3.93Å; F343-Y347 HydrophobicContact CG-CD2 4.35Å; F343-Y347 WeakPolarHBondContact O-CB 3.22Å; F343-Y347 PolarHBondContact O-N 2.87Å; F343-V348 HydrophobicContact CE1-CG2 4.01Å; F343-V348 HydrophobicContact CZ-CG2 4.48Å; F343-W367 HydrophobicContact CE1-CH2 4.47Å; F343-W367 HydrophobicContact CE2-CH2 4.23Å; F343-W367 HydrophobicContact CE2-CZ3 4.15Å; F343-W367 AromaticContact CZ-CH2 3.5Å; F343-W367 HydrophobicContact CZ-CH2 3.5Å; F343-W367 AromaticContact CZ-CZ2 3.92Å; F343-W367 HydrophobicContact CZ-CZ2 3.92Å; F343-W367 AromaticContact CZ-CZ3 3.8Å; F343-W367 HydrophobicContact CZ-CZ3 3.8Å
344	E	93.6	Very high	91.5	Very high	52 Å²	52	58.4 Å²	58.4	24%	0.243	32%	0.317	C	S	.	.	I	π-helix	trans	-58.4	-48.3	178.3	-175.7	174.7	-167.6	0	0	111.4	I325 L340 W342 A346 V348 G349 R357	I325-E344 HydrophobicContact CD1-CB 4.28Å; I325-E344 HydrophobicContact CD1-CG 4.1Å; L340-E344 PolarHBondContact O-N 2.88Å; W342-E344 PolarHBondContact O-N 3.16Å; E344-A346 PolarHBondContact O-N 3.46Å; E344-V348 HydrophobicContact CG-CB 4.33Å; E344-V348 CarbonylContact O-C 3.59Å; E344-V348 WeakPolarHBondContact O-CA 3.25Å; E344-V348 WeakPolarHBondContact O-CB 3.46Å; E344-V348 PolarHBondContact O-N 3.01Å; E344-G349 PolarHBondContact O-N 2.85Å; E344-R357 IonicContact OE1-CZ 2.61Å; E344-R357 VanDerWaalsContact OE1-CZ 3.31Å; E344-R357 IonicContact OE1-NH1 3.04Å; E344-R357 PolarHBondContact OE1-NH1 2.66Å; E344-R357 IonicContact OE1-NH2 2.91Å; E344-R357 PolarHBondContact OE1-NH2 2.96Å
345	N	90.9	Very high	90.7	Very high	70 Å²	70	56.5 Å²	56.5	37%	0.374	31%	0.311	S	S	.	.	I	π-helix	trans	-63.1	-39.9	177.9	-76	-64.1	0	0	0	112.9	A341 W342 F343 R350	A341-N345 PolarHBondContact O-N 3.37Å; A341-N345 VanDerWaalsContact O-N 3.1Å; A341-N345 PolarHBondContact O-ND2 3.04Å; W342-N345 PolarHBondContact O-N 3.22Å; F343-N345 PolarHBondContact O-N 2.96Å; N345-R350 PolarHBondContact OD1-NE 3.47Å
346	A	91.1	Very high	89.9	Confident	23 Å²	23	54.3 Å²	54.3	19%	0.19	32%	0.316	C	S	.	.	I	π-helix	trans	-82.1	-27.8	-172.7	0	0	0	0	0	114.3	W342 F343 E344 P360	W342-A346 VanDerWaalsContact O-CB 3.25Å; W342-A346 WeakPolarHBondContact O-CB 3.2Å; W342-A346 PolarHBondContact O-N 3.23Å; F343-A346 PolarHBondContact O-N 3.03Å; E344-A346 PolarHBondContact O-N 3.46Å; A346-P360 WeakPolarHBondContact O-CB 3.29Å
347	Y	93.4	Very high	89.3	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.012	33%	0.326	C	S	.	.	I	π-helix	trans	-126.8	-22.3	-167.9	-69.2	-74.2	0	0	0	114.7	F256 F280 R283 W342 F343 F362 W367	F256-Y347 HydrophobicContact CD1-CE1 4.08Å; F256-Y347 AromaticContact CE1-CE1 3.72Å; F256-Y347 HydrophobicContact CE1-CE1 3.72Å; F256-Y347 HydrophobicContact CZ-CE1 4.5Å; F280-Y347 HydrophobicContact CD2-CD1 4.36Å; F280-Y347 AromaticContact CD2-CE1 3.77Å; F280-Y347 HydrophobicContact CD2-CE1 3.77Å; F280-Y347 HydrophobicContact CD2-CE2 4.4Å; F280-Y347 AromaticContact CD2-CZ 3.79Å; F280-Y347 AromaticContact CE2-CD1 3.99Å; F280-Y347 HydrophobicContact CE2-CD1 3.99Å; F280-Y347 HydrophobicContact CE2-CD2 4.14Å; F280-Y347 AromaticContact CE2-CE1 3.8Å; F280-Y347 HydrophobicContact CE2-CE1 3.8Å; F280-Y347 AromaticContact CE2-CE2 3.95Å; F280-Y347 HydrophobicContact CE2-CE2 3.95Å; F280-Y347 HydrophobicContact CE2-CG 4.15Å; F280-Y347 AromaticContact CE2-CZ 3.78Å; R283-Y347 WeakPolarHBondContact CD-OH 3.22Å; W342-Y347 AromaticContact CH2-CE2 3.62Å; W342-Y347 HydrophobicContact CH2-CE2 3.62Å; W342-Y347 HydrophobicContact CZ2-CE2 4.26Å; W342-Y347 AromaticContact CZ3-CE2 3.86Å; W342-Y347 HydrophobicContact CZ3-CE2 3.86Å; F343-Y347 AromaticContact CD2-CD2 3.5Å; F343-Y347 HydrophobicContact CD2-CD2 3.5Å; F343-Y347 HydrophobicContact CD2-CE2 4.23Å; F343-Y347 HydrophobicContact CD2-CG 4.13Å; F343-Y347 AromaticContact CE2-CD2 3.78Å; F343-Y347 HydrophobicContact CE2-CD2 3.78Å; F343-Y347 AromaticContact CE2-CG 3.93Å; F343-Y347 HydrophobicContact CE2-CG 3.93Å; F343-Y347 HydrophobicContact CG-CD2 4.35Å; F343-Y347 WeakPolarHBondContact O-CB 3.22Å; F343-Y347 PolarHBondContact O-N 2.87Å; Y347-F362 HydrophobicContact CD1-CB 4.11Å; Y347-F362 HydrophobicContact CE1-CB 4.15Å; Y347-F362 HydrophobicContact CE1-CD2 4.24Å; Y347-W367 HydrophobicContact CD1-CB 4.27Å; Y347-W367 AromaticContact CD1-CD1 3.64Å; Y347-W367 HydrophobicContact CD1-CD2 4.27Å; Y347-W367 AromaticContact CD1-CG 3.81Å; Y347-W367 HydrophobicContact CD1-CG 3.81Å; Y347-W367 AromaticContact CD1-NE1 3.97Å; Y347-W367 PolarHBondContact O-NE1 3.04Å
348	V	92.4	Very high	88.8	Confident	15 Å²	15	57.2 Å²	57.2	9%	0.091	33%	0.327	C	S	.	.	I	π-helix	trans	-108.3	-30.6	177.7	-174.1	0	0	0	0	111.1	I325 F343 E344 W367	I325-V348 HydrophobicContact CD1-CB 4.43Å; I325-V348 HydrophobicContact CD1-CG1 4.49Å; I325-V348 HydrophobicContact CD1-CG2 3.79Å; F343-V348 HydrophobicContact CE1-CG2 4.01Å; F343-V348 HydrophobicContact CZ-CG2 4.48Å; E344-V348 HydrophobicContact CG-CB 4.33Å; E344-V348 CarbonylContact O-C 3.59Å; E344-V348 WeakPolarHBondContact O-CA 3.25Å; E344-V348 WeakPolarHBondContact O-CB 3.46Å; E344-V348 PolarHBondContact O-N 3.01Å; V348-W367 HydrophobicContact CG2-CZ2 4.35Å
349	G	90.5	Very high	88.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.346	C	S	.	.			trans	95.9	146.6	-178.1	0	0	0	0	0	111.8	E344 R357 D358	E344-G349 PolarHBondContact O-N 2.85Å; G349-R357 WeakPolarHBondContact O-CD 3.42Å; G349-R357 PolarHBondContact O-NH1 3.24Å; G349-D358 WeakPolarHBondContact CA-O 3.29Å
350	R	83.6	Confident	88	Confident	156 Å²	156	60.9 Å²	60.9	59%	0.589	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-70.3	135.7	-179.4	-173.1	-178.2	-67.3	175.7	0.5	110.5	N345 R357 D358	N345-R350 PolarHBondContact OD1-NE 3.47Å; R350-R357 CarbonylContact O-C 3.47Å; R350-R357 WeakPolarHBondContact O-CA 3.39Å; R350-D358 PolarHBondContact O-N 3.16Å
351	A	81.6	Confident	87.5	Confident	65 Å²	65	64.4 Å²	64.4	54%	0.537	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-64.4	133.3	171	0	0	0	0	0	110.9
352	K	82	Confident	87.3	Confident	91 Å²	91	63.3 Å²	63.3	40%	0.396	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-92.4	146.3	176.8	-65.5	176.5	177.1	174.1	0	110.4	S354 G355 G356 D358	K352-S354 PolarHBondContact O-N 2.97Å; K352-G355 PolarHBondContact O-N 2.73Å; K352-G356 PolarHBondContact N-O 3.36Å; K352-D358 WeakPolarHBondContact CE-OD1 3.34Å; K352-D358 IonicContact NZ-OD1 2.74Å; K352-D358 PolarHBondContact NZ-OD1 3.39Å; K352-D358 VanDerWaalsContact NZ-OD1 3.14Å
353	E	78.3	Confident	87.2	Confident	213 Å²	213	62.2 Å²	62.2	100%	0.995	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.9	172.2	-67.4	-177.8	172.9	0	0	112.3	G355	E353-G355 PolarHBondContact O-N 3.14Å
354	S	80	Confident	87.1	Confident	111 Å²	111	63.6 Å²	63.6	78%	0.776	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.5	176.7	61.3	0	0	0	0	114.6	K352	K352-S354 PolarHBondContact O-N 2.97Å
355	G	78.3	Confident	86.9	Confident	46 Å²	46	66.5 Å²	66.5	47%	0.474	39%	0.386	S	S	.	.	S	Bend	trans	84.4	156.6	-165.6	0	0	0	0	0	112.8	K352 E353	K352-G355 PolarHBondContact O-N 2.73Å; E353-G355 PolarHBondContact O-N 3.14Å
356	G	81.2	Confident	87	Confident	56 Å²	56	64 Å²	64	58%	0.577	37%	0.373	S	S	*	.	S	Bend	trans	79.2	-175.5	-173.7	0	0	0	0	0	113.6	K352	K352-G356 PolarHBondContact N-O 3.36Å
357	R	84.2	Confident	87.1	Confident	59 Å²	59	62.9 Å²	62.9	22%	0.223	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-124.8	155	-179.7	-68	-177.7	175	-101.5	0.6	111.7	E322 E344 G349 R350	E322-R357 IonicContact OE1-CZ 3.25Å; E322-R357 IonicContact OE1-NE 3.9Å; E322-R357 PolarHBondContact OE1-NE 2.85Å; E322-R357 IonicContact OE1-NH2 3.37Å; E322-R357 PolarHBondContact OE1-NH2 3.28Å; E344-R357 IonicContact OE1-CZ 2.61Å; E344-R357 VanDerWaalsContact OE1-CZ 3.31Å; E344-R357 IonicContact OE1-NH1 3.04Å; E344-R357 PolarHBondContact OE1-NH1 2.66Å; E344-R357 IonicContact OE1-NH2 2.91Å; E344-R357 PolarHBondContact OE1-NH2 2.96Å; G349-R357 WeakPolarHBondContact O-CD 3.42Å; G349-R357 PolarHBondContact O-NH1 3.24Å; R350-R357 CarbonylContact O-C 3.47Å; R350-R357 WeakPolarHBondContact O-CA 3.39Å
358	D	86.8	Confident	87.1	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	37%	0.367	S	S	.	.			trans	-62.1	149.9	163.7	-78.9	-41	0	0	0	110.9	G349 R350 K352 P360	G349-D358 WeakPolarHBondContact CA-O 3.29Å; R350-D358 PolarHBondContact O-N 3.16Å; K352-D358 WeakPolarHBondContact CE-OD1 3.34Å; K352-D358 IonicContact NZ-OD1 2.74Å; K352-D358 PolarHBondContact NZ-OD1 3.39Å; K352-D358 VanDerWaalsContact NZ-OD1 3.14Å; D358-P360 WeakPolarHBondContact O-CD 3.5Å
359	T	87	Confident	87	Confident	128 Å²	128	62.8 Å²	62.8	79%	0.785	36%	0.364	S	S	*	.			trans	-75.3	112.5	171.1	-53.4	0	0	0	0	108.4
360	P	91.3	Very high	87.1	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.078	37%	0.37	C	S	.	.			trans	-67.4	157.1	175.9	31.3	-37.5	0	0	0	110.4	A346 D358 F362 P363	A346-P360 WeakPolarHBondContact O-CB 3.29Å; D358-P360 WeakPolarHBondContact O-CD 3.5Å; P360-F362 PolarHBondContact O-N 2.8Å; P360-P363 HydrophobicContact CG-CB 4.2Å
361	P	86.7	Confident	87.3	Confident	80 Å²	80	62.1 Å²	62.1	52%	0.519	37%	0.366	S	S	.	.	S	Bend	trans	-55.3	-35.4	175.4	-24.8	33.8	0	0	0	112.8	Q258	Q258-P361 PolarHBondContact OE1-O 3.21Å
362	F	90.7	Very high	87.4	Confident	21 Å²	21	59.5 Å²	59.5	9%	0.092	34%	0.344	C	S	.	.	S	Bend	trans	-122.1	95	176.2	-51.1	-71.1	0	0	0	108.9	F256 M261 Y347 P360 W367	F256-F362 HydrophobicContact CB-CE1 4.16Å; F256-F362 HydrophobicContact CB-CE2 4.32Å; F256-F362 HydrophobicContact CB-CZ 4.01Å; F256-F362 HydrophobicContact CD1-CB 4.01Å; F256-F362 AromaticContact CD1-CD1 3.68Å; F256-F362 HydrophobicContact CD1-CD1 3.68Å; F256-F362 AromaticContact CD1-CD2 3.8Å; F256-F362 HydrophobicContact CD1-CD2 3.8Å; F256-F362 HydrophobicContact CD1-CE1 4.07Å; F256-F362 HydrophobicContact CD1-CE2 4.19Å; F256-F362 AromaticContact CD1-CG 3.54Å; F256-F362 HydrophobicContact CD1-CG 3.54Å; F256-F362 HydrophobicContact CD1-CZ 4.31Å; F256-F362 HydrophobicContact CE1-CB 3.99Å; F256-F362 HydrophobicContact CE1-CD1 4.36Å; F256-F362 HydrophobicContact CE1-CG 4.04Å; F256-F362 WeakPolarHBondContact O-CZ 3.11Å; M261-F362 HydrophobicContact CE-CD1 4.4Å; M261-F362 HydrophobicContact SD-CD1 3.72Å; M261-F362 HydrophobicContact SD-CE1 3.68Å; Y347-F362 HydrophobicContact CD1-CB 4.11Å; Y347-F362 HydrophobicContact CE1-CB 4.15Å; Y347-F362 HydrophobicContact CE1-CD2 4.24Å; P360-F362 PolarHBondContact O-N 2.8Å; F362-W367 PolarHBondContact O-NE1 2.84Å
363	P	92.2	Very high	87.6	Confident	34 Å²	34	55.4 Å²	55.4	22%	0.221	33%	0.327	C	S	.	.			trans	-71.6	160.2	-179.3	26.7	-32.7	0	0	0	113.3	P360 N365 V366 W367	P360-P363 HydrophobicContact CG-CB 4.2Å; P363-N365 VanDerWaalsContact CB-OD1 3.28Å; P363-N365 WeakPolarHBondContact CB-OD1 3.44Å; P363-N365 WeakPolarHBondContact CG-OD1 3.35Å; P363-N365 PolarHBondContact O-N 3.43Å; P363-N365 VanDerWaalsContact O-N 3.11Å; P363-V366 HydrophobicContact CG-CG2 4.03Å; P363-V366 WeakPolarHBondContact O-CA 3.28Å; P363-V366 WeakPolarHBondContact O-CB 3.38Å; P363-V366 PolarHBondContact O-N 3.24Å; P363-W367 VanDerWaalsContact C-CD1 3.4Å; P363-W367 PolarHBondContact O-N 2.87Å
364	P	93.1	Very high	88	Confident	29 Å²	29	47.8 Å²	47.8	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-50	-35.9	-176.6	-31.3	37.4	0	0	0	116	T318 L321 V366 W367 S368	T318-P364 HydrophobicContact CG2-CB 3.71Å; L321-P364 HydrophobicContact CD1-CB 3.87Å; L321-P364 HydrophobicContact CD1-CG 3.91Å; P364-V366 PolarHBondContact O-N 2.94Å; P364-W367 VanDerWaalsContact CA-NE1 3.25Å; P364-W367 HydrophobicContact CB-CZ2 4.17Å; P364-W367 HydrophobicContact CG-CZ2 4.18Å; P364-W367 PolarHBondContact O-N 3.23Å; P364-S368 WeakPolarHBondContact O-CA 3.34Å; P364-S368 WeakPolarHBondContact O-CB 3.25Å; P364-S368 PolarHBondContact O-N 3.05Å
365	N	90.5	Very high	88	Confident	114 Å²	114	46 Å²	46	61%	0.61	28%	0.277	S	S	*	.	H	α-helix	trans	-65.2	-18.1	176	64.5	-46.5	0	0	0	114.1	P363	P363-N365 VanDerWaalsContact CB-OD1 3.28Å; P363-N365 WeakPolarHBondContact CB-OD1 3.44Å; P363-N365 WeakPolarHBondContact CG-OD1 3.35Å; P363-N365 PolarHBondContact O-N 3.43Å; P363-N365 VanDerWaalsContact O-N 3.11Å
366	V	92	Very high	87.7	Confident	16 Å²	16	45 Å²	45	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-89.8	-47.7	175.9	176.2	0	0	0	0	111.1	M261 Y274 G275 P363 P364	M261-V366 HydrophobicContact CE-CG1 3.66Å; M261-V366 HydrophobicContact SD-CG1 4.06Å; Y274-V366 CarbonylContact C-O 3.56Å; Y274-V366 WeakPolarHBondContact CA-O 3.33Å; G275-V366 PolarHBondContact N-O 3.32Å; P363-V366 HydrophobicContact CG-CG2 4.03Å; P363-V366 WeakPolarHBondContact O-CA 3.28Å; P363-V366 WeakPolarHBondContact O-CB 3.38Å; P363-V366 PolarHBondContact O-N 3.24Å; P364-V366 PolarHBondContact O-N 2.94Å
367	W	92.7	Very high	87.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-98.6	-21.6	-169.8	66.3	-97.5	0	0	0	115	F256 F280 A314 L321 F343 Y347 V348 F362 P363 P364	F256-W367 HydrophobicContact CE1-CB 3.63Å; F256-W367 HydrophobicContact CZ-CB 3.6Å; F280-W367 HydrophobicContact CD2-CB 4.39Å; F280-W367 HydrophobicContact CE2-CD2 4.34Å; F280-W367 AromaticContact CE2-CE3 3.93Å; F280-W367 HydrophobicContact CE2-CE3 3.93Å; F280-W367 AromaticContact CZ-CE3 3.92Å; F280-W367 HydrophobicContact CZ-CE3 3.92Å; F280-W367 HydrophobicContact CZ-CZ3 4.24Å; A314-W367 VanDerWaalsContact CA-CZ3 3.46Å; A314-W367 HydrophobicContact CB-CE3 3.88Å; A314-W367 HydrophobicContact CB-CZ3 3.79Å; L321-W367 HydrophobicContact CD1-CH2 3.98Å; L321-W367 HydrophobicContact CD1-CZ2 3.82Å; L321-W367 HydrophobicContact CD2-CH2 3.74Å; L321-W367 HydrophobicContact CD2-CZ2 4.38Å; F343-W367 HydrophobicContact CE1-CH2 4.47Å; F343-W367 HydrophobicContact CE2-CH2 4.23Å; F343-W367 HydrophobicContact CE2-CZ3 4.15Å; F343-W367 AromaticContact CZ-CH2 3.5Å; F343-W367 HydrophobicContact CZ-CH2 3.5Å; F343-W367 AromaticContact CZ-CZ2 3.92Å; F343-W367 HydrophobicContact CZ-CZ2 3.92Å; F343-W367 AromaticContact CZ-CZ3 3.8Å; F343-W367 HydrophobicContact CZ-CZ3 3.8Å; Y347-W367 HydrophobicContact CD1-CB 4.27Å; Y347-W367 AromaticContact CD1-CD1 3.64Å; Y347-W367 HydrophobicContact CD1-CD2 4.27Å; Y347-W367 AromaticContact CD1-CG 3.81Å; Y347-W367 HydrophobicContact CD1-CG 3.81Å; Y347-W367 AromaticContact CD1-NE1 3.97Å; Y347-W367 PolarHBondContact O-NE1 3.04Å; V348-W367 HydrophobicContact CG2-CZ2 4.35Å; F362-W367 PolarHBondContact O-NE1 2.84Å; P363-W367 VanDerWaalsContact C-CD1 3.4Å; P363-W367 PolarHBondContact O-N 2.87Å; P364-W367 VanDerWaalsContact CA-NE1 3.25Å; P364-W367 HydrophobicContact CB-CZ2 4.17Å; P364-W367 HydrophobicContact CG-CZ2 4.18Å; P364-W367 PolarHBondContact O-N 3.23Å
368	S	93.3	Very high	86.3	Confident	12 Å²	12	45.2 Å²	45.2	8%	0.084	25%	0.252	C	S	.	.			trans	-67.3	138	174.9	-176.9	0	0	0	0	109.5	A314 P364 Y370	A314-S368 PolarHBondContact O-OG 3.21Å; P364-S368 WeakPolarHBondContact O-CA 3.34Å; P364-S368 WeakPolarHBondContact O-CB 3.25Å; P364-S368 PolarHBondContact O-N 3.05Å; S368-Y370 PolarHBondContact OG-N 2.8Å
369	I	91	Very high	85.2	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.256	C	S	.	.			trans	-113.8	6.3	177.7	60.6	169.8	0	0	0	112.8	F277 A314 F315 E371 S372 M373	F277-I369 HydrophobicContact CB-CD1 3.94Å; F277-I369 HydrophobicContact CB-CG2 4.14Å; F277-I369 HydrophobicContact CD1-CD1 4.27Å; F277-I369 HydrophobicContact CD2-CD1 3.55Å; F277-I369 HydrophobicContact CD2-CG1 4.33Å; F277-I369 HydrophobicContact CE2-CD1 4.15Å; F277-I369 HydrophobicContact CG-CD1 3.64Å; A314-I369 HydrophobicContact CB-CG1 4.02Å; A314-I369 CarbonylContact O-C 3.46Å; A314-I369 VanDerWaalsContact O-CG1 3.24Å; A314-I369 WeakPolarHBondContact O-CG1 3.32Å; A314-I369 PolarHBondContact O-N 2.66Å; F315-I369 HydrophobicContact CD1-CD1 3.69Å; F315-I369 HydrophobicContact CD1-CG1 3.98Å; F315-I369 HydrophobicContact CD2-CD1 4.06Å; F315-I369 HydrophobicContact CD2-CG1 4.32Å; F315-I369 HydrophobicContact CE1-CD1 3.21Å; F315-I369 HydrophobicContact CE1-CG1 4.03Å; F315-I369 HydrophobicContact CE2-CD1 3.67Å; F315-I369 HydrophobicContact CE2-CG1 4.41Å; F315-I369 HydrophobicContact CG-CD1 4.11Å; F315-I369 HydrophobicContact CG-CG1 4.16Å; F315-I369 HydrophobicContact CZ-CD1 3.23Å; F315-I369 HydrophobicContact CZ-CG1 4.27Å; I369-E371 PolarHBondContact O-N 2.97Å; I369-S372 WeakPolarHBondContact CA-OG 3.42Å; I369-S372 WeakPolarHBondContact CB-OG 3.31Å; I369-S372 PolarHBondContact O-N 3.21Å; I369-S372 PolarHBondContact O-OG 3.04Å; I369-S372 VanDerWaalsContact O-OG 3.05Å; I369-M373 WeakPolarHBondContact O-CB 3.39Å; I369-M373 PolarHBondContact O-N 3.03Å
370	Y	92.3	Very high	84	Confident	29 Å²	29	42 Å²	42	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-54.3	-54.5	177.9	-179.9	-95.1	0	0	0	111.6	A314 F315 M316 P317 S368 M373 L374 V447 Y450	A314-Y370 PolarHBondContact O-N 3.27Å; A314-Y370 VanDerWaalsContact O-N 3.1Å; F315-Y370 WeakPolarHBondContact O-CD2 3.5Å; M316-Y370 VanDerWaalsContact C-CD2 3.43Å; M316-Y370 WeakPolarHBondContact O-CB 3.14Å; P317-Y370 HydrophobicContact CB-CD1 4.46Å; P317-Y370 HydrophobicContact CB-CE1 4.23Å; P317-Y370 HydrophobicContact CG-CD1 4.41Å; P317-Y370 HydrophobicContact CG-CD2 4.3Å; P317-Y370 HydrophobicContact CG-CE1 3.91Å; P317-Y370 HydrophobicContact CG-CE2 3.76Å; S368-Y370 PolarHBondContact OG-N 2.8Å; Y370-M373 PolarHBondContact O-N 3.13Å; Y370-L374 HydrophobicContact CD1-CD1 4.16Å; Y370-L374 HydrophobicContact CE1-CD1 3.58Å; Y370-L374 PolarHBondContact O-N 3.22Å; Y370-L374 VanDerWaalsContact O-N 3.17Å; Y370-V447 HydrophobicContact CD2-CG1 3.57Å; Y370-V447 HydrophobicContact CD2-CG2 4.46Å; Y370-V447 HydrophobicContact CE2-CB 4.46Å; Y370-V447 HydrophobicContact CE2-CG1 3.54Å; Y370-V447 HydrophobicContact CG-CG1 4.27Å; Y370-Y450 HydrophobicContact CE2-CG 4.47Å
371	E	87.7	Confident	82.7	Confident	112 Å²	112	42.9 Å²	42.9	52%	0.523	23%	0.225	S	C	.	.	H	α-helix	trans	-70	-38	179.5	-67.8	-59.1	156.5	0	0	112.9	I369 M373 L374 T375	I369-E371 PolarHBondContact O-N 2.97Å; E371-M373 PolarHBondContact O-N 2.9Å; E371-L374 PolarHBondContact O-N 2.95Å; E371-T375 WeakPolarHBondContact O-CB 3.3Å; E371-T375 WeakPolarHBondContact O-CG2 3.19Å; E371-T375 PolarHBondContact O-N 3.38Å; E371-T375 PolarHBondContact O-OG1 2.83Å
372	S	84.5	Confident	81.8	Confident	10 Å²	10	41 Å²	41	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-28.5	178.3	64.1	0	0	0	0	111.9	I369 T375 G376 R377	I369-S372 WeakPolarHBondContact CA-OG 3.42Å; I369-S372 WeakPolarHBondContact CB-OG 3.31Å; I369-S372 PolarHBondContact O-N 3.21Å; I369-S372 PolarHBondContact O-OG 3.04Å; I369-S372 VanDerWaalsContact O-OG 3.05Å; S372-T375 WeakPolarHBondContact CA-OG1 2.93Å; S372-T375 PolarHBondContact O-OG1 3.3Å; S372-G376 PolarHBondContact O-N 2.99Å; S372-G376 VanDerWaalsContact O-N 3.12Å; S372-R377 PolarHBondContact O-N 2.8Å
373	M	86.4	Confident	80.8	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-47.4	173.3	-163.4	65.4	173.5	0	0	111.4	I369 Y370 E371 T375 G376 D378 R440 L443 Y444 V447	I369-M373 WeakPolarHBondContact O-CB 3.39Å; I369-M373 PolarHBondContact O-N 3.03Å; Y370-M373 PolarHBondContact O-N 3.13Å; E371-M373 PolarHBondContact O-N 2.9Å; M373-T375 VanDerWaalsContact C-N 3.28Å; M373-T375 PolarHBondContact O-N 2.79Å; M373-G376 PolarHBondContact O-N 3.48Å; M373-G376 VanDerWaalsContact O-N 3.11Å; M373-D378 HydrophobicContact SD-CB 4.11Å; M373-R440 HydrophobicContact CE-CB 4.43Å; M373-R440 HydrophobicContact CE-CG 3.69Å; M373-R440 WeakPolarHBondContact CE-O 3.44Å; M373-L443 HydrophobicContact CE-CB 3.45Å; M373-L443 VanDerWaalsContact CE-CB 3.45Å; M373-Y444 HydrophobicContact CG-CD2 4.48Å; M373-Y444 VanDerWaalsContact O-CD2 3.3Å; M373-Y444 WeakPolarHBondContact O-CD2 3.47Å; M373-V447 HydrophobicContact CB-CG1 4.39Å; M373-V447 HydrophobicContact CB-CG2 4.44Å; M373-V447 HydrophobicContact CG-CB 4.48Å; M373-V447 HydrophobicContact CG-CG2 4.24Å
374	L	86.2	Confident	79.8	Confident	53 Å²	53	40.4 Å²	40.4	28%	0.277	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-36.7	176.9	-71.6	175.9	0	0	0	112.5	Y370 E371 G376 Y444 V447 E448	Y370-L374 HydrophobicContact CD1-CD1 4.16Å; Y370-L374 HydrophobicContact CE1-CD1 3.58Å; Y370-L374 PolarHBondContact O-N 3.22Å; Y370-L374 VanDerWaalsContact O-N 3.17Å; E371-L374 PolarHBondContact O-N 2.95Å; L374-G376 VanDerWaalsContact C-N 3.33Å; L374-Y444 HydrophobicContact CD2-CE2 4.5Å; L374-V447 HydrophobicContact CD1-CG1 4.26Å; L374-V447 HydrophobicContact CD2-CG1 3.7Å; L374-V447 HydrophobicContact CG-CG1 3.63Å; L374-E448 HydrophobicContact CD2-CB 4.33Å
375	T	80.2	Confident	78.8	Confident	74 Å²	74	42.3 Å²	42.3	45%	0.454	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.3	178	56.6	0	0	0	0	113.9	E371 S372 M373 R377	E371-T375 WeakPolarHBondContact O-CB 3.3Å; E371-T375 WeakPolarHBondContact O-CG2 3.19Å; E371-T375 PolarHBondContact O-N 3.38Å; E371-T375 PolarHBondContact O-OG1 2.83Å; S372-T375 WeakPolarHBondContact CA-OG1 2.93Å; S372-T375 PolarHBondContact O-OG1 3.3Å; M373-T375 VanDerWaalsContact C-N 3.28Å; M373-T375 PolarHBondContact O-N 2.79Å; T375-R377 PolarHBondContact O-N 3.38Å; T375-R377 WeakPolarHBondContact OG1-CD 3.27Å
376	G	72.6	Confident	78	Confident	25 Å²	25	38.8 Å²	38.8	26%	0.258	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	16.1	175.6	0	0	0	0	0	115.8	S372 M373 L374 R379	S372-G376 PolarHBondContact O-N 2.99Å; S372-G376 VanDerWaalsContact O-N 3.12Å; M373-G376 PolarHBondContact O-N 3.48Å; M373-G376 VanDerWaalsContact O-N 3.11Å; L374-G376 VanDerWaalsContact C-N 3.33Å; G376-R379 WeakPolarHBondContact O-CG 3.24Å
377	R	68.5	Low	77	Confident	87 Å²	87	38.5 Å²	38.5	33%	0.328	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-79.3	-19.6	-175.2	-65.2	176.5	-174.9	163.4	1.6	114.3	Y274 S372 T375 R379	Y274-R377 PolarHBondContact OH-NH1 2.93Å; Y274-R377 VanDerWaalsContact OH-NH1 3.08Å; S372-R377 PolarHBondContact O-N 2.8Å; T375-R377 PolarHBondContact O-N 3.38Å; T375-R377 WeakPolarHBondContact OG1-CD 3.27Å; R377-R379 PolarHBondContact O-N 3.39Å
378	D	66.2	Low	76.1	Confident	32 Å²	32	39.3 Å²	39.3	17%	0.171	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.5	-7.2	-179.7	-175.1	47.2	0	0	0	114.5	M373 M380 N381	M373-D378 HydrophobicContact SD-CB 4.11Å; D378-M380 PolarHBondContact O-N 2.91Å; D378-N381 PolarHBondContact O-N 3.48Å; D378-N381 PolarHBondContact OD1-ND2 2.94Å
379	R	63.3	Low	75.2	Confident	123 Å²	123	42.3 Å²	42.3	46%	0.464	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-55.7	-26.2	-178.3	-69.3	178.3	-169.7	-154.9	-0.9	113.9	G376 R377 N381 F383 Q432 R440	G376-R379 WeakPolarHBondContact O-CG 3.24Å; R377-R379 PolarHBondContact O-N 3.39Å; R379-N381 PolarHBondContact O-N 3.33Å; R379-F383 VanDerWaalsContact O-CD2 3.27Å; R379-F383 WeakPolarHBondContact O-CD2 3.47Å; R379-Q432 PolarHBondContact O-NE2 2.98Å; R379-R440 VanDerWaalsContact NE-NH1 3.11Å
380	M	62.6	Low	74.4	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-74.2	-25.3	-169.5	-56.4	-176.6	69.5	0	0	114.1	H189 V191 E212 V217 D378 N382 F383 V384	H189-M380 HydrophobicContact CB-SD 3.99Å; V191-M380 HydrophobicContact CB-CE 4.09Å; V191-M380 HydrophobicContact CG2-CB 3.56Å; V191-M380 HydrophobicContact CG2-CE 3.45Å; V191-M380 VanDerWaalsContact CG2-CE 3.45Å; V191-M380 HydrophobicContact CG2-CG 4.32Å; V191-M380 HydrophobicContact CG2-SD 3.86Å; E212-M380 HydrophobicContact CB-CE 3.86Å; E212-M380 HydrophobicContact CB-CG 4.47Å; E212-M380 HydrophobicContact CB-SD 4.04Å; V217-M380 HydrophobicContact CG1-CE 4.27Å; V217-M380 HydrophobicContact CG2-CB 4.47Å; V217-M380 HydrophobicContact CG2-CE 4.44Å; V217-M380 HydrophobicContact CG2-CG 4.19Å; D378-M380 PolarHBondContact O-N 2.91Å; M380-N382 VanDerWaalsContact C-N 3.33Å; M380-N382 PolarHBondContact O-N 2.78Å; M380-F383 WeakPolarHBondContact O-CB 3.33Å; M380-F383 PolarHBondContact O-N 2.86Å; M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.29Å; M380-V384 VanDerWaalsContact O-N 3.15Å
381	N	65	Low	73.5	Confident	30 Å²	30	45 Å²	45	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-42.1	-175	-79.3	-27	0	0	0	113	C276 D378 R379 F383 V384 E385	C276-N381 PolarHBondContact SG-OD1 2.89Å; D378-N381 PolarHBondContact O-N 3.48Å; D378-N381 PolarHBondContact OD1-ND2 2.94Å; R379-N381 PolarHBondContact O-N 3.33Å; N381-F383 VanDerWaalsContact C-N 3.31Å; N381-F383 PolarHBondContact O-N 3.36Å; N381-V384 PolarHBondContact O-N 3.45Å; N381-E385 PolarHBondContact O-N 2.97Å
382	N	67.1	Low	72.8	Confident	39 Å²	39	45 Å²	45	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-32.2	179.2	-69.6	-27.6	0	0	0	112.9	M380 A386 Q432 Y436	M380-N382 VanDerWaalsContact C-N 3.33Å; M380-N382 PolarHBondContact O-N 2.78Å; N382-A386 WeakPolarHBondContact O-CB 3.26Å; N382-A386 PolarHBondContact O-N 2.82Å; N382-A386 VanDerWaalsContact O-N 3.08Å; N382-Q432 PolarHBondContact ND2-OE1 2.79Å; N382-Y436 WeakPolarHBondContact ND2-CB 3.45Å
383	F	69.5	Low	72.1	Confident	31 Å²	31	55.1 Å²	55.1	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-70.9	-38	177.9	-72.3	-82.3	0	0	0	111.7	G215 V217 R379 M380 N381 E385 A386 T387 P430 Q432	G215-F383 WeakPolarHBondContact O-CZ 3.35Å; V217-F383 HydrophobicContact CB-CB 3.47Å; V217-F383 VanDerWaalsContact CB-CB 3.47Å; V217-F383 HydrophobicContact CB-CD1 3.89Å; V217-F383 HydrophobicContact CB-CD2 3.99Å; V217-F383 HydrophobicContact CB-CG 3.54Å; V217-F383 HydrophobicContact CG1-CB 3.69Å; V217-F383 HydrophobicContact CG1-CG 4.32Å; V217-F383 HydrophobicContact CG2-CB 3.76Å; V217-F383 HydrophobicContact CG2-CD1 4.18Å; V217-F383 HydrophobicContact CG2-CD2 3.41Å; V217-F383 VanDerWaalsContact CG2-CD2 3.41Å; V217-F383 HydrophobicContact CG2-CE2 3.95Å; V217-F383 HydrophobicContact CG2-CG 3.53Å; R379-F383 VanDerWaalsContact O-CD2 3.27Å; R379-F383 WeakPolarHBondContact O-CD2 3.47Å; M380-F383 WeakPolarHBondContact O-CB 3.33Å; M380-F383 PolarHBondContact O-N 2.86Å; N381-F383 VanDerWaalsContact C-N 3.31Å; N381-F383 PolarHBondContact O-N 3.36Å; F383-E385 VanDerWaalsContact C-N 3.34Å; F383-E385 PolarHBondContact O-N 2.7Å; F383-A386 PolarHBondContact O-N 2.96Å; F383-T387 WeakPolarHBondContact O-CB 3.49Å; F383-T387 PolarHBondContact O-N 3.48Å; F383-T387 PolarHBondContact O-OG1 3.4Å; F383-T387 VanDerWaalsContact O-OG1 3.04Å; F383-P430 HydrophobicContact CE1-CG 4.38Å; F383-Q432 VanDerWaalsContact CE2-NE2 3.31Å
384	V	70.3	Confident	71.1	Confident	13 Å²	13	57.8 Å²	57.8	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-48.5	175.6	175.3	0	0	0	0	110.5	V191 D193 M210 M380 N381 A386 T387 H388	V191-V384 HydrophobicContact CB-CG2 3.82Å; V191-V384 HydrophobicContact CG1-CG2 3.39Å; V191-V384 HydrophobicContact CG2-CG2 3.95Å; D193-V384 HydrophobicContact CB-CG1 4.33Å; M210-V384 HydrophobicContact CE-CB 4.22Å; M210-V384 HydrophobicContact CE-CG1 4Å; M210-V384 HydrophobicContact CE-CG2 3.75Å; M210-V384 HydrophobicContact SD-CG2 4.19Å; M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.29Å; M380-V384 VanDerWaalsContact O-N 3.15Å; N381-V384 PolarHBondContact O-N 3.45Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 2.81Å; V384-T387 PolarHBondContact O-N 3.08Å; V384-H388 VanDerWaalsContact CG1-CE1 3.46Å; V384-H388 WeakPolarHBondContact CG1-CE1 3.41Å; V384-H388 PolarHBondContact O-N 3.2Å; V384-H388 PolarHBondContact O-ND1 3.3Å
385	E	73.6	Confident	70.1	Confident	69 Å²	69	55.6 Å²	55.6	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-36.9	178.1	-158.1	-146.9	147.4	0	0	112.2	N381 F383 R389	N381-E385 PolarHBondContact O-N 2.97Å; F383-E385 VanDerWaalsContact C-N 3.34Å; F383-E385 PolarHBondContact O-N 2.7Å; E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.28Å; E385-R389 PolarHBondContact O-N 3.31Å; E385-R389 PolarHBondContact O-NE 2.92Å; E385-R389 VanDerWaalsContact O-NE 3.17Å; E385-R389 IonicContact OE1-CZ 2.79Å; E385-R389 IonicContact OE1-NE 3.46Å; E385-R389 IonicContact OE1-NH2 2.84Å; E385-R389 IonicContact OE2-NH2 3.8Å
386	A	73.2	Confident	68.8	Low	40 Å²	40	55.2 Å²	55.2	33%	0.331	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-43.5	174.7	0	0	0	0	0	111.8	N382 F383 V384 R389 R390	N382-A386 WeakPolarHBondContact O-CB 3.26Å; N382-A386 PolarHBondContact O-N 2.82Å; N382-A386 VanDerWaalsContact O-N 3.08Å; F383-A386 PolarHBondContact O-N 2.96Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 2.81Å; A386-R389 PolarHBondContact O-N 3.44Å; A386-R390 WeakPolarHBondContact O-CB 3.44Å; A386-R390 PolarHBondContact O-N 3.45Å
387	T	70.8	Confident	68	Low	9 Å²	9	56.1 Å²	56.1	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-48.1	175.7	-63.3	0	0	0	0	110.7	M210 P219 F383 V384 R389 R390 M391	M210-T387 HydrophobicContact SD-CG2 3.89Å; P219-T387 HydrophobicContact CB-CG2 4.19Å; P219-T387 HydrophobicContact CG-CG2 4.25Å; F383-T387 WeakPolarHBondContact O-CB 3.49Å; F383-T387 PolarHBondContact O-N 3.48Å; F383-T387 PolarHBondContact O-OG1 3.4Å; F383-T387 VanDerWaalsContact O-OG1 3.04Å; V384-T387 PolarHBondContact O-N 3.08Å; T387-R389 VanDerWaalsContact C-N 3.32Å; T387-R389 PolarHBondContact O-N 3.29Å; T387-R390 WeakPolarHBondContact O-CB 3.41Å; T387-R390 PolarHBondContact O-N 2.74Å; T387-R390 VanDerWaalsContact O-N 3.1Å; T387-M391 HydrophobicContact CG2-CE 3.83Å; T387-M391 HydrophobicContact CG2-CG 4.44Å; T387-M391 HydrophobicContact CG2-SD 4.24Å; T387-M391 VanDerWaalsContact O-CG 3.29Å; T387-M391 WeakPolarHBondContact O-CG 3.41Å; T387-M391 PolarHBondContact O-N 3.23Å
388	H	73.4	Confident	68.2	Low	18 Å²	18	57.6 Å²	57.6	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-38.9	175.3	-69.8	146.1	0	0	0	113.2	D193 V384 M391 R392	D193-H388 IonicContact OD2-CE1 3.62Å; D193-H388 PolarHBondContact OD2-CE1 2.81Å; D193-H388 IonicContact OD2-ND1 3.7Å; D193-H388 IonicContact OD2-NE2 3.15Å; D193-H388 PolarHBondContact OD2-NE2 3.01Å; V384-H388 VanDerWaalsContact CG1-CE1 3.46Å; V384-H388 WeakPolarHBondContact CG1-CE1 3.41Å; V384-H388 PolarHBondContact O-N 3.2Å; V384-H388 PolarHBondContact O-ND1 3.3Å; H388-M391 PolarHBondContact O-N 2.67Å; H388-R392 WeakPolarHBondContact O-CB 3.4Å; H388-R392 WeakPolarHBondContact O-CG 3.24Å; H388-R392 PolarHBondContact O-N 2.91Å
389	R	75.8	Confident	68.5	Low	75 Å²	75	59.2 Å²	59.2	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-42.4	173.3	-77.3	179.8	-68.6	175	-9	111.8	E385 A386 T387 R392 R393	E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.28Å; E385-R389 PolarHBondContact O-N 3.31Å; E385-R389 PolarHBondContact O-NE 2.92Å; E385-R389 VanDerWaalsContact O-NE 3.17Å; E385-R389 IonicContact OE1-CZ 2.79Å; E385-R389 IonicContact OE1-NE 3.46Å; E385-R389 IonicContact OE1-NH2 2.84Å; E385-R389 IonicContact OE2-NH2 3.8Å; A386-R389 PolarHBondContact O-N 3.44Å; T387-R389 VanDerWaalsContact C-N 3.32Å; T387-R389 PolarHBondContact O-N 3.29Å; R389-R392 VanDerWaalsContact CG-NH2 3.29Å; R389-R392 PolarHBondContact O-N 3.34Å; R389-R393 WeakPolarHBondContact O-CB 3.18Å; R389-R393 PolarHBondContact O-N 2.84Å
390	R	73.5	Confident	69	Low	89 Å²	89	53.5 Å²	53.5	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-47	175.8	-173.1	-176.2	-70.3	177.1	-1	110.7	A386 T387 R393 I394 E419	A386-R390 WeakPolarHBondContact O-CB 3.44Å; A386-R390 PolarHBondContact O-N 3.45Å; T387-R390 WeakPolarHBondContact O-CB 3.41Å; T387-R390 PolarHBondContact O-N 2.74Å; T387-R390 VanDerWaalsContact O-N 3.1Å; R390-R393 PolarHBondContact O-N 3.46Å; R390-I394 HydrophobicContact CG-CD1 3.91Å; R390-I394 WeakPolarHBondContact O-CG1 3.34Å; R390-I394 PolarHBondContact O-N 3.39Å; R390-E419 IonicContact CZ-OE1 3.3Å; R390-E419 IonicContact CZ-OE2 3.97Å; R390-E419 IonicContact NH1-OE1 3.46Å; R390-E419 PolarHBondContact NH1-OE1 2.6Å; R390-E419 IonicContact NH1-OE2 3.14Å; R390-E419 PolarHBondContact NH1-OE2 3.47Å; R390-E419 IonicContact NH2-OE1 3.91Å; R390-E419 PolarHBondContact NH2-OE1 3.03Å; R390-E419 IonicContact NH2-OE2 3.62Å
391	M	73	Confident	69.8	Low	2 Å²	2	55 Å²	55	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-54.5	175.1	-70.4	178.9	164.8	0	0	111.4	I198 V208 Y222 T387 H388 R393 I394 F395 I412	I198-M391 HydrophobicContact CD1-CB 4.27Å; I198-M391 HydrophobicContact CD1-SD 4.08Å; V208-M391 HydrophobicContact CB-CE 4.3Å; V208-M391 HydrophobicContact CG1-CE 3.7Å; V208-M391 HydrophobicContact CG2-CE 3.65Å; V208-M391 HydrophobicContact CG2-SD 4Å; Y222-M391 HydrophobicContact CD1-CE 3.94Å; Y222-M391 HydrophobicContact CE1-CE 3.56Å; T387-M391 HydrophobicContact CG2-CE 3.83Å; T387-M391 HydrophobicContact CG2-CG 4.44Å; T387-M391 HydrophobicContact CG2-SD 4.24Å; T387-M391 VanDerWaalsContact O-CG 3.29Å; T387-M391 WeakPolarHBondContact O-CG 3.41Å; T387-M391 PolarHBondContact O-N 3.23Å; H388-M391 PolarHBondContact O-N 2.67Å; M391-R393 PolarHBondContact O-N 3.02Å; M391-I394 PolarHBondContact O-N 3.45Å; M391-F395 HydrophobicContact CB-CD2 4.33Å; M391-F395 HydrophobicContact CB-CE2 4.18Å; M391-F395 WeakPolarHBondContact O-CD2 3.35Å; M391-F395 PolarHBondContact O-N 3.27Å; M391-I412 HydrophobicContact CB-CD1 4.26Å; M391-I412 HydrophobicContact CE-CD1 4.19Å; M391-I412 HydrophobicContact CE-CG2 4.24Å; M391-I412 HydrophobicContact CG-CD1 3.58Å; M391-I412 HydrophobicContact CG-CG1 4.32Å
392	R	72.5	Confident	70.7	Confident	111 Å²	111	53.6 Å²	53.6	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-54.3	-40.6	178.3	-73.5	-169.9	-63.9	-114.3	9.5	112.2	H388 R389 G396	H388-R392 WeakPolarHBondContact O-CB 3.4Å; H388-R392 WeakPolarHBondContact O-CG 3.24Å; H388-R392 PolarHBondContact O-N 2.91Å; R389-R392 VanDerWaalsContact CG-NH2 3.29Å; R389-R392 PolarHBondContact O-N 3.34Å; R392-G396 PolarHBondContact O-N 3.35Å
393	R	70.5	Confident	71.4	Confident	223 Å²	223	52.2 Å²	52.2	84%	0.842	27%	0.268	S	S	*	.	H	α-helix	trans	-67.5	-41.7	176.7	-179.7	179.5	-91.1	173.3	-7.7	112.5	R389 R390 M391	R389-R393 WeakPolarHBondContact O-CB 3.18Å; R389-R393 PolarHBondContact O-N 2.84Å; R390-R393 PolarHBondContact O-N 3.46Å; M391-R393 PolarHBondContact O-N 3.02Å
394	I	65.4	Low	71.8	Confident	60 Å²	60	57.5 Å²	57.5	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-41.9	-179.6	-74.2	169.4	0	0	0	111.5	R390 M391 K411 I412	R390-I394 HydrophobicContact CG-CD1 3.91Å; R390-I394 WeakPolarHBondContact O-CG1 3.34Å; R390-I394 PolarHBondContact O-N 3.39Å; M391-I394 PolarHBondContact O-N 3.45Å; I394-K411 HydrophobicContact CG2-CB 4.32Å; I394-K411 HydrophobicContact CG2-CD 4.44Å; I394-I412 HydrophobicContact CD1-CB 4.45Å; I394-I412 HydrophobicContact CD1-CD1 4.48Å; I394-I412 HydrophobicContact CD1-CG1 3.44Å; I394-I412 VanDerWaalsContact CD1-CG1 3.44Å; I394-I412 HydrophobicContact CG2-CG1 4.41Å
395	F	64.4	Low	72.6	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-73.2	-37.6	178.9	-67.9	-65.3	0	0	0	112.3	I198 M391 C397 P400 R404 F405 I409 I412	I198-F395 HydrophobicContact CB-CD2 3.84Å; I198-F395 HydrophobicContact CB-CE2 4.09Å; I198-F395 HydrophobicContact CB-CG 4.41Å; I198-F395 HydrophobicContact CD1-CD2 4.03Å; I198-F395 HydrophobicContact CD1-CE2 3.53Å; I198-F395 HydrophobicContact CD1-CZ 4.35Å; I198-F395 HydrophobicContact CG1-CE2 4.42Å; I198-F395 HydrophobicContact CG2-CB 4.38Å; I198-F395 HydrophobicContact CG2-CD2 3.57Å; I198-F395 HydrophobicContact CG2-CE2 4.24Å; I198-F395 HydrophobicContact CG2-CG 4.19Å; M391-F395 HydrophobicContact CB-CD2 4.33Å; M391-F395 HydrophobicContact CB-CE2 4.18Å; M391-F395 WeakPolarHBondContact O-CD2 3.35Å; M391-F395 PolarHBondContact O-N 3.27Å; F395-C397 PolarHBondContact O-N 2.86Å; F395-C397 PolarHBondContact O-SG 3.06Å; F395-P400 HydrophobicContact CD1-CB 4.31Å; F395-P400 HydrophobicContact CD1-CG 3.99Å; F395-P400 HydrophobicContact CE1-CG 4.44Å; F395-P400 HydrophobicContact CG-CG 4.48Å; F395-R404 PolarHBondContact O-NH2 3.36Å; F395-F405 HydrophobicContact CE1-CD2 4.09Å; F395-F405 AromaticContact CZ-CD2 3.93Å; F395-F405 HydrophobicContact CZ-CD2 3.93Å; F395-F405 HydrophobicContact CZ-CE2 4.2Å; F395-I409 HydrophobicContact CZ-CG2 4.03Å; F395-I412 HydrophobicContact CE2-CD1 3.83Å; F395-I412 HydrophobicContact CZ-CD1 4.01Å
396	G	52.8	Low	73.3	Confident	67 Å²	67	53.6 Å²	53.6	69%	0.691	27%	0.268	S	S	*	.			trans	63.1	6.5	176.6	0	0	0	0	0	114.9	R392	R392-G396 PolarHBondContact O-N 3.35Å
397	C	56.3	Low	73.9	Confident	44 Å²	44	55.2 Å²	55.2	30%	0.297	27%	0.268	S	S	.	.	S	Bend	trans	-151.5	159.8	178.7	57.1	0	0	0	0	109.4	F395	F395-C397 PolarHBondContact O-N 2.86Å; F395-C397 PolarHBondContact O-SG 3.06Å
398	N	72.5	Confident	74.6	Confident	118 Å²	118	55 Å²	55	63%	0.631	27%	0.268	S	S	*	.	S	Bend	trans	-83.9	148.7	165.8	-61.1	-29.5	0	0	0	108.7	R197	R197-N398 CarbonylContact O-C 3.6Å; R197-N398 VanDerWaalsContact O-CA 3.32Å; R197-N398 WeakPolarHBondContact O-CA 3.21Å
399	S	72.6	Confident	75.4	Confident	65 Å²	65	54.2 Å²	54.2	46%	0.455	26%	0.264	S	S	.	.	S	Bend	trans	51.5	60.6	173.9	-54.2	0	0	0	0	114.2	R197 A199	R197-S399 PolarHBondContact O-N 3.23Å; A199-S399 WeakPolarHBondContact O-CA 3.32Å
400	P	74.1	Confident	76.1	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.019	26%	0.257	C	S	.	.			trans	-61.1	153	176.1	29.7	-35.8	0	0	0	110.9	I198 P200 F395 R404 F405	I198-P400 WeakPolarHBondContact O-CD 3.07Å; I198-P400 WeakPolarHBondContact O-CG 3.38Å; P200-P400 VanDerWaalsContact CA-O 3.26Å; P200-P400 WeakPolarHBondContact CA-O 3.47Å; F395-P400 HydrophobicContact CD1-CB 4.31Å; F395-P400 HydrophobicContact CD1-CG 3.99Å; F395-P400 HydrophobicContact CE1-CG 4.44Å; F395-P400 HydrophobicContact CG-CG 4.48Å; P400-R404 HydrophobicContact CB-CB 3.93Å; P400-F405 HydrophobicContact CG-CB 4.2Å
401	T	79.3	Confident	76.7	Confident	42 Å²	42	54.2 Å²	54.2	26%	0.258	27%	0.268	S	S	.	.			trans	-57.2	154.2	168.2	74.4	0	0	0	0	110.3	M137 W403 R404 F405	M137-T401 VanDerWaalsContact CE-CB 3.42Å; M137-T401 HydrophobicContact CE-CG2 3.21Å; M137-T401 HydrophobicContact SD-CG2 4.37Å; T401-W403 PolarHBondContact O-N 3.36Å; T401-W403 VanDerWaalsContact O-N 3.12Å; T401-R404 CarbonylContact O-C 3.57Å; T401-R404 PolarHBondContact O-N 2.95Å; T401-R404 WeakPolarHBondContact OG1-CG 3.26Å; T401-R404 PolarHBondContact OG1-N 3.37Å; T401-R404 VanDerWaalsContact OG1-N 3.14Å; T401-F405 PolarHBondContact O-N 3.17Å
402	I	84	Confident	77.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-36.6	178.5	-167	177.1	0	0	0	112.5	P138 V144 I146 L173 P200 F203 L224 F405 I406	P138-I402 HydrophobicContact CG-CG2 4.42Å; V144-I402 HydrophobicContact CG1-CD1 3.53Å; I146-I402 HydrophobicContact CD1-CD1 3.54Å; L173-I402 HydrophobicContact CD1-CD1 4.05Å; P200-I402 HydrophobicContact CB-CB 4.19Å; P200-I402 HydrophobicContact CG-CB 4.28Å; P200-I402 HydrophobicContact CG-CG1 4.34Å; F203-I402 HydrophobicContact CE2-CD1 4.09Å; L224-I402 HydrophobicContact CD1-CD1 4.34Å; L224-I402 HydrophobicContact CD1-CG1 4.26Å; I402-F405 WeakPolarHBondContact O-CB 3.3Å; I402-F405 PolarHBondContact O-N 2.66Å; I402-I406 HydrophobicContact CG1-CD1 4.17Å; I402-I406 VanDerWaalsContact O-CG1 3.31Å; I402-I406 WeakPolarHBondContact O-CG1 3.3Å; I402-I406 PolarHBondContact O-N 3.4Å
403	W	83.2	Confident	78.4	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.038	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-44.8	176.2	-44.5	127.3	0	0	0	112.6	A134 P135 V145 I146 P147 Y150 T401 F405 I406 E407	A134-W403 HydrophobicContact CB-CB 3.78Å; A134-W403 HydrophobicContact CB-CG 3.6Å; P135-W403 HydrophobicContact CB-CH2 4.32Å; P135-W403 HydrophobicContact CB-CZ2 3.6Å; P135-W403 HydrophobicContact CG-CD2 4.28Å; P135-W403 HydrophobicContact CG-CH2 3.96Å; P135-W403 HydrophobicContact CG-CZ2 3.6Å; P135-W403 HydrophobicContact CG-CZ3 4.4Å; P135-W403 PolarHBondContact O-NE1 3.31Å; V145-W403 WeakPolarHBondContact O-CH2 3.45Å; I146-W403 HydrophobicContact CD1-CH2 4.45Å; I146-W403 HydrophobicContact CD1-CZ3 4.18Å; P147-W403 VanDerWaalsContact CD-CH2 3.45Å; P147-W403 HydrophobicContact CG-CH2 4.25Å; P147-W403 HydrophobicContact CG-CZ3 4.17Å; Y150-W403 AromaticContact CD1-CE3 3.96Å; Y150-W403 HydrophobicContact CD1-CE3 3.96Å; Y150-W403 AromaticContact CD2-CE3 3.85Å; Y150-W403 HydrophobicContact CD2-CE3 3.85Å; Y150-W403 HydrophobicContact CD2-CZ3 4.13Å; Y150-W403 HydrophobicContact CE1-CB 3.86Å; Y150-W403 AromaticContact CE1-CE3 3.99Å; Y150-W403 HydrophobicContact CE1-CE3 3.99Å; Y150-W403 HydrophobicContact CE2-CD2 4.43Å; Y150-W403 AromaticContact CE2-CE3 3.9Å; Y150-W403 HydrophobicContact CE2-CE3 3.9Å; Y150-W403 AromaticContact CG-CE3 3.88Å; Y150-W403 HydrophobicContact CG-CE3 3.88Å; Y150-W403 HydrophobicContact CG-CZ3 4.21Å; Y150-W403 AromaticContact CZ-CE3 3.96Å; T401-W403 PolarHBondContact O-N 3.36Å; T401-W403 VanDerWaalsContact O-N 3.12Å; W403-F405 VanDerWaalsContact C-N 3.27Å; W403-F405 PolarHBondContact O-N 2.85Å; W403-I406 HydrophobicContact CE3-CD1 4.39Å; W403-I406 HydrophobicContact CZ3-CD1 4.48Å; W403-I406 PolarHBondContact O-N 3.07Å; W403-E407 WeakPolarHBondContact O-CB 3.46Å; W403-E407 WeakPolarHBondContact O-CG 3.48Å; W403-E407 PolarHBondContact O-N 3.14Å
404	R	76.6	Confident	79.4	Confident	142 Å²	142	42.1 Å²	42.1	54%	0.536	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-31.2	174.7	-74.7	-172.2	69.9	177.4	-1.8	111.7	F395 P400 T401 G408	F395-R404 PolarHBondContact O-NH2 3.36Å; P400-R404 HydrophobicContact CB-CB 3.93Å; T401-R404 CarbonylContact O-C 3.57Å; T401-R404 PolarHBondContact O-N 2.95Å; T401-R404 WeakPolarHBondContact OG1-CG 3.26Å; T401-R404 PolarHBondContact OG1-N 3.37Å; T401-R404 VanDerWaalsContact OG1-N 3.14Å; R404-G408 PolarHBondContact O-N 3.48Å
405	F	87.3	Confident	80.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-55.5	173.7	174.7	-97.6	0	0	0	110.7	I198 P200 V206 L224 F395 P400 T401 I402 W403 E407 G408 I409	I198-F405 HydrophobicContact CD1-CE2 4.46Å; I198-F405 WeakPolarHBondContact O-CD2 3.46Å; P200-F405 HydrophobicContact CG-CB 3.69Å; P200-F405 HydrophobicContact CG-CD1 4.22Å; P200-F405 HydrophobicContact CG-CD2 4.37Å; P200-F405 HydrophobicContact CG-CG 3.82Å; V206-F405 HydrophobicContact CB-CE2 4.21Å; V206-F405 HydrophobicContact CB-CZ 4.38Å; V206-F405 HydrophobicContact CG1-CE2 3.82Å; V206-F405 HydrophobicContact CG1-CZ 3.73Å; V206-F405 HydrophobicContact CG2-CD2 4.11Å; V206-F405 HydrophobicContact CG2-CE2 3.31Å; V206-F405 HydrophobicContact CG2-CZ 3.66Å; L224-F405 HydrophobicContact CD1-CD1 3.88Å; L224-F405 HydrophobicContact CD1-CE1 3.8Å; L224-F405 HydrophobicContact CD2-CD1 4.08Å; L224-F405 HydrophobicContact CD2-CE1 3.67Å; L224-F405 HydrophobicContact CD2-CE2 4.33Å; L224-F405 HydrophobicContact CD2-CZ 3.81Å; L224-F405 HydrophobicContact CG-CD1 4.24Å; L224-F405 HydrophobicContact CG-CE1 3.71Å; L224-F405 HydrophobicContact CG-CZ 4.22Å; F395-F405 HydrophobicContact CE1-CD2 4.09Å; F395-F405 AromaticContact CZ-CD2 3.93Å; F395-F405 HydrophobicContact CZ-CD2 3.93Å; F395-F405 HydrophobicContact CZ-CE2 4.2Å; P400-F405 HydrophobicContact CG-CB 4.2Å; T401-F405 PolarHBondContact O-N 3.17Å; I402-F405 WeakPolarHBondContact O-CB 3.3Å; I402-F405 PolarHBondContact O-N 2.66Å; W403-F405 VanDerWaalsContact C-N 3.27Å; W403-F405 PolarHBondContact O-N 2.85Å; F405-E407 VanDerWaalsContact C-N 3.33Å; F405-E407 PolarHBondContact O-N 3.06Å; F405-G408 WeakPolarHBondContact O-CA 3.39Å; F405-G408 PolarHBondContact O-N 2.97Å; F405-I409 HydrophobicContact CD1-CD1 4.44Å; F405-I409 HydrophobicContact CD2-CG2 4.35Å; F405-I409 HydrophobicContact CE1-CD1 3.84Å; F405-I409 HydrophobicContact CE1-CG1 4.45Å; F405-I409 HydrophobicContact CE1-CG2 4.02Å; F405-I409 HydrophobicContact CE2-CG2 3.73Å; F405-I409 HydrophobicContact CZ-CD1 4.33Å; F405-I409 HydrophobicContact CZ-CG2 3.56Å; F405-I409 PolarHBondContact O-N 3.14Å
406	I	89.4	Confident	81.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-46.1	-179.7	-64.3	169.2	0	0	0	110.9	I146 Y150 F175 I402 W403 G408 I409 R410	I146-I406 HydrophobicContact CD1-CD1 4.22Å; I146-I406 HydrophobicContact CG2-CD1 4.26Å; Y150-I406 HydrophobicContact CD1-CB 3.92Å; Y150-I406 HydrophobicContact CD1-CD1 4.12Å; Y150-I406 HydrophobicContact CD1-CG2 3.79Å; Y150-I406 HydrophobicContact CG-CD1 4.35Å; Y150-I406 HydrophobicContact CG-CG2 4.49Å; F175-I406 HydrophobicContact CE1-CD1 4.01Å; F175-I406 HydrophobicContact CE1-CG1 3.98Å; F175-I406 HydrophobicContact CE1-CG2 4.34Å; F175-I406 HydrophobicContact CE2-CG1 4.43Å; F175-I406 HydrophobicContact CZ-CD1 3.73Å; F175-I406 HydrophobicContact CZ-CG1 3.76Å; I402-I406 HydrophobicContact CG1-CD1 4.17Å; I402-I406 VanDerWaalsContact O-CG1 3.31Å; I402-I406 WeakPolarHBondContact O-CG1 3.3Å; I402-I406 PolarHBondContact O-N 3.4Å; W403-I406 HydrophobicContact CE3-CD1 4.39Å; W403-I406 HydrophobicContact CZ3-CD1 4.48Å; W403-I406 PolarHBondContact O-N 3.07Å; I406-G408 VanDerWaalsContact C-N 3.29Å; I406-G408 PolarHBondContact O-N 2.75Å; I406-I409 WeakPolarHBondContact O-CG1 3.24Å; I406-I409 PolarHBondContact O-N 2.92Å; I406-R410 WeakPolarHBondContact O-CG 3.47Å; I406-R410 PolarHBondContact O-N 2.96Å
407	E	84.7	Confident	83.5	Confident	74 Å²	74	38.5 Å²	38.5	35%	0.346	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-34	175.7	-75.9	-60.9	122.5	0	0	113.4	Y150 W403 F405 R410 K411	Y150-E407 HydrophobicContact CE1-CG 4.11Å; W403-E407 WeakPolarHBondContact O-CB 3.46Å; W403-E407 WeakPolarHBondContact O-CG 3.48Å; W403-E407 PolarHBondContact O-N 3.14Å; F405-E407 VanDerWaalsContact C-N 3.33Å; F405-E407 PolarHBondContact O-N 3.06Å; E407-R410 IonicContact OE1-CZ 3.14Å; E407-R410 IonicContact OE1-NH1 3.6Å; E407-R410 PolarHBondContact OE1-NH1 3.34Å; E407-K411 WeakPolarHBondContact O-CG 3.27Å; E407-K411 PolarHBondContact O-N 2.97Å
408	G	85.1	Confident	85.1	Confident	5 Å²	5	40.5 Å²	40.5	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-70.6	-44.4	176.2	0	0	0	0	0	112.5	R404 F405 I406 R410 K411 I412	R404-G408 PolarHBondContact O-N 3.48Å; F405-G408 WeakPolarHBondContact O-CA 3.39Å; F405-G408 PolarHBondContact O-N 2.97Å; I406-G408 VanDerWaalsContact C-N 3.29Å; I406-G408 PolarHBondContact O-N 2.75Å; G408-R410 VanDerWaalsContact C-N 3.32Å; G408-R410 PolarHBondContact O-N 2.72Å; G408-K411 WeakPolarHBondContact O-CB 3.16Å; G408-K411 PolarHBondContact O-N 3.09Å; G408-I412 WeakPolarHBondContact O-CD1 3.48Å; G408-I412 WeakPolarHBondContact O-CG1 3.29Å; G408-I412 PolarHBondContact O-N 3.2Å
409	I	91.4	Very high	86	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-32.7	176.7	61.9	169.6	0	0	0	112.2	F159 F175 Y222 F395 F405 I406 K411 I412 Q413	F159-I409 HydrophobicContact CE1-CD1 3.69Å; F159-I409 HydrophobicContact CE1-CG1 3.89Å; F159-I409 HydrophobicContact CZ-CD1 4.02Å; F159-I409 HydrophobicContact CZ-CG1 4.13Å; F175-I409 HydrophobicContact CB-CD1 3.6Å; F175-I409 HydrophobicContact CD1-CD1 4.18Å; F175-I409 HydrophobicContact CD2-CD1 3.98Å; F175-I409 HydrophobicContact CG-CD1 3.67Å; Y222-I409 HydrophobicContact CD1-CB 4.18Å; Y222-I409 HydrophobicContact CD1-CG2 3.83Å; Y222-I409 HydrophobicContact CD2-CB 4.17Å; Y222-I409 HydrophobicContact CD2-CD1 4.28Å; Y222-I409 HydrophobicContact CE1-CB 4.4Å; Y222-I409 HydrophobicContact CE1-CG2 4.34Å; Y222-I409 HydrophobicContact CE2-CB 4.42Å; Y222-I409 HydrophobicContact CG-CB 4.06Å; Y222-I409 HydrophobicContact CG-CD1 4.29Å; Y222-I409 HydrophobicContact CG-CG2 3.98Å; F395-I409 HydrophobicContact CZ-CG2 4.03Å; F405-I409 HydrophobicContact CD1-CD1 4.44Å; F405-I409 HydrophobicContact CD2-CG2 4.35Å; F405-I409 HydrophobicContact CE1-CD1 3.84Å; F405-I409 HydrophobicContact CE1-CG1 4.45Å; F405-I409 HydrophobicContact CE1-CG2 4.02Å; F405-I409 HydrophobicContact CE2-CG2 3.73Å; F405-I409 HydrophobicContact CZ-CD1 4.33Å; F405-I409 HydrophobicContact CZ-CG2 3.56Å; F405-I409 PolarHBondContact O-N 3.14Å; I406-I409 WeakPolarHBondContact O-CG1 3.24Å; I406-I409 PolarHBondContact O-N 2.92Å; I409-K411 VanDerWaalsContact C-N 3.34Å; I409-K411 PolarHBondContact O-N 3.46Å; I409-I412 HydrophobicContact CG2-CD1 4.35Å; I409-I412 PolarHBondContact O-N 2.9Å; I409-Q413 WeakPolarHBondContact O-CB 3.5Å; I409-Q413 PolarHBondContact O-N 2.96Å
410	R	89.8	Confident	86.9	Confident	34 Å²	34	35.5 Å²	35.5	13%	0.128	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-44	170.3	-75	177	170.7	167.1	-5.5	111.8	D149 Y150 T152 Y153 F159 I406 E407 G408 I412 Q413 T414	D149-R410 VanDerWaalsContact O-CZ 3.23Å; D149-R410 PolarHBondContact O-NH1 2.93Å; D149-R410 PolarHBondContact O-NH2 2.92Å; Y150-R410 PolarHBondContact O-NH2 3.01Å; T152-R410 PolarHBondContact O-NE 3.31Å; T152-R410 PolarHBondContact O-NH2 3.5Å; Y153-R410 HydrophobicContact CD2-CB 4.49Å; Y153-R410 HydrophobicContact CD2-CG 4.19Å; Y153-R410 HydrophobicContact CE2-CB 4.43Å; F159-R410 HydrophobicContact CD1-CG 4.15Å; F159-R410 HydrophobicContact CE1-CG 3.77Å; F159-R410 HydrophobicContact CZ-CG 4.28Å; I406-R410 WeakPolarHBondContact O-CG 3.47Å; I406-R410 PolarHBondContact O-N 2.96Å; E407-R410 IonicContact OE1-CZ 3.14Å; E407-R410 IonicContact OE1-NH1 3.6Å; E407-R410 PolarHBondContact OE1-NH1 3.34Å; G408-R410 VanDerWaalsContact C-N 3.32Å; G408-R410 PolarHBondContact O-N 2.72Å; R410-I412 VanDerWaalsContact C-N 3.35Å; R410-I412 PolarHBondContact O-N 3.01Å; R410-Q413 WeakPolarHBondContact O-CB 3.46Å; R410-Q413 PolarHBondContact O-N 2.85Å; R410-T414 PolarHBondContact O-N 2.91Å; R410-T414 PolarHBondContact O-OG1 3.17Å
411	K	86.8	Confident	87.9	Confident	130 Å²	130	40.9 Å²	40.9	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-65.7	-37	176	-68.6	173.3	-174.1	176.6	0	112.8	I394 E407 G408 I409 T414 G415	I394-K411 HydrophobicContact CG2-CB 4.32Å; I394-K411 HydrophobicContact CG2-CD 4.44Å; E407-K411 WeakPolarHBondContact O-CG 3.27Å; E407-K411 PolarHBondContact O-N 2.97Å; G408-K411 WeakPolarHBondContact O-CB 3.16Å; G408-K411 PolarHBondContact O-N 3.09Å; I409-K411 VanDerWaalsContact C-N 3.34Å; I409-K411 PolarHBondContact O-N 3.46Å; K411-T414 PolarHBondContact O-N 3.41Å; K411-G415 PolarHBondContact O-N 3.31Å
412	I	88.6	Confident	88.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-46	174.6	-64	154	0	0	0	109.4	P219 Y222 M391 I394 F395 G408 I409 R410 T414 G415 G416	P219-I412 HydrophobicContact CB-CG2 4.47Å; P219-I412 HydrophobicContact CG-CG2 3.78Å; Y222-I412 HydrophobicContact CE1-CG2 4.09Å; Y222-I412 WeakPolarHBondContact OH-CG2 3.4Å; M391-I412 HydrophobicContact CB-CD1 4.26Å; M391-I412 HydrophobicContact CE-CD1 4.19Å; M391-I412 HydrophobicContact CE-CG2 4.24Å; M391-I412 HydrophobicContact CG-CD1 3.58Å; M391-I412 HydrophobicContact CG-CG1 4.32Å; I394-I412 HydrophobicContact CD1-CB 4.45Å; I394-I412 HydrophobicContact CD1-CD1 4.48Å; I394-I412 HydrophobicContact CD1-CG1 3.44Å; I394-I412 VanDerWaalsContact CD1-CG1 3.44Å; I394-I412 HydrophobicContact CG2-CG1 4.41Å; F395-I412 HydrophobicContact CE2-CD1 3.83Å; F395-I412 HydrophobicContact CZ-CD1 4.01Å; G408-I412 WeakPolarHBondContact O-CD1 3.48Å; G408-I412 WeakPolarHBondContact O-CG1 3.29Å; G408-I412 PolarHBondContact O-N 3.2Å; I409-I412 HydrophobicContact CG2-CD1 4.35Å; I409-I412 PolarHBondContact O-N 2.9Å; R410-I412 VanDerWaalsContact C-N 3.35Å; R410-I412 PolarHBondContact O-N 3.01Å; I412-T414 PolarHBondContact O-N 3.15Å; I412-G415 WeakPolarHBondContact O-CA 3.38Å; I412-G415 PolarHBondContact O-N 3.45Å; I412-G415 VanDerWaalsContact O-N 3.12Å; I412-G416 PolarHBondContact O-N 3.15Å
413	Q	92.4	Very high	88.9	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-45.4	176.1	-175.3	63.9	47.8	0	0	111.5	Y153 F159 R177 I409 R410 G415 G416 D417	Y153-Q413 HydrophobicContact CD2-CG 4.29Å; Y153-Q413 HydrophobicContact CE1-CG 4.38Å; Y153-Q413 HydrophobicContact CE2-CB 3.87Å; Y153-Q413 HydrophobicContact CE2-CG 3.73Å; F159-Q413 HydrophobicContact CE2-CB 4.39Å; F159-Q413 HydrophobicContact CE2-CG 4.18Å; R177-Q413 HydrophobicContact CG-CG 3.75Å; I409-Q413 WeakPolarHBondContact O-CB 3.5Å; I409-Q413 PolarHBondContact O-N 2.96Å; R410-Q413 WeakPolarHBondContact O-CB 3.46Å; R410-Q413 PolarHBondContact O-N 2.85Å; Q413-G415 VanDerWaalsContact C-N 3.27Å; Q413-G415 PolarHBondContact O-N 2.68Å; Q413-G416 CarbonylContact O-C 3.24Å; Q413-G416 WeakPolarHBondContact O-CA 3.21Å; Q413-G416 PolarHBondContact O-N 2.89Å; Q413-D417 PolarHBondContact NE2-OD1 3.46Å; Q413-D417 VanDerWaalsContact O-CG 3.25Å; Q413-D417 PolarHBondContact O-N 2.78Å
414	T	90.4	Very high	89.3	Confident	72 Å²	72	50.6 Å²	50.6	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-39.3	175.9	-53.4	0	0	0	0	112.1	Y153 R410 K411 I412 D417 V418	Y153-T414 WeakPolarHBondContact OH-CA 3.36Å; Y153-T414 PolarHBondContact OH-N 3.12Å; Y153-T414 VanDerWaalsContact OH-N 3.16Å; Y153-T414 PolarHBondContact OH-OG1 2.95Å; R410-T414 PolarHBondContact O-N 2.91Å; R410-T414 PolarHBondContact O-OG1 3.17Å; K411-T414 PolarHBondContact O-N 3.41Å; I412-T414 PolarHBondContact O-N 3.15Å; T414-D417 PolarHBondContact O-N 3.14Å; T414-V418 WeakPolarHBondContact O-CG2 3.47Å; T414-V418 PolarHBondContact O-N 2.84Å; T414-V418 VanDerWaalsContact O-N 3.12Å
415	G	87.6	Confident	90.2	Very high	27 Å²	27	47.5 Å²	47.5	28%	0.278	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-40.9	172.7	0	0	0	0	0	112.9	K411 I412 Q413 V418 E419	K411-G415 PolarHBondContact O-N 3.31Å; I412-G415 WeakPolarHBondContact O-CA 3.38Å; I412-G415 PolarHBondContact O-N 3.45Å; I412-G415 VanDerWaalsContact O-N 3.12Å; Q413-G415 VanDerWaalsContact C-N 3.27Å; Q413-G415 PolarHBondContact O-N 2.68Å; G415-V418 PolarHBondContact O-N 2.75Å; G415-E419 PolarHBondContact O-N 3.44Å; G415-E419 VanDerWaalsContact O-N 3.09Å
416	G	89.7	Confident	90.4	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-39.8	175.2	0	0	0	0	0	112.9	I412 Q413 V418 E419 Y420	I412-G416 PolarHBondContact O-N 3.15Å; Q413-G416 CarbonylContact O-C 3.24Å; Q413-G416 WeakPolarHBondContact O-CA 3.21Å; Q413-G416 PolarHBondContact O-N 2.89Å; G416-V418 VanDerWaalsContact C-N 3.35Å; G416-V418 PolarHBondContact O-N 2.93Å; G416-E419 PolarHBondContact O-N 2.98Å; G416-Y420 PolarHBondContact O-N 2.93Å
417	D	91.7	Very high	90.5	Very high	28 Å²	28	53 Å²	53	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-43.2	175.3	-65.7	-25.5	0	0	0	110.7	Y153 R177 Q413 T414 E419 Y420 E421	Y153-D417 VanDerWaalsContact CE1-OD2 3.23Å; Y153-D417 WeakPolarHBondContact CE1-OD2 3.49Å; Y153-D417 PolarHBondContact OH-OD2 3.22Å; R177-D417 VanDerWaalsContact CD-OD1 3.3Å; R177-D417 WeakPolarHBondContact CD-OD1 3.47Å; R177-D417 IonicContact CZ-OD1 3.36Å; R177-D417 IonicContact CZ-OD2 2.89Å; R177-D417 IonicContact NE-OD1 3.22Å; R177-D417 IonicContact NE-OD2 3.61Å; R177-D417 IonicContact NH1-OD1 2.72Å; R177-D417 PolarHBondContact NH1-OD1 3.4Å; R177-D417 IonicContact NH1-OD2 2.75Å; R177-D417 PolarHBondContact NH1-OD2 2.81Å; Q413-D417 PolarHBondContact NE2-OD1 3.46Å; Q413-D417 VanDerWaalsContact O-CG 3.25Å; Q413-D417 PolarHBondContact O-N 2.78Å; T414-D417 PolarHBondContact O-N 3.14Å; D417-E419 VanDerWaalsContact C-N 3.32Å; D417-E419 PolarHBondContact O-N 3.12Å; D417-Y420 WeakPolarHBondContact O-CB 3.42Å; D417-Y420 PolarHBondContact O-N 2.99Å; D417-E421 WeakPolarHBondContact O-CG 3.45Å; D417-E421 PolarHBondContact O-N 2.96Å
418	V	90.9	Very high	90.6	Very high	86 Å²	86	56.9 Å²	56.9	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-39.8	174.4	171.8	0	0	0	0	111.5	T414 G415 G416 R422	T414-V418 WeakPolarHBondContact O-CG2 3.47Å; T414-V418 PolarHBondContact O-N 2.84Å; T414-V418 VanDerWaalsContact O-N 3.12Å; G415-V418 PolarHBondContact O-N 2.75Å; G416-V418 VanDerWaalsContact C-N 3.35Å; G416-V418 PolarHBondContact O-N 2.93Å; V418-R422 VanDerWaalsContact O-CG 3.29Å; V418-R422 WeakPolarHBondContact O-CG 3.39Å; V418-R422 PolarHBondContact O-N 3.01Å
419	E	90.2	Very high	90.5	Very high	28 Å²	28	58.5 Å²	58.5	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-37.4	175.4	-74.7	174.2	155.5	0	0	111.9	F216 L218 R390 G415 G416 D417 R422 Y423	F216-E419 HydrophobicContact CD1-CB 4.27Å; L218-E419 HydrophobicContact CD2-CB 3.55Å; R390-E419 IonicContact CZ-OE1 3.3Å; R390-E419 IonicContact CZ-OE2 3.97Å; R390-E419 IonicContact NH1-OE1 3.46Å; R390-E419 PolarHBondContact NH1-OE1 2.6Å; R390-E419 IonicContact NH1-OE2 3.14Å; R390-E419 PolarHBondContact NH1-OE2 3.47Å; R390-E419 IonicContact NH2-OE1 3.91Å; R390-E419 PolarHBondContact NH2-OE1 3.03Å; R390-E419 IonicContact NH2-OE2 3.62Å; G415-E419 PolarHBondContact O-N 3.44Å; G415-E419 VanDerWaalsContact O-N 3.09Å; G416-E419 PolarHBondContact O-N 2.98Å; D417-E419 VanDerWaalsContact C-N 3.32Å; D417-E419 PolarHBondContact O-N 3.12Å; E419-R422 WeakPolarHBondContact O-CB 3.09Å; E419-R422 PolarHBondContact O-N 2.91Å; E419-Y423 PolarHBondContact O-N 2.88Å
420	Y	92.3	Very high	89.8	Confident	50 Å²	50	60.8 Å²	60.8	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-45.4	173.4	-174.8	-98	0	0	0	112.3	W183 R213 L218 G416 D417 R422 Y423 V424	W183-Y420 HydrophobicContact CD2-CE2 4.02Å; W183-Y420 AromaticContact CE2-CE2 3.78Å; W183-Y420 HydrophobicContact CE3-CE2 4.25Å; W183-Y420 HydrophobicContact CH2-CD2 4.2Å; W183-Y420 HydrophobicContact CH2-CE2 4.07Å; W183-Y420 AromaticContact CZ2-CD2 3.98Å; W183-Y420 HydrophobicContact CZ2-CD2 3.98Å; W183-Y420 AromaticContact CZ2-CE2 3.83Å; W183-Y420 HydrophobicContact CZ2-CE2 3.83Å; W183-Y420 HydrophobicContact CZ3-CE2 4.27Å; R213-Y420 HydrophobicContact CG-CE2 4.47Å; L218-Y420 HydrophobicContact CD1-CD2 3.59Å; L218-Y420 HydrophobicContact CD1-CG 4.22Å; G416-Y420 PolarHBondContact O-N 2.93Å; D417-Y420 WeakPolarHBondContact O-CB 3.42Å; D417-Y420 PolarHBondContact O-N 2.99Å; Y420-R422 VanDerWaalsContact C-N 3.26Å; Y420-R422 PolarHBondContact O-N 2.88Å; Y420-Y423 HydrophobicContact CD2-CD1 4.39Å; Y420-Y423 HydrophobicContact CE2-CD1 4.29Å; Y420-Y423 WeakPolarHBondContact O-CA 3.49Å; Y420-Y423 VanDerWaalsContact O-CB 3.29Å; Y420-Y423 WeakPolarHBondContact O-CB 3.26Å; Y420-Y423 PolarHBondContact O-N 2.79Å; Y420-Y423 VanDerWaalsContact O-N 3.08Å; Y420-V424 HydrophobicContact CD1-CG2 4.06Å; Y420-V424 HydrophobicContact CE1-CG2 3.71Å; Y420-V424 WeakPolarHBondContact O-CG2 3Å; Y420-V424 PolarHBondContact O-N 3.26Å
421	E	93.7	Very high	88.8	Confident	116 Å²	116	70.6 Å²	70.6	54%	0.542	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-35.2	175.9	-71.5	-56.3	144.2	0	0	111.9	D417 V424 A425	D417-E421 WeakPolarHBondContact O-CG 3.45Å; D417-E421 PolarHBondContact O-N 2.96Å; E421-V424 PolarHBondContact O-N 2.95Å; E421-A425 WeakPolarHBondContact O-CB 3.36Å; E421-A425 PolarHBondContact O-N 2.84Å
422	R	93.1	Very high	87.9	Confident	104 Å²	104	65.8 Å²	65.8	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-42.1	172.4	-74.9	177.8	68.6	-171.3	0.1	112.2	F216 V418 E419 Y420 A425 G426 V427	F216-R422 HydrophobicContact CE1-CB 4.36Å; F216-R422 HydrophobicContact CZ-CB 4.42Å; V418-R422 VanDerWaalsContact O-CG 3.29Å; V418-R422 WeakPolarHBondContact O-CG 3.39Å; V418-R422 PolarHBondContact O-N 3.01Å; E419-R422 WeakPolarHBondContact O-CB 3.09Å; E419-R422 PolarHBondContact O-N 2.91Å; Y420-R422 VanDerWaalsContact C-N 3.26Å; Y420-R422 PolarHBondContact O-N 2.88Å; R422-A425 PolarHBondContact O-N 2.82Å; R422-G426 PolarHBondContact O-N 2.86Å; R422-V427 HydrophobicContact CB-CB 4.1Å; R422-V427 HydrophobicContact CB-CG2 4.28Å; R422-V427 WeakPolarHBondContact O-CB 3.06Å; R422-V427 WeakPolarHBondContact O-CG2 3.47Å; R422-V427 PolarHBondContact O-N 2.75Å
423	Y	92.3	Very high	87.1	Confident	65 Å²	65	73 Å²	73	26%	0.255	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-48.7	172.2	159.6	-102.9	0	0	0	111.1	R213 F216 E419 Y420 A425 G426	R213-Y423 HydrophobicContact CG-CD1 3.95Å; R213-Y423 HydrophobicContact CG-CE1 3.56Å; R213-Y423 HydrophobicContact CG-CE2 4.31Å; R213-Y423 HydrophobicContact CG-CG 4.47Å; R213-Y423 PolarHBondContact NE-OH 2.93Å; F216-Y423 HydrophobicContact CD2-CD2 4.06Å; F216-Y423 HydrophobicContact CD2-CG 4.24Å; F216-Y423 HydrophobicContact CE2-CD2 4.23Å; F216-Y423 HydrophobicContact CE2-CG 4.45Å; E419-Y423 PolarHBondContact O-N 2.88Å; Y420-Y423 HydrophobicContact CD2-CD1 4.39Å; Y420-Y423 HydrophobicContact CE2-CD1 4.29Å; Y420-Y423 WeakPolarHBondContact O-CA 3.49Å; Y420-Y423 VanDerWaalsContact O-CB 3.29Å; Y420-Y423 WeakPolarHBondContact O-CB 3.26Å; Y420-Y423 PolarHBondContact O-N 2.79Å; Y420-Y423 VanDerWaalsContact O-N 3.08Å; Y423-A425 VanDerWaalsContact C-N 3.27Å; Y423-A425 PolarHBondContact O-N 2.87Å; Y423-G426 PolarHBondContact O-N 2.87Å
424	V	92.2	Very high	86.2	Confident	87 Å²	87	75.5 Å²	75.5	53%	0.527	40%	0.403	S	S	.	.	H	α-helix	trans	-59.7	-38.4	177.9	173.9	0	0	0	0	111.4	Y420 E421 G426	Y420-V424 HydrophobicContact CD1-CG2 4.06Å; Y420-V424 HydrophobicContact CE1-CG2 3.71Å; Y420-V424 WeakPolarHBondContact O-CG2 3Å; Y420-V424 PolarHBondContact O-N 3.26Å; E421-V424 PolarHBondContact O-N 2.95Å; V424-G426 PolarHBondContact O-N 2.89Å; V424-G426 VanDerWaalsContact O-N 3.15Å
425	A	94.7	Very high	85.6	Confident	78 Å²	78	77.7 Å²	77.7	65%	0.645	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	4.3	175	0	0	0	0	0	114.4	E421 R422 Y423 V427	E421-A425 WeakPolarHBondContact O-CB 3.36Å; E421-A425 PolarHBondContact O-N 2.84Å; R422-A425 PolarHBondContact O-N 2.82Å; Y423-A425 VanDerWaalsContact C-N 3.27Å; Y423-A425 PolarHBondContact O-N 2.87Å; A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 HydrophobicContact CB-CG2 4.26Å; A425-V427 PolarHBondContact O-N 2.96Å
426	G	91.9	Very high	84.9	Confident	58 Å²	58	79.2 Å²	79.2	60%	0.598	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	14.6	179	0	0	0	0	0	114.4	R422 Y423 V424	R422-G426 PolarHBondContact O-N 2.86Å; Y423-G426 PolarHBondContact O-N 2.87Å; V424-G426 PolarHBondContact O-N 2.89Å; V424-G426 VanDerWaalsContact O-N 3.15Å
427	V	91.6	Very high	84.3	Confident	58 Å²	58	81 Å²	81	35%	0.352	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-71.4	134.9	177.5	-176.4	0	0	0	0	109	F216 R422 A425	F216-V427 VanDerWaalsContact CE2-O 3.26Å; F216-V427 WeakPolarHBondContact CE2-O 3.49Å; F216-V427 VanDerWaalsContact CZ-O 3.23Å; F216-V427 WeakPolarHBondContact CZ-O 3.45Å; R422-V427 HydrophobicContact CB-CB 4.1Å; R422-V427 HydrophobicContact CB-CG2 4.28Å; R422-V427 WeakPolarHBondContact O-CB 3.06Å; R422-V427 WeakPolarHBondContact O-CG2 3.47Å; R422-V427 PolarHBondContact O-N 2.75Å; A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 HydrophobicContact CB-CG2 4.26Å; A425-V427 PolarHBondContact O-N 2.96Å
428	Q	86.8	Confident	83.9	Confident	154 Å²	154	86.4 Å²	86.4	72%	0.72	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63.6	144.6	174.4	-67	-62.1	-42.9	0	0	111.1
429	P	83.2	Confident	83.5	Confident	39 Å²	39	83.9 Å²	83.9	25%	0.253	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-57.6	151.1	178.8	24.5	-34.1	0	0	0	111.2	G215 F216 R431	G215-P429 WeakPolarHBondContact O-CB 3.38Å; F216-P429 HydrophobicContact CD1-CB 4.45Å; F216-P429 HydrophobicContact CD2-CB 3.96Å; F216-P429 HydrophobicContact CE1-CB 4.45Å; F216-P429 HydrophobicContact CE2-CB 3.94Å; F216-P429 HydrophobicContact CG-CB 4.23Å; F216-P429 VanDerWaalsContact CZ-CA 3.5Å; F216-P429 HydrophobicContact CZ-CB 4.21Å; P429-R431 PolarHBondContact O-N 2.93Å
430	P	76.5	Confident	83.2	Confident	49 Å²	49	85 Å²	85	32%	0.318	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-55.6	129.2	178.3	23	-31.9	0	0	0	109.8	F383 Q432	F383-P430 HydrophobicContact CE1-CG 4.38Å; P430-Q432 PolarHBondContact O-N 3.24Å
431	R	68.3	Low	82.9	Confident	240 Å²	240	87.2 Å²	87.2	91%	0.906	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-55.8	133.4	175.5	-71.3	-173.7	176	-179.6	-1.5	109	P429	P429-R431 PolarHBondContact O-N 2.93Å
432	Q	68.8	Low	82.8	Confident	30 Å²	30	88.6 Å²	88.6	14%	0.14	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-67.8	169.1	171.8	-54.4	-170.7	-1.6	0	0	108.5	R379 N382 F383 P430 A434 D437	R379-Q432 PolarHBondContact O-NE2 2.98Å; N382-Q432 PolarHBondContact ND2-OE1 2.79Å; F383-Q432 VanDerWaalsContact CE2-NE2 3.31Å; P430-Q432 PolarHBondContact O-N 3.24Å; Q432-A434 PolarHBondContact O-N 2.84Å; Q432-A434 VanDerWaalsContact O-N 3.16Å; Q432-D437 WeakPolarHBondContact CB-OD2 3.39Å; Q432-D437 PolarHBondContact N-OD2 2.84Å
433	R	70.5	Confident	82.8	Confident	153 Å²	153	84.2 Å²	84.2	58%	0.577	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-57.5	130.6	171.7	-64	-176.3	174.1	175.2	-10	107.3	Q435 Y436 D437	R433-Q435 CarbonylContact O-C 3.58Å; R433-Q435 PolarHBondContact O-N 3.28Å; R433-Y436 HydrophobicContact CB-CD2 3.72Å; R433-Y436 HydrophobicContact CB-CE2 4.19Å; R433-Y436 HydrophobicContact CG-CD2 4.23Å; R433-Y436 HydrophobicContact CG-CE2 4.29Å; R433-Y436 PolarHBondContact O-N 2.79Å; R433-D437 PolarHBondContact O-N 3.08Å
434	A	74.6	Confident	82.8	Confident	60 Å²	60	85 Å²	85	50%	0.496	43%	0.427	S	S	.	.	H	α-helix	trans	-52.2	-29.4	-173.5	0	0	0	0	0	113.5	Q432 R438	Q432-A434 PolarHBondContact O-N 2.84Å; Q432-A434 VanDerWaalsContact O-N 3.16Å; A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 VanDerWaalsContact O-CG 3.25Å; A434-R438 WeakPolarHBondContact O-CG 3.41Å; A434-R438 PolarHBondContact O-N 3.24Å; A434-R438 PolarHBondContact O-NE 3.3Å
435	Q	75.9	Confident	82.8	Confident	118 Å²	118	82 Å²	82	55%	0.551	41%	0.413	S	S	*	.	H	α-helix	trans	-61.3	-51.8	172.4	-179.2	174	3.4	0	0	112.6	R433 D437 R438 D439	R433-Q435 CarbonylContact O-C 3.58Å; R433-Q435 PolarHBondContact O-N 3.28Å; Q435-D437 VanDerWaalsContact C-N 3.33Å; Q435-D437 PolarHBondContact O-N 3.18Å; Q435-R438 WeakPolarHBondContact O-CB 3.41Å; Q435-R438 PolarHBondContact O-N 2.64Å; Q435-R438 VanDerWaalsContact O-N 3.14Å; Q435-D439 WeakPolarHBondContact CG-OD2 3.36Å; Q435-D439 PolarHBondContact O-N 2.9Å
436	Y	73.7	Confident	82.9	Confident	60 Å²	60	79.1 Å²	79.1	24%	0.235	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-39.6	-179.7	-66.8	-56.6	0	0	0	112.6	N382 R433 R438 D439 R440	N382-Y436 WeakPolarHBondContact ND2-CB 3.45Å; R433-Y436 HydrophobicContact CB-CD2 3.72Å; R433-Y436 HydrophobicContact CB-CE2 4.19Å; R433-Y436 HydrophobicContact CG-CD2 4.23Å; R433-Y436 HydrophobicContact CG-CE2 4.29Å; R433-Y436 PolarHBondContact O-N 2.79Å; Y436-R438 VanDerWaalsContact C-N 3.34Å; Y436-D439 PolarHBondContact O-N 3.49Å; Y436-R440 WeakPolarHBondContact O-CB 3.08Å; Y436-R440 PolarHBondContact O-N 3.24Å
437	D	76.7	Confident	83	Confident	41 Å²	41	76.3 Å²	76.3	22%	0.219	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-41.4	175	-83.1	-38.2	0	0	0	111.3	Q432 R433 Q435 R440 V441	Q432-D437 WeakPolarHBondContact CB-OD2 3.39Å; Q432-D437 PolarHBondContact N-OD2 2.84Å; R433-D437 PolarHBondContact O-N 3.08Å; Q435-D437 VanDerWaalsContact C-N 3.33Å; Q435-D437 PolarHBondContact O-N 3.18Å; D437-R440 IonicContact OD1-NE 2.74Å; D437-R440 IonicContact OD1-NH2 3.31Å; D437-R440 PolarHBondContact OD1-NH2 2.8Å; D437-V441 WeakPolarHBondContact O-CB 3.37Å; D437-V441 WeakPolarHBondContact O-CG2 3.38Å; D437-V441 PolarHBondContact O-N 3.46Å
438	R	83.2	Confident	83.1	Confident	140 Å²	140	79.2 Å²	79.2	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-47.1	175.4	-76.6	-174.1	-58.7	-113.1	5.3	112.4	A434 Q435 Y436 R440 V441 R442	A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 VanDerWaalsContact O-CG 3.25Å; A434-R438 WeakPolarHBondContact O-CG 3.41Å; A434-R438 PolarHBondContact O-N 3.24Å; A434-R438 PolarHBondContact O-NE 3.3Å; Q435-R438 WeakPolarHBondContact O-CB 3.41Å; Q435-R438 PolarHBondContact O-N 2.64Å; Q435-R438 VanDerWaalsContact O-N 3.14Å; Y436-R438 VanDerWaalsContact C-N 3.34Å; R438-R440 VanDerWaalsContact C-N 3.32Å; R438-R440 PolarHBondContact O-N 2.85Å; R438-V441 PolarHBondContact O-N 2.93Å; R438-R442 WeakPolarHBondContact O-CG 3.47Å; R438-R442 PolarHBondContact O-N 3.42Å
439	D	83.5	Confident	83.5	Confident	34 Å²	34	74.4 Å²	74.4	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-42.3	-179	-64.1	-16.6	0	0	0	110	Q435 Y436 R442 L443	Q435-D439 WeakPolarHBondContact CG-OD2 3.36Å; Q435-D439 PolarHBondContact O-N 2.9Å; Y436-D439 PolarHBondContact O-N 3.49Å; D439-R442 PolarHBondContact O-N 3.22Å; D439-L443 WeakPolarHBondContact O-CB 3.42Å; D439-L443 VanDerWaalsContact O-CG 3.3Å; D439-L443 WeakPolarHBondContact O-CG 3.44Å; D439-L443 PolarHBondContact O-N 2.88Å
440	R	83.3	Confident	84	Confident	51 Å²	51	73.3 Å²	73.3	19%	0.192	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-46.7	173.7	-174.2	175.5	63.9	99.7	-1.2	112.4	M373 R379 Y436 D437 R438 R442 L443 Y444	M373-R440 HydrophobicContact CE-CB 4.43Å; M373-R440 HydrophobicContact CE-CG 3.69Å; M373-R440 WeakPolarHBondContact CE-O 3.44Å; R379-R440 VanDerWaalsContact NE-NH1 3.11Å; Y436-R440 WeakPolarHBondContact O-CB 3.08Å; Y436-R440 PolarHBondContact O-N 3.24Å; D437-R440 IonicContact OD1-NE 2.74Å; D437-R440 IonicContact OD1-NH2 3.31Å; D437-R440 PolarHBondContact OD1-NH2 2.8Å; R438-R440 VanDerWaalsContact C-N 3.32Å; R438-R440 PolarHBondContact O-N 2.85Å; R440-R442 VanDerWaalsContact C-N 3.29Å; R440-R442 PolarHBondContact O-N 2.93Å; R440-L443 PolarHBondContact O-N 3.25Å; R440-Y444 WeakPolarHBondContact O-CB 3.38Å; R440-Y444 PolarHBondContact O-N 3.37Å
441	V	86.8	Confident	84.8	Confident	96 Å²	96	80 Å²	80	58%	0.582	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-40.3	177.5	167.7	0	0	0	0	111.2	D437 R438 Y444 G445	D437-V441 WeakPolarHBondContact O-CB 3.37Å; D437-V441 WeakPolarHBondContact O-CG2 3.38Å; D437-V441 PolarHBondContact O-N 3.46Å; R438-V441 PolarHBondContact O-N 2.93Å; V441-Y444 PolarHBondContact O-N 3Å; V441-G445 PolarHBondContact O-N 2.72Å
442	R	91.4	Very high	86.1	Confident	145 Å²	145	72.6 Å²	72.6	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-48.2	176	-72.2	174.5	178.4	-178.7	-4.3	112	R438 D439 R440 Y444 G445 L446 N465	R438-R442 WeakPolarHBondContact O-CG 3.47Å; R438-R442 PolarHBondContact O-N 3.42Å; D439-R442 PolarHBondContact O-N 3.22Å; R440-R442 VanDerWaalsContact C-N 3.29Å; R440-R442 PolarHBondContact O-N 2.93Å; R442-Y444 VanDerWaalsContact C-N 3.29Å; R442-Y444 PolarHBondContact O-N 3.19Å; R442-G445 PolarHBondContact O-N 2.91Å; R442-L446 WeakPolarHBondContact O-CG 3.36Å; R442-L446 PolarHBondContact O-N 3.28Å; R442-N465 WeakPolarHBondContact CB-OD1 3.21Å; R442-N465 WeakPolarHBondContact CD-OD1 3.24Å
443	L	92.2	Very high	87.3	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-41.3	176.7	-74.3	168.9	0	0	0	111.3	F315 M373 D439 R440 L446 V447 V462 N465	F315-L443 HydrophobicContact CD1-CD2 4.29Å; F315-L443 HydrophobicContact CE1-CB 4.31Å; F315-L443 HydrophobicContact CE1-CD1 3.97Å; F315-L443 HydrophobicContact CE1-CD2 3.87Å; F315-L443 HydrophobicContact CE1-CG 4.28Å; F315-L443 HydrophobicContact CZ-CD1 4.11Å; F315-L443 HydrophobicContact CZ-CD2 4.11Å; M373-L443 HydrophobicContact CE-CB 3.45Å; M373-L443 VanDerWaalsContact CE-CB 3.45Å; D439-L443 WeakPolarHBondContact O-CB 3.42Å; D439-L443 VanDerWaalsContact O-CG 3.3Å; D439-L443 WeakPolarHBondContact O-CG 3.44Å; D439-L443 PolarHBondContact O-N 2.88Å; R440-L443 PolarHBondContact O-N 3.25Å; L443-L446 PolarHBondContact O-N 3.46Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.16Å; L443-V462 HydrophobicContact CD2-CB 4.43Å; L443-V462 HydrophobicContact CD2-CG1 3.82Å; L443-N465 HydrophobicContact CD1-CB 4.49Å; L443-N465 HydrophobicContact CD2-CB 3.65Å; L443-N465 HydrophobicContact CG-CB 3.79Å
444	Y	92.1	Very high	88.5	Confident	82 Å²	82	72.1 Å²	72.1	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-51	175	178.4	-91.1	0	0	0	110.6	M373 L374 R440 V441 R442 L446 V447 E448	M373-Y444 HydrophobicContact CG-CD2 4.48Å; M373-Y444 VanDerWaalsContact O-CD2 3.3Å; M373-Y444 WeakPolarHBondContact O-CD2 3.47Å; L374-Y444 HydrophobicContact CD2-CE2 4.5Å; R440-Y444 WeakPolarHBondContact O-CB 3.38Å; R440-Y444 PolarHBondContact O-N 3.37Å; V441-Y444 PolarHBondContact O-N 3Å; R442-Y444 VanDerWaalsContact C-N 3.29Å; R442-Y444 PolarHBondContact O-N 3.19Å; Y444-L446 VanDerWaalsContact C-N 3.27Å; Y444-L446 PolarHBondContact O-N 3.21Å; Y444-V447 PolarHBondContact O-N 3.42Å; Y444-V447 VanDerWaalsContact O-N 3.15Å; Y444-E448 HydrophobicContact CE1-CB 4.3Å; Y444-E448 WeakPolarHBondContact CE1-OE2 3.38Å; Y444-E448 WeakPolarHBondContact O-CB 3.38Å; Y444-E448 PolarHBondContact O-N 3.32Å
445	G	94	Very high	89.6	Confident	23 Å²	23	70.2 Å²	70.2	24%	0.237	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-34.6	178.6	0	0	0	0	0	113.1	V441 R442 T449	V441-G445 PolarHBondContact O-N 2.72Å; R442-G445 PolarHBondContact O-N 2.91Å; G445-T449 WeakPolarHBondContact O-CB 3.41Å; G445-T449 WeakPolarHBondContact O-CG2 3.38Å; G445-T449 PolarHBondContact O-N 3.33Å; G445-T449 PolarHBondContact O-OG1 3.26Å
446	L	95	Very high	90.6	Very high	17 Å²	17	65.4 Å²	65.4	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-43.7	174.4	-70.4	175.3	0	0	0	112.2	R442 L443 Y444 T449 Y450 H458 A461 V462 N465	R442-L446 WeakPolarHBondContact O-CG 3.36Å; R442-L446 PolarHBondContact O-N 3.28Å; L443-L446 PolarHBondContact O-N 3.46Å; Y444-L446 VanDerWaalsContact C-N 3.27Å; Y444-L446 PolarHBondContact O-N 3.21Å; L446-T449 CarbonylContact O-C 3.58Å; L446-T449 PolarHBondContact O-N 2.86Å; L446-Y450 PolarHBondContact O-N 3.41Å; L446-Y450 VanDerWaalsContact O-N 3.11Å; L446-H458 PolarHBondContact O-CE1 3.48Å; L446-A461 HydrophobicContact CD1-CB 3.95Å; L446-A461 WeakPolarHBondContact CD1-O 3.46Å; L446-A461 HydrophobicContact CD2-CB 3.67Å; L446-A461 HydrophobicContact CG-CB 4.46Å; L446-V462 HydrophobicContact CB-CG2 4.24Å; L446-V462 HydrophobicContact CD1-CG2 4.06Å; L446-N465 WeakPolarHBondContact CD1-ND2 3.4Å
447	V	94.1	Very high	91.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-47.5	176.9	168.1	0	0	0	0	111	F315 Y370 M373 L374 L443 Y444 T449 Y450	F315-V447 HydrophobicContact CB-CG2 4.05Å; F315-V447 HydrophobicContact CD1-CG2 4.07Å; Y370-V447 HydrophobicContact CD2-CG1 3.57Å; Y370-V447 HydrophobicContact CD2-CG2 4.46Å; Y370-V447 HydrophobicContact CE2-CB 4.46Å; Y370-V447 HydrophobicContact CE2-CG1 3.54Å; Y370-V447 HydrophobicContact CG-CG1 4.27Å; M373-V447 HydrophobicContact CB-CG1 4.39Å; M373-V447 HydrophobicContact CB-CG2 4.44Å; M373-V447 HydrophobicContact CG-CB 4.48Å; M373-V447 HydrophobicContact CG-CG2 4.24Å; L374-V447 HydrophobicContact CD1-CG1 4.26Å; L374-V447 HydrophobicContact CD2-CG1 3.7Å; L374-V447 HydrophobicContact CG-CG1 3.63Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.16Å; Y444-V447 PolarHBondContact O-N 3.42Å; Y444-V447 VanDerWaalsContact O-N 3.15Å; V447-T449 VanDerWaalsContact C-N 3.27Å; V447-T449 PolarHBondContact O-N 3.22Å; V447-Y450 VanDerWaalsContact O-CB 3.26Å; V447-Y450 WeakPolarHBondContact O-CB 3.2Å; V447-Y450 PolarHBondContact O-N 3.41Å; V447-Y450 VanDerWaalsContact O-N 3.16Å
448	E	94.4	Very high	92.8	Very high	118 Å²	118	65.2 Å²	65.2	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-60.2	-37.2	177.9	-176.1	180	-142.4	0	0	112	L374 Y444	L374-E448 HydrophobicContact CD2-CB 4.33Å; Y444-E448 HydrophobicContact CE1-CB 4.3Å; Y444-E448 WeakPolarHBondContact CE1-OE2 3.38Å; Y444-E448 WeakPolarHBondContact O-CB 3.38Å; Y444-E448 PolarHBondContact O-N 3.32Å
449	T	94.4	Very high	93.4	Very high	54 Å²	54	58.6 Å²	58.6	33%	0.331	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	22.8	179.2	63.5	0	0	0	0	113.2	G445 L446 V447 R451 S452 R453	G445-T449 WeakPolarHBondContact O-CB 3.41Å; G445-T449 WeakPolarHBondContact O-CG2 3.38Å; G445-T449 PolarHBondContact O-N 3.33Å; G445-T449 PolarHBondContact O-OG1 3.26Å; L446-T449 CarbonylContact O-C 3.58Å; L446-T449 PolarHBondContact O-N 2.86Å; V447-T449 VanDerWaalsContact C-N 3.27Å; V447-T449 PolarHBondContact O-N 3.22Å; T449-R451 VanDerWaalsContact C-N 3.27Å; T449-R451 PolarHBondContact O-N 3.07Å; T449-R451 VanDerWaalsContact O-N 3.16Å; T449-S452 WeakPolarHBondContact O-CB 3.25Å; T449-S452 PolarHBondContact O-N 3.3Å; T449-S452 PolarHBondContact O-OG 3.4Å; T449-R453 PolarHBondContact O-NH1 3.49Å; T449-R453 PolarHBondContact OG1-NH1 2.82Å
450	Y	94.4	Very high	94.1	Very high	15 Å²	15	62 Å²	62	6%	0.059	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-47	-48	-177.2	167.8	-99.4	0	0	0	112.8	M316 P317 H320 Y370 L446 V447 S452 R453 H458	M316-Y450 HydrophobicContact CB-CD2 4.39Å; M316-Y450 HydrophobicContact CB-CE2 3.85Å; M316-Y450 HydrophobicContact CE-CE2 4.46Å; P317-Y450 HydrophobicContact CG-CD1 3.78Å; P317-Y450 HydrophobicContact CG-CE1 3.76Å; P317-Y450 HydrophobicContact CG-CG 4.26Å; H320-Y450 AromaticContact CE1-CE1 3.63Å; H320-Y450 AromaticContact ND1-CE1 3.21Å; H320-Y450 WeakPolarHBondContact ND1-CE1 3.4Å; H320-Y450 AromaticContact ND1-CZ 3.46Å; H320-Y450 PolarHBondContact ND1-OH 3.06Å; H320-Y450 VanDerWaalsContact ND1-OH 3.07Å; Y370-Y450 HydrophobicContact CE2-CG 4.47Å; L446-Y450 PolarHBondContact O-N 3.41Å; L446-Y450 VanDerWaalsContact O-N 3.11Å; V447-Y450 VanDerWaalsContact O-CB 3.26Å; V447-Y450 WeakPolarHBondContact O-CB 3.2Å; V447-Y450 PolarHBondContact O-N 3.41Å; V447-Y450 VanDerWaalsContact O-N 3.16Å; Y450-S452 PolarHBondContact O-N 3.25Å; Y450-S452 VanDerWaalsContact O-N 3.11Å; Y450-R453 PolarHBondContact O-N 3.46Å; Y450-H458 HydrophobicContact CD2-CB 4.3Å; Y450-H458 AromaticContact CD2-CD2 3.53Å; Y450-H458 AromaticContact CD2-CE1 3.77Å; Y450-H458 AromaticContact CD2-CG 3.6Å; Y450-H458 AromaticContact CD2-ND1 3.79Å; Y450-H458 AromaticContact CD2-NE2 3.62Å; Y450-H458 HydrophobicContact CE2-CB 4.43Å; Y450-H458 AromaticContact CE2-CD2 3.78Å
451	R	94	Very high	94.8	Very high	191 Å²	191	60.6 Å²	60.6	72%	0.721	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69.8	-6.3	-176.9	-62.5	-170.4	-177.9	-85.2	-2.3	114.8	T449 R453	T449-R451 VanDerWaalsContact C-N 3.27Å; T449-R451 PolarHBondContact O-N 3.07Å; T449-R451 VanDerWaalsContact O-N 3.16Å; R451-R453 VanDerWaalsContact C-N 3.35Å
452	S	94.3	Very high	95.2	Very high	84 Å²	84	56 Å²	56	59%	0.587	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-86.6	-3.4	178.9	70.5	0	0	0	0	114.1	T449 Y450	T449-S452 WeakPolarHBondContact O-CB 3.25Å; T449-S452 PolarHBondContact O-N 3.3Å; T449-S452 PolarHBondContact O-OG 3.4Å; Y450-S452 PolarHBondContact O-N 3.25Å; Y450-S452 VanDerWaalsContact O-N 3.11Å
453	R	94.6	Very high	95.5	Very high	90 Å²	90	49.1 Å²	49.1	34%	0.34	24%	0.241	S	C	.	.	S	Bend	trans	-128.8	157.1	-176.4	-67	179.4	-171.8	76.4	7.3	110.1	T449 Y450 R451 E457 H458	T449-R453 PolarHBondContact O-NH1 3.49Å; T449-R453 PolarHBondContact OG1-NH1 2.82Å; Y450-R453 PolarHBondContact O-N 3.46Å; R451-R453 VanDerWaalsContact C-N 3.35Å; R453-E457 HydrophobicContact CB-CB 3.97Å; R453-E457 HydrophobicContact CG-CB 4.47Å; R453-H458 HydrophobicContact CB-CB 4.41Å
454	T	96.6	Very high	95.6	Very high	83 Å²	83	53.9 Å²	53.9	51%	0.509	26%	0.262	S	S	.	.			trans	-62.6	157.3	161.3	63.8	0	0	0	0	110.1	V456 E457 H458	T454-V456 VanDerWaalsContact C-N 3.29Å; T454-V456 PolarHBondContact O-N 3.1Å; T454-E457 WeakPolarHBondContact CB-OE2 3.43Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.44Å; T454-E457 PolarHBondContact N-OE2 2.97Å; T454-E457 PolarHBondContact O-N 2.89Å; T454-E457 VanDerWaalsContact O-N 3.17Å; T454-E457 WeakPolarHBondContact OG1-CB 3.45Å; T454-E457 WeakPolarHBondContact OG1-CG 3.43Å; T454-E457 PolarHBondContact OG1-N 3.38Å; T454-E457 PolarHBondContact OG1-OE2 2.9Å; T454-H458 PolarHBondContact O-N 3.15Å
455	I	96.9	Very high	95.6	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-53.4	-47.1	178	-74.4	175.4	0	0	0	111.4	E323 E327 E457 H458 L459	E323-I455 HydrophobicContact CB-CD1 3.94Å; E323-I455 HydrophobicContact CG-CD1 3.47Å; E323-I455 VanDerWaalsContact CG-CD1 3.47Å; E327-I455 HydrophobicContact CB-CG2 4.14Å; I455-E457 PolarHBondContact O-N 2.7Å; I455-H458 PolarHBondContact O-N 3.43Å; I455-L459 HydrophobicContact CG2-CD1 4.06Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 2.77Å
456	V	97.5	Very high	95.4	Very high	18 Å²	18	51.2 Å²	51.2	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-40.9	-179.1	175.1	0	0	0	0	111.6	M309 E327 V331 T454 R460	M309-V456 HydrophobicContact CE-CG1 3.95Å; E327-V456 HydrophobicContact CB-CG2 3.98Å; V331-V456 HydrophobicContact CG1-CG1 4.38Å; V331-V456 HydrophobicContact CG1-CG2 4.27Å; V331-V456 HydrophobicContact CG2-CG1 3.93Å; V331-V456 HydrophobicContact CG2-CG2 4.11Å; T454-V456 VanDerWaalsContact C-N 3.29Å; T454-V456 PolarHBondContact O-N 3.1Å; V456-R460 VanDerWaalsContact O-CB 3.27Å; V456-R460 WeakPolarHBondContact O-CB 3.43Å; V456-R460 PolarHBondContact O-N 2.89Å
457	E	97.6	Very high	95.1	Very high	95 Å²	95	55.5 Å²	55.5	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-40.7	175.7	-75.5	168.1	146.3	0	0	111.9	R453 T454 I455 A461	R453-E457 HydrophobicContact CB-CB 3.97Å; R453-E457 HydrophobicContact CG-CB 4.47Å; T454-E457 WeakPolarHBondContact CB-OE2 3.43Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.44Å; T454-E457 PolarHBondContact N-OE2 2.97Å; T454-E457 PolarHBondContact O-N 2.89Å; T454-E457 VanDerWaalsContact O-N 3.17Å; T454-E457 WeakPolarHBondContact OG1-CB 3.45Å; T454-E457 WeakPolarHBondContact OG1-CG 3.43Å; T454-E457 PolarHBondContact OG1-N 3.38Å; T454-E457 PolarHBondContact OG1-OE2 2.9Å; I455-E457 PolarHBondContact O-N 2.7Å; E457-A461 WeakPolarHBondContact O-CB 3.27Å; E457-A461 PolarHBondContact O-N 2.76Å
458	H	97.6	Very high	94.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-53.6	175	179.5	72.8	0	0	0	111.5	F315 L446 Y450 R453 T454 I455 R460 A461 V462	F315-H458 PolarHBondContact O-NE2 2.97Å; L446-H458 PolarHBondContact O-CE1 3.48Å; Y450-H458 HydrophobicContact CD2-CB 4.3Å; Y450-H458 AromaticContact CD2-CD2 3.53Å; Y450-H458 AromaticContact CD2-CE1 3.77Å; Y450-H458 AromaticContact CD2-CG 3.6Å; Y450-H458 AromaticContact CD2-ND1 3.79Å; Y450-H458 AromaticContact CD2-NE2 3.62Å; Y450-H458 HydrophobicContact CE2-CB 4.43Å; Y450-H458 AromaticContact CE2-CD2 3.78Å; R453-H458 HydrophobicContact CB-CB 4.41Å; T454-H458 PolarHBondContact O-N 3.15Å; I455-H458 PolarHBondContact O-N 3.43Å; H458-R460 VanDerWaalsContact C-N 3.28Å; H458-R460 PolarHBondContact O-N 3.11Å; H458-A461 PolarHBondContact O-N 2.92Å; H458-A461 VanDerWaalsContact O-N 3.12Å; H458-V462 WeakPolarHBondContact O-CG2 3.42Å; H458-V462 PolarHBondContact O-N 2.86Å
459	L	97.7	Very high	94	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-41.4	179.7	-65.8	175.6	0	0	0	111.6	M309 S312 L313 M316 L328 I455 A463	M309-L459 HydrophobicContact CB-CB 4.33Å; M309-L459 HydrophobicContact CE-CB 4.09Å; M309-L459 HydrophobicContact CG-CB 4.44Å; S312-L459 WeakPolarHBondContact CB-O 3.45Å; S312-L459 PolarHBondContact OG-O 3.03Å; L313-L459 HydrophobicContact CD2-CD1 3.91Å; L313-L459 HydrophobicContact CD2-CD2 3.91Å; L313-L459 HydrophobicContact CG-CD2 4.33Å; M316-L459 HydrophobicContact SD-CD2 4.08Å; L328-L459 HydrophobicContact CB-CD1 4.19Å; L328-L459 HydrophobicContact CD1-CD1 4.27Å; L328-L459 HydrophobicContact CD2-CD1 4.32Å; L328-L459 HydrophobicContact CG-CD1 4.5Å; I455-L459 HydrophobicContact CG2-CD1 4.06Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 2.77Å; L459-A463 VanDerWaalsContact O-CB 3.28Å; L459-A463 WeakPolarHBondContact O-CB 3.23Å; L459-A463 PolarHBondContact O-N 3.38Å
460	R	97.7	Very high	94	Very high	105 Å²	105	57 Å²	57	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-44.4	176.1	-169.5	-178.5	-62	135.5	0.1	111.7	I305 M309 V456 H458 V462 A463 H464	I305-R460 HydrophobicContact CG2-CG 4.32Å; M309-R460 HydrophobicContact CE-CB 4.04Å; M309-R460 HydrophobicContact CG-CB 4.5Å; M309-R460 HydrophobicContact SD-CB 4.04Å; M309-R460 HydrophobicContact SD-CG 4.28Å; V456-R460 VanDerWaalsContact O-CB 3.27Å; V456-R460 WeakPolarHBondContact O-CB 3.43Å; V456-R460 PolarHBondContact O-N 2.89Å; H458-R460 VanDerWaalsContact C-N 3.28Å; H458-R460 PolarHBondContact O-N 3.11Å; R460-V462 VanDerWaalsContact C-N 3.35Å; R460-V462 PolarHBondContact O-N 3.45Å; R460-A463 WeakPolarHBondContact O-CB 3.17Å; R460-A463 PolarHBondContact O-N 3.33Å; R460-H464 PolarHBondContact O-CD2 2.93Å; R460-H464 PolarHBondContact O-N 3.45Å
461	A	97.1	Very high	94	Very high	22 Å²	22	59.2 Å²	59.2	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-44.2	178.7	0	0	0	0	0	111.4	L446 E457 H458 H464 N465	L446-A461 HydrophobicContact CD1-CB 3.95Å; L446-A461 WeakPolarHBondContact CD1-O 3.46Å; L446-A461 HydrophobicContact CD2-CB 3.67Å; L446-A461 HydrophobicContact CG-CB 4.46Å; E457-A461 WeakPolarHBondContact O-CB 3.27Å; E457-A461 PolarHBondContact O-N 2.76Å; H458-A461 PolarHBondContact O-N 2.92Å; H458-A461 VanDerWaalsContact O-N 3.12Å; A461-H464 PolarHBondContact O-N 2.99Å; A461-N465 PolarHBondContact O-ND2 3.4Å
462	V	96.3	Very high	94	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-44.8	175.1	173.9	0	0	0	0	110.4	S312 F315 L443 L446 H458 R460 H464 N465 F466	S312-V462 WeakPolarHBondContact OG-CG1 3.39Å; F315-V462 HydrophobicContact CB-CG1 3.79Å; F315-V462 HydrophobicContact CB-CG2 4.08Å; F315-V462 HydrophobicContact CD1-CG1 4.18Å; F315-V462 HydrophobicContact CD2-CG1 3.32Å; F315-V462 HydrophobicContact CE2-CG1 3.73Å; F315-V462 HydrophobicContact CG-CG1 3.53Å; F315-V462 HydrophobicContact CZ-CG1 4.32Å; L443-V462 HydrophobicContact CD2-CB 4.43Å; L443-V462 HydrophobicContact CD2-CG1 3.82Å; L446-V462 HydrophobicContact CB-CG2 4.24Å; L446-V462 HydrophobicContact CD1-CG2 4.06Å; H458-V462 WeakPolarHBondContact O-CG2 3.42Å; H458-V462 PolarHBondContact O-N 2.86Å; R460-V462 VanDerWaalsContact C-N 3.35Å; R460-V462 PolarHBondContact O-N 3.45Å; V462-H464 PolarHBondContact O-N 2.84Å; V462-H464 VanDerWaalsContact O-N 3.09Å; V462-N465 PolarHBondContact O-N 3.08Å; V462-F466 HydrophobicContact CG1-CD1 4.46Å; V462-F466 HydrophobicContact CG1-CE1 4.01Å; V462-F466 VanDerWaalsContact O-CD1 3.32Å; V462-F466 WeakPolarHBondContact O-CD1 3.37Å
463	A	96.5	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-21.8	177.9	0	0	0	0	0	114.5	R308 M309 S312 L459 R460 N465	R308-A463 HydrophobicContact CB-CB 3.67Å; R308-A463 PolarHBondContact NE-O 3.01Å; M309-A463 HydrophobicContact CG-CB 3.78Å; S312-A463 PolarHBondContact OG-N 2.83Å; L459-A463 VanDerWaalsContact O-CB 3.28Å; L459-A463 WeakPolarHBondContact O-CB 3.23Å; L459-A463 PolarHBondContact O-N 3.38Å; R460-A463 WeakPolarHBondContact O-CB 3.17Å; R460-A463 PolarHBondContact O-N 3.33Å; A463-N465 VanDerWaalsContact C-N 3.33Å
464	H	94.8	Very high	93.9	Very high	113 Å²	113	47.4 Å²	47.4	52%	0.523	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	174.1	-78.3	-70.1	0	0	0	114.2	R460 A461 V462	R460-H464 PolarHBondContact O-CD2 2.93Å; R460-H464 PolarHBondContact O-N 3.45Å; A461-H464 PolarHBondContact O-N 2.99Å; V462-H464 PolarHBondContact O-N 2.84Å; V462-H464 VanDerWaalsContact O-N 3.09Å
465	N	92.1	Very high	93.7	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	22%	0.216	C	C	.	.	S	Bend	trans	-108.2	6.6	-170.3	-72.5	-82.8	0	0	0	114.3	R442 L443 L446 A461 V462 A463	R442-N465 WeakPolarHBondContact CB-OD1 3.21Å; R442-N465 WeakPolarHBondContact CD-OD1 3.24Å; L443-N465 HydrophobicContact CD1-CB 4.49Å; L443-N465 HydrophobicContact CD2-CB 3.65Å; L443-N465 HydrophobicContact CG-CB 3.79Å; L446-N465 WeakPolarHBondContact CD1-ND2 3.4Å; A461-N465 PolarHBondContact O-ND2 3.4Å; V462-N465 PolarHBondContact O-N 3.08Å; A463-N465 VanDerWaalsContact C-N 3.33Å
466	F	89.6	Confident	93.5	Very high	25 Å²	25	46.9 Å²	46.9	11%	0.11	22%	0.224	C	C	.	.			trans	-149	165.5	171.2	70.9	-83.7	0	0	0	111.7	F277 R308 A311 F315 V462 M468	F277-F466 HydrophobicContact CE1-CD2 4.05Å; F277-F466 HydrophobicContact CE1-CE2 4.33Å; F277-F466 HydrophobicContact CE1-CG 4.29Å; F277-F466 HydrophobicContact CZ-CD2 4.01Å; F277-F466 HydrophobicContact CZ-CE1 4.4Å; F277-F466 AromaticContact CZ-CE2 3.83Å; F277-F466 HydrophobicContact CZ-CE2 3.83Å; F277-F466 HydrophobicContact CZ-CG 4.37Å; F277-F466 HydrophobicContact CZ-CZ 4.04Å; R308-F466 HydrophobicContact CB-CE2 4.35Å; R308-F466 HydrophobicContact CB-CZ 4.04Å; R308-F466 WeakPolarHBondContact CD-O 3.39Å; R308-F466 HydrophobicContact CG-CE2 4.2Å; R308-F466 HydrophobicContact CG-CZ 4.39Å; R308-F466 PolarHBondContact NE-O 3.46Å; R308-F466 WeakPolarHBondContact O-CZ 3.31Å; A311-F466 HydrophobicContact CB-CE2 3.88Å; A311-F466 HydrophobicContact CB-CZ 3.68Å; F315-F466 HydrophobicContact CE2-CD1 4.43Å; F315-F466 HydrophobicContact CE2-CE1 4.21Å; V462-F466 HydrophobicContact CG1-CD1 4.46Å; V462-F466 HydrophobicContact CG1-CE1 4.01Å; V462-F466 VanDerWaalsContact O-CD1 3.32Å; V462-F466 WeakPolarHBondContact O-CD1 3.37Å; F466-M468 HydrophobicContact CD2-CG 4.49Å; F466-M468 HydrophobicContact CE2-CG 3.98Å
467	L	88.8	Confident	93.2	Very high	106 Å²	106	49.2 Å²	49.2	56%	0.555	23%	0.233	S	C	*	.			trans	-120.9	149.2	170.6	-64.1	176.2	0	0	0	109.3
468	M	88.7	Confident	92.8	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.02	22%	0.216	C	C	.	.			trans	-89.4	108.8	172.1	-58.3	-171.3	-71.1	0	0	108.3	A281 L284 K285 L288 Y297 A307 R308 A311 F466	A281-M468 HydrophobicContact CB-CG 4.17Å; L284-M468 HydrophobicContact CB-SD 4.17Å; K285-M468 HydrophobicContact CB-CB 4.35Å; K285-M468 HydrophobicContact CD-CB 4.28Å; K285-M468 WeakPolarHBondContact CD-O 3.27Å; K285-M468 PolarHBondContact NZ-O 3.14Å; L288-M468 HydrophobicContact CD1-CE 3.75Å; Y297-M468 HydrophobicContact CD2-CE 4.26Å; Y297-M468 HydrophobicContact CE2-CE 3.42Å; Y297-M468 VanDerWaalsContact CE2-CE 3.42Å; A307-M468 HydrophobicContact CB-CE 3.88Å; R308-M468 HydrophobicContact CG-CE 4.01Å; R308-M468 HydrophobicContact CG-CG 4.19Å; A311-M468 HydrophobicContact CB-SD 4.03Å; F466-M468 HydrophobicContact CD2-CG 4.49Å; F466-M468 HydrophobicContact CE2-CG 3.98Å
469	H	77.1	Confident	92.4	Very high	142 Å²	142	49.4 Å²	49.4	66%	0.657	24%	0.235	S	C	*	.			trans	-84.6	0	-176.5	-70.4	-60.1	0	0	0	113.2	F278 K285	F278-H469 HydrophobicContact CE2-CB 4.03Å; K285-H469 VanDerWaalsContact NZ-C 3.32Å; K285-H469 PolarHBondContact NZ-OXT 3.23Å

Retrieved 469 of 469 residues in 470.5 ms (Link to these results)

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